Acta Crystallographica Section A
Acta Crystallographica
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Volume 73| Part a2

ISSN: 2053-2733

December 2017 issue

Abstracts of the XXIV IUCr Congress

Hyderabad, India, 21-28 August 2017

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Crystallography, structural biology and drug design

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Soft and dynamic properties of PCPs and MOFs

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Imaging protein dynamics with an X-ray laser

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Contribution of crystallography to the preservation of art and cultural heritage

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X-ray absorption spectroscopy and chemical speciation: from archaeology to biology

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Making crystals with a purpose

D. Braga, F. Grepioni, L. Maini and S. D'Agostino

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Soft quasicrystals

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Structure and mechanism of respiratory complex I

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Structure and properties of materials by solid-state nuclear magnetic resonance

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Total scattering study of chaotic/statistical microstructure with traditional crystallographic tools

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Virulence factors and host defenses to viral infection

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Pharmaceutical solids in crystal engineering

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Magnetic degrees of freedom in emerging materials

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Taking snapshots of photosynthetic water oxidation with an X-ray laser

V. Yachandra, J. Kern, A. Zouni, J. Messinger, U. Bergmann, R. Alonso-Mori, P. Wernet, N. Sauter and J. Yano

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Stochastic polarity formation: molecular crystals, composite materials and natural tissues

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Charge density as a powerful tool to predict reactivity

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Two decades of proteasome research: from structure to application

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Molecular organisation: working with molecules on the nanoscale

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Indian geometric patterns, compared to Persian and Moroccan styles

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Small-angle X-ray scattering for biological macromolecules

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Topological approach for the design of new materials

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The science is in the data

J. R. Helliwell

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Targeting the Helicobacter pylori urea channel and urease

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Unexpected, unusual and unpredictable solid-state properties

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Progress in laser-driven high-pressure methodology and applications

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Ligand legends

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In situ views of classical versus non-classical pathways of nucleation

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Complexity of crystal structures and properties of thermoelectric materials

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Structural study of ssRNA sensing TLRs in innate immune system

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Magnetic and electric anisotropy in molecular crystals

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The nanostructure problem: challenges, progress, opportunities

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High-pressure science: the emerging role of X-ray absorption spectroscopies

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Applications of Curie symmetry principle in molecular ferroelectrics

R.-G. Xiong, D.-W. Fu and Yi Zhang

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Crystallographic rationale for the formation of twinned crystals

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Crystallographic tools towards understanding of macromolecular structure–function relationships

W. Minor, P. Porebski, I. Shabalin and H. Zheng

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The halogen bond in crystal chemistry and beyond

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Resolution advances in cryo-EM enable application to drug discovery

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In situ/operando neutron and X-ray studies of functional materials

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Metal oxides: crystallographic characterizations for high-temperature electrochemistry applications

A. Serquis, F. R. Napolitano, A. L. Soldati, A. F. Zuvich, L. C. Baque, M. D. Arce, L. V. Mogni, J. F. Basbús, H. Troiani and M. Saleta

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Solving complex structures by electron crystallography: from inorganics to proteins

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From electron crystallography to single-particle cryo-EM

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Experiments in electron microscopy: from metals to nerves

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Structural elucidation of supramolecular complexes in immunity

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Macromolecular structure determination using X-ray FELs

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Small-molecule ligand/drug representation and validation in the Protein Data Bank

G. Kurisu, S. K. Burley, J. L. Markley, H. Nakamura and S. Velankar

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Mogul: a tool to analyze protein-bound ligand structures

S. Sekharan, J. Cole, A. Sarjeant and C. Groom

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The impact of crystallisation conditions on structure-based drug design

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Polder maps: improving OMIT maps for ligand building and validation

D. C. Liebschner, N. Moriarty, P. Afonine, B. Poon, O. Sobolev and P. Adams

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Correcting the record – cofactor binding of human pyrroline-5-carboxylate reductase

K. L. Krause, E. M. Christensen, S. M. Patel, D. A. Korasick, A. C. Campbell, D. F. Becker and J. J. Tanner

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Structure-based drug designing against plasmepsins from Plasmodium falciparum

V. Mishra, I. Rathore, A. Arekar, H. Xiao, R. Yada, A. Wlodawer, A. Gustchina, K. Hidaka and P. Bhaumik

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Multicomponent metal–organic frameworks

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New materials from the packing and linking of supramolecular nanoballs

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Harnessing the knowledge of metal–organic frameworks

P. A. Wood, P. Moghadam, A. Li, S. Wiggin, A. Tao, A. Maloney, S. Ward and D. Fairen-Jimenez

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Some titanium phosphates as host materials: a crystallographic perspective

S. Garcia-Granda, J. García-Glez, C. Trobajo, Z. Amghouz, S. A. Khainakov, C. O. Ania, J. B. Parra, A. A. Babaryk, I. da Silva and G. R. Castro

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Strategies for the design of functional MOFs: addressing energy-intensive separations

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Effect of crystallographic features on tableting behaviour of pharmaceutical actives

A. Bansal and K. S. Khomane

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Correspondence between crystal structures and tabletability in nitrofurantoin co-crystals

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Aggregate elasticity and compaction performance: powder Brillouin light scattering

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Synergistic enhancement of tabletability and physicochemical properties through co-crystallization

S. Aitipamula and P. Kanaujia

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Synthonic molecular modelling of pentaerythritol and pentaerythritol tetranitrate slip systems

S. F. Ibrahim, V. Ramachandran and K. Roberts

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Impact of microstructure on compaction behaviour of aspirin–paracetamol eutectic system

S. S. Zode, H. Jain, K. S. Khomane and A. K. Bansal

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From low-dose in-line electron holography to atomic resolution tomography

F.-R. Chen, D. Van Dyck and C. Kisielowski

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Investigation of layered and porous nanomaterials by electron diffraction tomography

Y. Krysiak, H. Zhao, B. Barton, J. Senker, R. B. Neder and U. Kolb

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Determination of very beam-sensitive zeolite ITQ-57 by energy-filtered Timepix data

E. Mugnaioli, M. Gemmi, J. David, P. J. Bereciartua, J. L. Jorda, F. Rey, E. M. Diaz-Canales and M. J. Diaz-Cabañas

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Accurate determination of crystal orientation from rotation electron diffraction data

B. Wang, S. Hovmöller, X. Zou and W. Wan

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Electron crystallography of protein nano-crystals

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Solving an unknown phase in an HP/HT Sr–Cu–Ge–O sample

H. Klein, R. Philippe, S. Kodjikian, L. Ding, C. V. Colin, C. Darie and P. Bordet

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Anomalously large magnetoresistance in an antiferromagnet

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The automated XPDF beamline at Diamond Light Source

P. A. Chater, D. Keeble, M. Wharmby, T. Spain, J. Filik and H. Wilhelm

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Local structure of Bi₄TaO₈Cl nanophotocatalyst by NPDF analysis

N. G. Sundaram, S. S. M Bhat, M. Feygenson, D. . Swain and A. Misra

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Local structure of dielectric framework materials

A. Phillips, H. Duncan, M. Dove, D. Keen and M. Tucker

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Local structure study during hydrogenation by time-resolved X-ray total scattering

A. Machida, N. Maejima, T. Watanuki, H. Kim, K. Sakaki and Y. Nakamura

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Multilevel topological analysis in application to design of coordination networks

E. V. Alexandrov, A. P. Shevchenko, V. A. Blatov and D. M. Proserpio

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Theoretical and experimental screening methods for functional materials design

M. Dunstan, C. Lau, C. Kocer, W. Hu, J. Dennis, A. Morris, S. Scott and C. Grey

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Microscopic mechanisms of the pressure-induced amorphization of SiO₂

S. Scandolo, Y. Liang and C. Miranda

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Ab initio lattice dynamics for materials design and characterisation

J. M. Skelton, P. Raithby, A. Walsh and S. Parker

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Uranium phase diagram built using machine learning interatomic potential

I. Kruglov, A. Yanilkin, O. Sergeev and A. Oganov

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A cognitive computing environment for materials research

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Symmetry classification of modular structures with groupoid families

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From anion-centered tetrahedra to modular chemistry of Bi/La oxysalts

M. Colmont, M. Huvé, P. Roussel and O. Mentré

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Hydrocerussite puzzle

O. Siidra, D. Nekrasova, A. Zaitsev, R. Turner, M. Rumsey, I. Pekov, N. Chukanov, S. Krivovichev and E. Jonsson

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Multidimensional structural variation in the cyanotrichite family of merotypes

S. J. Mills, A. Christy and G. Favreau

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Modular crystallography of novel copper selenites and selenates: experimental mineralogy

V. M. Kovrugin, M. Colmont, O. Mentré, O. I. Siidra and S. V. Krivovichev

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Layered tellurite chlorides obtained by CVT: simple way for complex structures

D. O. Nekrasova, O. Siidra, R. Kayukov, D. Charkin and E. Nazarchuk

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Structural variations of uranium compounds with nitrate anions

A. I. Zadoya, O. I. Siidra and E. V. Nazarchuk

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Bilayered crystal of magnetic monopoles and multiferroicity in spin ice

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Some topics in structural change on magnetic order

T. Kamiyama, S. Lee, P. Miao, S. Torii, Y. Endoh, M. Yonemura, Y. Ishikawa, S. Ohnuma, T. Masumoto and K. Sugawara

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Premartensitic and martensitic phase transitions in magnetic shape-memory alloys

S. Singh and D. Pandey

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Understanding multiferroicity in the new (ND4)₂FeCl₅(D₂O) molecular magnet

J. Campo, J. A. Rodriguez Velamazan, O. Fabelo, A. Millan and L. Chapon

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Unconventional magnetic order in GeFe₂O₄

G. Perversi, A. M. Arevalo-Lopez, C. Ritter and J. P. Attfield

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Magnetic phase diagram of Mn(Ru–Rh)As – magnetoelastic and electronic properties

D. Szymański, J. Toboła, R. Zach, W. Chajec, R. Duraj, S. Baran, E. K. Hlil and D. Fruchart

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How do oxygenases catalyze a variety of reactions?

S. Ramaswamy, S. Syed, D. J. Ferraro and E. N. Brown

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Time-resolved XFEL crystallography and spectroscopy of cytochrome c oxidase

M. Kubo, A. Shimada, S. Baba, K. Yamashita, K. Hirata, K. Shinzawa-Itoh, M. Yamamoto, H. Ago, S. Yoshikawa and T. Tsukihara

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Validation of a 96-fragment library for crystallographic screening

A. Heine, C. Siefker, N. Abazi, S. Glöckner, N. Bertoletti, E. Hassaan, F. Magari, A. Metz, M. S. Weiss and G. Klebe

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Proton-transfer inhibition by molecular anion substitutions in Photosystem II

Y. Umena, S. Tamaru and J.-R. Shen

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Structure-guided design of aromatic biosensors for water quality monitoring

S. Ray, S. Panjikar and R. Anand

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Functional and structural exploration of the abyssomicin C synthetic pathway

A. Parnell, M. Byrne, A. Zulkepli, P. Race and C. Willis

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Design of peptidic inhibitors targeting the dimerization interface of galectins

J. Gagnon, P. Egesborg, M. C. Vladoiu, Y. St-Pierre, D. Chatenet and N. Doucet

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Structural dynamics of membrane proteins

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Interfacial lipids as modulator of membrane protein oligomerisation

K. Gupta and C. Robinson

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Challenges and opportunities in structure determination of membrane proteins

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Insights into neurotransmitter release from the structure of Munc13-1 C1C2BMUN

D. R. Tomchick, J. Xu, M. Camacho, Y. Xu, V. Esser, X. Liu, T. Trimbuch, C. Ma, C. Rosenmund and J. Rizo

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Structures of bak with lipids: implications for pore formation

P. Czabotar, A. Cowan and P. Colman

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Characterising PC/cholesterol supported lipid bilayers and interactions with human HDL

S. H. A. Waldie, K. Browning, M. Moulin, M. Haertlein, T. Forsyth, S. Maric and M. Cárdenas

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Ultra-microporous MOFs for selective CO₂ capture from industrial gas mixtures

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SC–SC transformation of two-dimensional MOFs to three dimensions by [2+2] photodimerization

H. Ri Moon, J. H. Lee, S. Park and S. Jeoung

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Modelling of MOFs for energy and environment-related applications

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Supramolecular construction of an aldehyde-functionalized cyclobutane in the solid state

S. M. Oburn, D. Swenson and L. MacGillivray

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Photochromic metal–organic frameworks for inkless and erasable printing

B. Garai and R. Banerjee

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Solvent-free methods for controllable synthesis of metastable pharmaceutical solids

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Correlating crystal structure, nanomechanical and compaction behavior of febuxostat polymorphs

J. A. Yadav, K. Khomane, S. Modi, B. Ugale, R. N. Yadav, C. M. Nagaraja, N. Kumar and A. Bansal

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Pharmaceutical solid solutions of antiretroviral drugs

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Impact of differential surface anisotropy on biopharmaceutical performance of celecoxib

P. S. Thakur, S. R. Modi, C. Calvin Sun and A. K. Bansal

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Structural origin of superior plasticity and tabletability of theophylline monohydrate

C. C. Sun and S.-y. Chang

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Can predicted solid form landscapes provide insight into structure–property correlations?

A. G. P. Maloney, M. J. Bryant and N. Feeder

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Integrated differential phase contrast (iDPC) STEM

I. Lazic, E. G. T. Bosch and S. Lazar

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Mapping atomic electric fields and charge densities by four-dimensional STEM

K. Müller-Caspary, M. Duchamp, F. F. Krause, A. Beche, F. Winkler, S. Löffler, H. Soltau, J. Zweck, P. Schattschneider, J. Verbeeck, S. van Aert, R. E. Dunin-Borkowski and A. Rosenauer

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Electron tomography – three-dimensional atomic, elemental and field mapping

G. Haberfehlner, A. Orthacker, F.-P. Schmidt, D. Knez and G. Kothleitner

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Imaging charge transfer in crystals using electron ptychography

P. Nellist, G. Martinez, T. Pennycook, L. Jones, H. Yang, M. Huth, M. Simson, H. Soltau, Y. Kondo and R. Sagawa

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Nanoscale strain tomography by scanning precession electron diffraction

D. N. Johnstone, A. T. J. van Helvoort and P. A. Midgley

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News and perspectives of the European Spallation Source

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Current status of J-PARC MLF

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The neutron powder diffractometer DREAM at the ESS

W. Schweika, M. Feygenson, A. Houben, N. Violini and F. Porcher

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D19: a neutron diffractometer for small proteins and chemical crystallography

E. Mossou and L. Canadillas Delgado

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New science capabilities at current and proposed US neutron sources

K. L. Page and K. W. Herwig

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Composition–structure–activity relationship for fuel cell catalysts by in operando XRD

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In situ characterization of energy materials by neutron diffraction

J. A. Alonso, V. Cascos, R. Martinez-Coronado, C. Sun, C. Lopez, J. B. Goodenough and M. T. Fernandez-Diaz

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Probing structural distortions with new high-precision resonant X-ray diffraction approach

M. Zschornak, C. Richter, D. Novikov, E. Mehner, M. Nentwich, S. Gorfman, J. Hanzig, H. Stöcker, T. Leisegang and D. C. Meyer

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Electrochemical cells for neutron diffraction study of Li/Na-ion electrode materials

I. Bobrikov, N. Samoylova, S. Sumnikov, O. Ivanshina and A. Balagurov

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Structure–property correlation in SOFC and SOEC materials

D. G. Billing and S. F. Miller

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In operando data of Li-ion batteries from XRPD laboratory diffractometers

T. Degen, M. Gateshki, M. Sadki and D. Beckers

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Unravelling the photoredox pathways in CO₂ photoreduction by artificial photosynthesis

V. A. De La Peña O'Shea, L. Collado, P. Reñones, E. Alfonso, F. Fresno, M. Liras and M. Barawi

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A Laue diffractometer for ambient and non-ambient neutron structural analysis

M. Tovar, D. Wallacher, J. Breternitz, A. Franz, F. Lehmann and S. Schorr

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Interactive teaching of crystallography using Jmol

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Crystallography online by the Bilbao Crystallographic Server

G. De La Flor Martin, E. Tasci, L. Elcoro, S. Vidal, G. Madariaga, J. M. Perez-Mato and M. I. Aroyo

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Crystallography Open Database for teaching

S. Grazulis, A. Merkys and A. Vaitkus

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Making crystal structure an everyday thing – Crystallography365 and beyond

H. E. Maynard-Casely and B. McMahon

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A three-dimensional approach to teaching chemistry

A. A. Sarjeant, P. A. Wood, I. J. Bruno, C. F. Macrae, H. E. Maynard-Casely and M. Towler

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Teaching structural biology, bioinformatics and evolution to high school students

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Quasicrystals. What do we know – what can we know?

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Three-dimensional Euclidean crystallography and hyperbolic orbifolds

S. T. Hyde and M. Cramer Pedersen

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Two extensions: bronze-mean quasicrystal and crystals on saddle-shaped surfaces

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Understanding local structure in amorphous precursors using electron nanodiffraction

E. D. Boejesen, A. Liu, T. Petersen, T. Christiansen and K. Jensen

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Extreme cooperative swelling in topologically disordered fibre entanglements

A. Overy, R. Pandya, P. Maffettone, A. Simonov and A. Goodwin

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Mapping the trajectory of proton transfer via experimental electron density

L. Andrade Malaspina, K. Sugimoto, A. J. Edwards and S. Grabowsky

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Panning for precious metals: mechanics of a transition metal transporter

R. Gaudet, A. T. Bozzi, C. M. Zimanyi, L. B. Bane and A. Singharoy

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Deciphering ligand-induced conformational changes in the sodium galactose transporter

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Molecular mechanism of the Mg²⁺ channel MgtE

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Driving a wedge into the TREK channel heart

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Structural insight of zinc binding of Hv1/VSOP in resting state

A. Nakagawa, M. Iwaki, H. Kandori, H. Kondo, Y. Yonezawa, Yu Takano, H. Arima, Y. Fujiwara, K. Takeshita and Y. Okamura

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Structural insight into the glycerophosphocholine-binding protein of ABC transporter

M. Chandravanshi and S. P. Kanaujia

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Haloalkane dehalogenases as a subject for crystallographic studies

I. Kuta Smatanova, I. Iermak, R. Chaloupkova and J. Damborsky

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Characterizations of solute-binding proteins by DSF scanning and crystallography

U. Yadava, M. W. Vetting and S. C. Almo

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Crystallographic determination of Cys ligands upon metal binding in metalloproteins

L. Ruckthong, M. Zastrow, J. Stuckey and V. Pecoraro

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Understanding the structural basis of Legionella pneumophila aminopeptidase N

A. K. Marapaka and A. Addlagatta

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Structure of ATP-binding protein exhibiting a novel terminal domain

M. K. Hema, N. K. Lokanath and K. J. Pampa

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H. pylori purine nucleoside phosphorylase: catalytic features and three-dimensional structure

M. Luić, L. Papa, Z. Štefanić, I. Leščić Ašler, P. Knežević and A. Bzowska

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Combating multi-herbicide resistance in weeds with new GST inhibitors

R. F. M. Eno, M. Schwarz, P. Steel and E. Pohl

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Crystal structure of the Mycobacterium tuberculosis transcriptional regulator FasR

J. Lara, L. Diacovich, N. Larrieux, A. Buschiazzo, G. Gago and H. Gramajo

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From structure to function: Smlt1473, a pH-dependent polysaccharide lyase

S. Pandey, L. C. MacDonald, P. Mahanta, B. W. Berger and R. Acharya

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Structural analysis of UDP-glucose:tetrahydrobiopterin α-glycosyltransferase from Cyanobacterium

K. Ho Lee, K. Asaithambi and Y.-S. Park

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Histidinol phosphate phosphatase of Mtb: structural and functional analysis

B. Jha, D. Kumar, K. H. Singh, A. Ashraf and B. K. Biswal

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Structural insights into the mechanism of plasmepsins from P. falciparum

I. Rathore, V. Mishra, C. Patel, H. Xiao, R. Yada, A. Gustchina, A. Wlodawer, K. Hidaka and P. Bhaumik

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Structural and functional studies of Vibrio cholerae c-di-GMP phosphodiesterase

M. Yadav and U. Sen

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Structural and enzymatic aspects of LMWPTP from Vibrio cholerae 0395

S. Chatterjee, S. Nath and U. Sen

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Molecular insights into intracellular trafficking in NMDA receptor homeostasis

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Structural and functional aspects of arginine decarboxylase from Salmonella typhimurium

G. Deka, S. R. Bharath, M. R. N. Murthy and H. S. Savithri

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Understanding unique structure–functional properties of Aspergillus niger glutamate dehydrogenase

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Enzyme lysyl-tRNA synthetase presents a new target for drug development

M. Sharma, M. Yogavel and A. Sharma

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A structural approach to the design of FXR ligands

D. Kydd-Sinclair and K. Watson

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Molecular basis of TRF proteins and their interactions with peptides

U. Kalathiya, M. Padariya and M. Baginski

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Strategies for high-throughput ligand screening – automated co-crystallisation and soaking

P. Thaw, D. Hargreaves, J. Benz and J. Jenkins

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Use of prodigiosin for targeted drug delivery

S. Chatterjee, D. Nath, R. Dhar and S. Laha Roy

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Structure of in vivo protein crystals from viviparous Diploptera punctata

S. Banerjee, N. P. Coussens, F.-X. Gallat, N. Sathyanarayanan, K. J. Yagi, J. S. S. Gray, S. S. Tobe, B. Stay, L. M. G. Chavas and S. Ramaswamy

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Positioning effect of carboxylate in dimensionality of silver-based MOFs

A. Kaur and R. Shankar

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Anion-controlled geometrically different Cu^II-based coordination polymers

R. K. Mudsainiyan

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A new metal–organic framework constructed by manganese and acetic acid

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Controlled self-assembled coordination polymer and monomer by [Ni(mnt)₂Cu₄I₄]²⁻

K. Sugimoto, M. Maekawa and T. Kuroda-Sowa

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Rare earth-based photoluminescent materials

A. Ramanan, D. Kumar, S. Ahmad and G. Vijay Prakash

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Alkaline earth coordination polymers: photoluminescence and dielectric properties

B. Kumar, A. Ramanan, A. Banday, S. Murugavel, P. Kanaujia and G. Vijay Prakash

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Shape memory nanopores in a porous MOM

M. Shivanna, S. Kitagawa and M. J. Zaworotko

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Transformation of achiral to chiral structure, its applications in catalysis

P. C. Rao and S. Mandal

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Influence of reaction conditions on changing structures of coordination polymers

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Structural characterization of Mn–terpy–5′-IMP complex

D. Senthurpandi and M. Nethaji

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Cooperative triazole-based spin-crossover Fe^II coordination polymers

N. Pittala, S. Triki, F. Thétiot, K. Boukheddaden, G. Chastanet and M. Marchivie

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Novel LnMOFs based on tricarboxylate ligand: structures and topological representations

M. S. M. Abdelbaky, Z. Amghouz, S. García Granda, J. R. García and R. F. D'Vries

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Linker-directed structural diversity and magnetochemistry of Mn^II coordination polymers

V. Gupta and S. K. Mandal

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Temperature-dependent structure of three-dimensional lanthanide coordination polymers

S. Jiajaroen, N. Ponjan, P. Khemthong, F. Kielar and K. Chainok

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Coordination-driven self-assembly of Pd₈L₄ nanobarrels: synthesis, structure and application

B. Roy, S. Srivastava, A. Devaraj, A. K. Ghosh, P. D'Silva and P. S. Mukherjee

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A series of three-dimensional porous sodium–lanthanide–oxalate frameworks

N. Ponjan, W. Dungkeaw, F. Kielar and K. Chainok

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The art of autostereographic presentation of metal–organic frameworks

A. Katrusiak and S. Sobczak

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Azinphos-methyl detection in aqueous medium using cadmium-based three-dimensional MOF

D. K. Singha, P. Majee, S. K. Mondal and P. Mahata

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Rational route for targeted synthesis of microporous mixed-metal MOFs

G. Ayoub, K. Užarević, A. J. Howarth, L. S. Germann, R. E. Dinnebier, O. K. Farha and T. Friščíč

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Reticular chemistry studies on CuCN derivatives for new luminescent materials

E. Priola, D. Eliano, M. Chierotti, E. Bonometti, A. Giordana and F. Grifasi

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Electron density and dielectric properties of highly porous MOFs

R. Scatena, Y. T. Guntern and P. Macchi

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Halogen–halogen interactions in two-dimensional coordination polymers impact the sorption behavior

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Phase transitions in compounds of the Ln–M^II–oda MOF series

G. A. Peinado, L. Suescun, J. Torres and C. Kremer

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Self-assembled molecular squares as supramolecular tectons

S. Krishnaswamy, S. Prusty, D. Chartrand, G. Hanan and D. K. Chand

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Metal–organic frameworks based on conjugated organic ligands for optoelectronic applications

A. García-Sánchez, M. Liras, F. Fresno, M. Barawi, E. Gutierrez-Puebla, A. Monge, F. Gándara and V. A. De la Peña O'Shea

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Rhodium(I) carbonyl complexes as model nanowires

P. P. Mokolokolo, M. Schutte-Smith and A. Roodt

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Supramolecular synthons involving fluorine atoms in crystal structures of fluorobenzamides

P. K. Mondal and D. Chopra

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Generation of hollow crystals of lamellar structure-forming drug

R. Chavan, N. Bhargavi and N. Shastri

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'Philic'–'phobic' plate-shaped crystals of aspirin form I

S. Sheokand, T. Jain, S. R. Modi, B. Ugale, R. N. Yadav, C. M. Nagaraja, N. Kumar and A. K. Bansal

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Crystal engineering of multicomponent crystal forms of antituberculosis drugs

J. Ellena, L. F. Diniz, C. C. de Melo and P. S. Carvalho Jr

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Salts of amoxapine with improved solubility for enhanced pharmaceutical applicability

M. Joshi and A. Roy Choudhury

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Curcumin–artemisinin coamorphous solid and its preclinical and xenograft model

M. K. C. Mannava, K. Suresh, M. K. Bommaka and A. Nangia

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Co-crystals of hydrochlorothiazide: optimizing solubility and membrane permeability

S. P. Gopi and G. R. Desiraju

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Impact of crystal habits on interparticulate bonding strength of celecoxib

D. P. Kale, S. R. Modi, K. S. Khomane and A. K. Bansal

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Solid formulation of liquid drug propofol via co-crystallization

B. Saikia, M. P. Dahal, R. Khatioda and B. Sarma

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Improving tabletability of active pharmaceutical ingredients through co-crystallization

B. Bhattacharya and C. Malla Reddy

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Solubility enhancements through drug–coformer interactions for antidiabetic drugs

A. Samie and G. R. Desiraju

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Growth and characterization of semi-organic NLO single crystal

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Diphosphinoamine (PNP) ligand effects in homogeneous catalysis and radiopharmaceuticals

D. V. Kama, M. Schutte-Smith, A. Brink, H. G. Visser and A. Roodt

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Synthesis and crystal structure of a new layered CoBi₂O₂F₄ oxofluoride

E. Mitoudi Vagourdi, S. I. Ali, S. Müllner, P. Lemmens, R. Kremer and M. Johnsson

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Crystal structure analysis of organic compound C₁₈H₁₃ClO₄S

H. Htoo and P. Kaung

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Structural analysis and spin-state transition in cobalt oxide Sr_0.75Y_0.25CoO_3−δ

S. Shimono, H. Ishibashi, S. Kawaguchi, K. Tomiyasu and Y. Kubota

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Layered packing and two-dimensional magnetism in honeycomb-type mixed oxides

S. Podchezertsev, A. Korshunov, A. Malyshev and A. Kurbakov

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Phase transition of potassium superoxide KO₂

S. Lee, S. Torii, Y. Ishikawa, M. Yonemura and T. Kamiyama

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Epitaxial La_0.67Ba_0.33Ti_0.02Mn_0.98O₃ oxide thin films

O. Marouan and A. Catalin Galca

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Site-specific magnetically frustrated Sr₅Mn₅O₁₃ and Sr₄LaMn₅O₁₃ perovskites

L. Suescun, B. Dabrowski, S. Kolesnik and K. Chapagain

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Structural, magnetic and dielectric properties of La₂Ni_1−xMn_1+xO₆ (−0.50 < x < 0.50)

M. . Nasir, S. Ayaz, S. Kumar and S. Sen

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Structural comparison of inhibitors bound to parasitic PRS enzymes

Y. Manickam, V. Jain, H. Kikuchi and A. Sharma

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Understanding the mechanism of ester bond formation in bacterial adhesins

Y. Yosaatmadja, T. Baker, P. Young and C. Squire

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Three-in-one bullets: small-molecule inhibitors of the β-common receptor

K. S. Cheung Tung Shing, T. Nero, T. Hercus, S. Broughton, U. Dhagat, A. Lopez and M. Parker

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Structural basis of mycobacterial inhibition by natural products targeting ClpC1

D. Vasudevan, M. K. Jagdev and C. Mohapatra

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Co-complex caspase structures show unique interactions to highly specific probes

D. W. Wolan, C. Vickers, K. A. Solania and G. González-Páez

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The thioredoxin system from Thermosipho africanus: structure and function

N. Sahtout, J. R. A. Kuttiyatveetil and D. A. R. Sanders

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KDM6 enzymes as drug targets in inflammation

S. E. Jones, L. Olsen and M. Gajhede

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Mechanism and X-ray damage: beware of artefacts in xylose isomerase

H. Taberman, C. S. Bury, K. A. Sutton, E. H. Snell and E. F. Garman

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PRL phosphatases and their interactions with CNNM magnesium transporters

G. Kozlov, H. Zhang, I. Gulerez and K. Gehring

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X-ray crystallography: essential tool for protein characterization and ligand optimization

N. Bertoletti, F. Braun, A. Metz, A. Heine, G. Klebe and S. Marchais-Oberwinkler

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Crystal structure and reaction mechanism of glucuronoxylan endo-β-1,4-xylanase

A. Goyal, A. K. Verma, F. Freire, C. M. G. A. Fontes and S. Najmudin

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Low-resolution structure analysis of α-L-arabinofuranosidase (CtGH43) by SAXS

K. Sharma, S. Ahmed, C. M. G. A. Fontes, S. Najmudin and A. Goyal

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Development of selective inhibitors against malarial M1 family aminopeptidase

A. Addlagatta and A. K. Marapaka

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Biotechnological application of enzyme crystals, from microfluidic to batch production

J. A. Gavira Gallardo, C. Verdugo-Escamilla, I. Rodriguez-Ruiz and M. Conejero-Muriel

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Structural characterisation of the mitochondrial complex IV assembly factor, COA6

S. Maghoolpilehrood, N. D. G. Cooray, D. A. Stroud, D. Aragão, M. T. Ryan and M. J. Maher

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Function from structure: Lpp20 from the human pathogen Helicobacter pylori

G. Zanotti, F. Vallese and N. M. Mishra

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Novel dual-binding cation-π inhibitors of acetylcholinesterase

R. S. Rathore, P. A. Meetei, D. Naresh, Murthy and V. Vindal

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Structural studies on M. smegmatis MutT2, a sanitization enzyme

A. Singh, S. M. Arif, P. B. Sang, U. Varshney and M. Vijayan

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Venom evolution provides inspiration for development of ultrafast-acting insulins

J. G. Menting, D.H.-C. Chou, C. A. MacRaild, N. A. Smith, B. M. Olivera, B. E. Forbes, B. J. Smith, R. S. Norton, H. Safavi-Hemami and M. C. Lawrence

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Bacterial second messenger switches enzyme into 'reverse gear'

B. N. Dubey, C. Lori, S. Ozaki, G. Fucile, I. Plaza-Menacho, U. Jenal and T. Schirmer

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T3SS ATPase YsaN. Function and regulation in Yersinia enterocolitica

R. Kumar and S. Datta

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Arabidopsis ClpD N-terminal domain is highly divergent from ClpC1

C. Mohapatra, M. K. Jagdev and D. Vasudevan

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Mechanistic insights into substrate specificity of mycobacterial type-III PKS

R. Raju, P. Kinatukara, R. Singh, R. S. Gokhale and S. Rajan

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Mechanism of allostery and catalysis in P. falciparum GMP Synthetase

S. Shivakumaraswamy, L. Ballut, S. Violot, L. P. Thota, B. W. Dijkstra, R. Terreux, R. Haser, H. Balaram and N. Aghajari

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Understanding IMPDH and ADSS in Cryptococcus neoformans and their inhibitor design

L. K. Kummari, E. Furlong, Z. Luo, R. Blundell, U. Kappler, M. Butler, A. Robertson, M. Cooper, J. Fraser and B. Kobe

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Crystallographic analysis of β-ketoadipyl-CoA thiolase from Psedomonas putida

S. Bhaskar, S. Panjikar and R. Anand

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Structural and functional characterization of ulvan lyase enzymes

T. . Ulaganathan, W. Helbert, E. Banin and M. Cygler

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Discovery of a novel xenobiotics deaminating enzyme from Mycobacterium smegmatis

V. M. Gaded and R. Anand

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A cis-to-trans switch in DTD-like fold relaxes substrate chiral specificity

S. K. Kuncha, M. Mazeed, R. Singh, B. Kattula, S. Pottabathini and R. Sankaranarayanan

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Lipid metabolism enzymes ECH and R-domains maintain mycobacterial lipid diversity

P. Kinatukara, G. S. Patil, R. S. Gokhale and R. Sankaranarayanan

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Mechanistic insights into chiral proofreading during translation of genetic code

S. B. Routh, K. I. Pawar, K. Suma, M. Kumar, S. P. Kruparani and R. Sankaranarayanan

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Structure–function analysis of Xanthomonas oryzae pv. oryzae virulence factor CbsA

R. Nathawat, T. Lavanya, S. Kumar, R. V. Sonti and R. Sankaranarayanan

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Structure and mechanism of the amidase from Geobacilus pallidus

B. W. Weber and B. T. Sewell

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Biophysical characterization of enzymes from the lipid A biosynthesis pathway

S. K. Yalamanchili, C. Hoath and A. Vrielink

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D-Chiral specificity of archaeal and cyanobacterial D-aminoacyl-tRNA deacylases

M. Mazeed, S. K. Kuncha, S. B. Routh, S. P. Kruparani and R. Sankaranarayanan

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Notum – an extracellular protein deacylase that suppresses Wnt signalling

E. Y. Jones, M. Zebisch and Y. Zhao

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Elucidating the catalytic mechanism of cysteine-dependent amidases and nitrilases

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Discovery of new inhibitors of CdC25B by structure-based docking studies

U. Nayek, D. Sunil and A. A. A. Salam

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Certain small glycols as cryptic pocket finders in proteins

H. Bansia, P. Mahanta and S. Ramakumar

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Characterization of dihydroorotase from M. jannaschii

J. Vitali, A. K. Singh and M. J. Colaneri

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Structural and functional characterization of sugar epimerases in pathogenic bacteria

M. Lavanyaa, S. R. Guntupalli, K. Joshi, V. Nayak and S. Ramaswamy

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Structure-based improvement of the glucose tolerance of a β-glucosidase

P. Bhaumik, R. K. Bedi, R. Gupta, N. S. Punekar and S. Noronha

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Molecular basis for mis-sense mutation-induced functional loss in Mtb PapA2

V. N. Panchal, A. Bothra, S. Chaudhary and V. Rao

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Crystal structure analysis of L-asparaginase from Thermococcus litoralis DSM 5473

T. Fujii, T. Yamauchi, S. Kato, T. Oikawa and Y. Hata

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Structural characterization of the ASPP/PP1 phosphatase complex

S. Mouilleron, Y. Zhou, T. Bertran and N. Tapon

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Structural basis of iridoid synthase-mediated cyclization of 10-oxogeranial

A. Sandholu, J. Sengupta and K. Kulkarni

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Chickpea Kunitz inhibitor: a mechanistic basis for trypsin inhibition

A. D. Bendre, S. Ramasamy and C. G. Suresh

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Structure of highly active BSH enzyme with subordinated post-translational excision

D. Chand, P. Panigrahi, S. Ramasamy and C. G. Suresh

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Engineering of the Tat pathway and chaperons

D. Ghosh and S. Ramasamy

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Allostery mapping in Enterococcus faecalis bile salt hydrolase (BSH)

Y. Yadav and S. Ramasamy

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Recent breakthroughs in the structure/function studies of acetylcholinesterase

J. L. Sussman and I. Silman

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Structural analysis and predicting effects of natural mutations on telomerase

M. Padariya, U. Kalathiya and M. Baginski

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Structure and quaternary arrangement of the multifunctional birnavirus protein VP3

D. S. Ferrero and N. Verdaguer

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Architecture of β-D-galactosidase active site as a basis for enzyme engineering

M. Z. Rutkiewicz-Krotewicz, A. Bujacz, M. Wanarska and H. Cieslinski

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Structural insights into the production of 3-HP by AbKGSADH

H. Son and K.-J. Kim

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Structural and functional studies on Mycobacterium tuberculosis ribonucleotide reductase

L. R. Yadav and S. Mande

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Design, synthesis, and biological evaluation of novel alpha glucosidase inhibitors

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Discovery of new genetic variants of methionine aminopeptidases

V. Pillalamarri and A. Addlagatta

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Enhanced temperature and gas options at BESSY II beamline KMC-2

D. M. Többens, G. Schuck, D. Wallacher, N. Grimm and S. Schorr

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In situ DXAS study of NiO/CeO₂–Sm₂O₃ nanocomposites for IT-SOFC anodes

D. G. Lamas, M. Bellora, C. Huck Iriart, L. Toscani, R. Bacani, S. Larrondo and M. Fantini

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Temperature-dependent mechanical deformation of silicon at the nanoscale

K. Mangalampalli

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Synthesis, structure and electrochemistry of REBCO as cathode for IT-SOFCs

J. Grassi, M. A. Macías, A. Serquis and L. Suescun

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Structure variations within certain rare earth disilicides

M. Nentwich, M. Zschornak, M. Sonntag, R. Gumeniuk, S. Gemming, T. Leisegang and D. C. Meyer

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Role of N 2p vacancy in p-type ZnO thin films

J.-W. Chiou, C.-L. Li, J.-F. Chien and M.-J. Chen

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Perfect colorings of hyperbolic buckyball tilings

M. J. C. Loquias and D. Frettlöh

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Study of magnetic and electrical properties of lithium–magnesium ferrites

M. K. Das and A. K. M. A. Hossain

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Helping to set standards for high-quality XAFS

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Improving your single-crystal data collection

A. Griffin, F. White, M. Meyer and J. Ferrara

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OneDep: wwPDB system for deposition, biocuration, validation of macromolecular structures

A. Gutmanas, J. L. Markley, H. Nakamura, S. K. Burley and S. Velankar

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How databases can help set standards from validation to publication

S. C. Ward, A. A. Sarjeant and M. P. Lightfoot

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Determination of reaction intermediates and catalytic mechanism by X-ray diffraction

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HU multimerization shift controls nucleoid compaction

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Molecular mechanism of CRISPR

O. Nureki, H. Hirano, S. Hirano, T. Yamano and H. Nishimasu

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Parsimonious DNA target-site recognition by Grh/CP2 transcription factors

U. Heinemann, Q. Ming, Y. Roske, A. Schuetz and K. M. Schmidt-Ott

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Structural insights into plasticity of DNA–protein interactions in tetracycline receptors

R. Anand, S. Ray, A. Maitra and H. Bhukya

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Crystal structure of tetrameric Arabidopsis MYC2–DNA complex

X.-D. Su, T. Lian and Y. Xu

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Heteropore COFs: an emerging class of crystalline hierachically porous polymers

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Stimuli-responsive functional metal–organic frameworks

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A dynamic three-dimensional covalent organic framework

W. Wang, Y.-X. Ma, Z.-J. Li, T.-Q. Ma and Y.-B. Zhang

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Structural dynamism in metal–organic frameworks leading to their better functionality

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Structural regulation of luminescent and mangetic properties of MOFS

T. Timofeeva, Q. Wei and M. Petronis

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Neutral polyhedral Pd^II cages supported by tris(imido)phosphate trianions

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Pd^II LMOF for the sensing of molecular hydrogen in gas phase

K. Chulvi-Iborra, W. Kraus, K. Rurack and F. Emmerling

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IUPAC definition of the hydrogen bond. Terminology and nomenclature

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IUPAC definition of the halogen bond

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MOFs – what is in the name?

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Polymorphs, pseudopolymorphs and the crystal engineer: friends and foes

L. R. MacGillivray

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Co-crystal: a simple term with many interpretations

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Ultrafast XRD observation of laser-shock induced lattice dynamics

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Sample extractor for serial crystallography at XFELs and synchrotron sources

I. Mathews, A. Cohen, A. Lyubimov and M. Soltis

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In situ synchrotron diffraction study of precipitations in liquid jet

A. S. A. Mohammed, A. Cervellino, A. Testino and A. Carino

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Pioneering remote-access use of Diamond beamline I19

W. Clegg, N. T. Johnson, M. R. Probert and P. G. Waddell

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MCX@Elettra: powder diffraction in ambient and non-ambient conditions

J. R. Plaisier, L. Gigli and A. Lausi

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Predicting and refining crystal structures with NMR data

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Solid-state NMR crystallography: from catalytic active complexes to enzymes

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NMR crystallography: a perspective

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New developments in surface-enhanced solid-state NMR spectroscopy and their applications

S. R. Chaudhari, J. M. Griffin, M. Lelli, K. Broch, V. Lemaur, Y. Olivier, H. Sirringhaus, C. P. Grey, A. Lessage and L. Emsley

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Determination of crystalline forms by solid-state NMR and electron diffraction

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Structure, disorder and function of supramolecular polymer additives

J. Senker, C. Zehe, M. Schmidt, J. Hill, R. Siegel, V. Daebel, K. Kreger, A. Goodwin and H.-W. Schmidt

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Probing electrode materials bulk and interfacial processes with NMR spectroscopy

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Enhanced energy density in oxide and alluaudite battery materials

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Local structure of Li_4−xMn₂O₅ high-capacity cathode probed by PDF

M. Diaz-Lopez, P. Bordet, C. V. Colin, M. Freire and V. Pralong

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Current status of iMATERIA and recent result of LIB research

T. Ishigaki, A. Hoshikawa, Y. Yoshida, T. Matsukawa and Y. Onuki

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Assessment of potential Al ion conductors from large crystallographic databases

F. Meutzner, T. Nestler, M. Zschornak, A. Kabanov, T. Leisegang, V. A. Blatov and D. C. Meyer

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Crystal structures and electrochemical properties of the battery materials Na_xM₃(PO₄)₃

H. Ben Yahia, R. Essehli and I. Belharouak

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Labelled quotient graphs and topological features in crystal structures

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Vertex-transitive monocoronal tilings from isohedral tilings

E. C. Taganap and Ma. L. A. N. De Las Penas

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Short-range order analyses of the amorphous–crystalline silicates using graph theory

O. Sidorova, L. Aleshina and D. Krupyanskiy

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Towards a mechanistic understanding of mercury–microbe/mineral interactions

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Cryo micro-spectroscopy at ID21 for environmental sciences

M. Cotte, H. Castillo-Michel, A. E. Pradas del Real, M. Salomé, D. Bugnazet and W. De Nolf

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X-ray absorption spectroscopy for lead speciation of dispersed mine waste

B. N. Noller, J. Zheng, T. Huynh, J. Ng, V. Diacomanolis, R. Taga and H. Harris

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Synchrotron high-energy X-rays for materials research with complex sample environments

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Making routine native SAD a reality

V. Olieric, S. Basu, T. Weinert and M. Wang

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The long-wavelength macromolecular crystallography beamline I23 at Diamond Light Source

A. Wagner, R. Duman, K. el Omari, V. Grama and V. Mykhaylyk

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Exploiting wavelengths longer than 3 Å for native SAD phasing

N. Matsugaki, Y. Yamada, A. Harada, M. Hiraki, M. Senda and T. Senda

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Maximum-likelihood methods in DIALS

J. Parkhurst, G. Winter, D. Waterman, R. Gildea, L. Fuentes-Montero, G. Murshudov and G. Evans

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Experimental phasing at low energy at EMBL beamline P13

G. Pompidor, G. Bourenkov, I. Bento, J. Hakanpää, I. Karpics and T. Schneider

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Coordination exchanges in metal–organic frameworks

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CO₂ release from metal–organic frameworks triggered by external stimuli

H. Li and M. Hill

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Reactive sites for adsorption and catalysis in MOFs

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Functionalization-induced breathing control in flexible MOFs

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In situ CO₂ adsorption by the (poly)azolate MOF Fe₂BPEB₃

C. Giacobbe, S. Galli, A. Maspero and E. Lavigna

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Design of porous MOFs for gas storage applications

S. S. Dhankhar and C. M. Nagaraja

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Solution speciation and implication on nucleation mechanism

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The crystal morphology and growth kinetic mechanisms of para-aminobenzoic acid

I. Rosbottom, C. Y. Ma, R. O'Connel, R. Docherty and K. J. Roberts

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Unstable amorphous cerium oxalate precipitation in concentrated HNO₃ media

I. Rodriguez-Ruiz, S. Charton, D. Radajewski, T. Bizien and S. Teychené

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Laser-assisted crystallization: an alternative tool to crystallize biomolecules

A. A. Abdul Salam, T. Shilpa, S. D. George, A. Bankapur, S. Chidangil, A. K. Dharmadhikari and D. K. Mathur

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Enantiotropic phase transition in a molecular solid involving Z′ = 12

I. Guzei, A. Vinokur, A. Yakovenko, L. Liu and J. Schomaker

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The chemistry of nucleation

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Nanostructured MOFs through defect engineering

M. Cliffe and C. P. Grey

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Real and reciprocal space electron tomography reveals structure and vacancies

T. Willhammar, K. Sentosun, S. Mourdikoudis, B. Goris, M. Bercx, D. Lamoen, B. Partoens, L. M. Liz-Marzan, S. Bals and G. van Tendeloo

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Crystallographic investigation of metallic and bimetallic nanoparticles

O. Prymak, K. Loza, V. Grasmik, K. Pappert, A. Rostek, J. Helmlinger, M. Gocyla, M. Heggen and M. Epple

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Nanoparticle and nanocluster structures at atomic resolution – even hydrides!

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Resolving the atomistic structure and morphology of functional nanomaterials

K. L. Page and J. Liu

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Tuning of metal oxide nanostructures under soft hydrothermal conditions

K. Byrappa and K. Namratha

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A world-wide education in crystallography

A. A. Sarjeant, A. G. Oliver, C. L. Stern, S. C. Ward and P. A. Wood

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Growing a new generation of crystallographers across Europe and beyond

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Crystallography courses in Latin America

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IUCr–UNESCO OpenLab: 25 editions in 22 countries and counting

M. Zema, G. R. Desiraju, C. Lecomte, M. Nalecz and J.J.-P. Ngome Abiaga

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Crystallography at the Master level. MCC and beyond

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Expanding crystallography as science in Africa: some initiatives

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FEBS practical crystallization courses since 2004

I. Kuta Smatanova

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Crystallography courses and industry: hand in hand across the land

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Recent advances in the magnetic pair distribution function technique

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Emergent order in the frustrated kagome magnet Dy₃Mg₂Sb₃O₁₄

J. Paddison, H. Ong, J. Hamp, P. Mukherjee, X. Bai, M. Tucker, N. Butch, C. Castelnovo, M. Mourigal and S. E. Dutton

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Spiral spin-liquid and a vortex-like state in MnSc₂S₄

S. Gao, O. Zaharko, V. Tsurkan, Y. Su, T. Fennell and C. Rüegg

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Three-dimensional magnetic difference PDF analysis of magnetic frustration in bixbyite

N. Roth, B. Chakoumakos, F. Ye and Bo Iversen

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Trirutiles as potential multiferroics: the case of Mn₂TeO₆

N. Matsubara, F. Damay, B. Vertruyen, E. Elkaim and C. Martin

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Incommensurate magnetic structure and chemical modulation in SbVO₄ catalyst

J. Hernández-Velasco, J. Canca-Ruiz, P. Vilanova, I. Puente-Orench, A. Hoser, F. Agulló-Rueda and A. R. Landa-Cánovas

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Hydrogen-bonded supramolecular ferroelectric materials supported by organoamino phosphonium cations

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Structural and magnetoelectric effect of (x)Li_0.1Cu_0.1Co_0.1Zn_0.6Fe_2.1O₄ + (1−x)Ba_0.95

R. Parvin, Md. F. A. Khan and A. K. M. A. Hossain

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Crystal structure and ferroelectric properties of (1−x)Na_0.5Bi_0.5TiO_3−xBaTiO₃ ceramics

D. K. Pradhan, H. S. Mohanty, T. Dam, H. Borkar, K. K. Mishra, A. Kumar, S. Sen and B. Sahoo

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Applications of the superspace concept in crystal chemistry

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Information-based measures of structural complexity of crystals

S. V. Krivovichev

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Algebraic search for cooperative rotational rigid-unit modes

B. Campbell, T. B. Averett, C. J. Howard, T. A. Whittle, S. Schmid and H. T. Stokes

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Antiferrodistortive isostructural phase transition in perovskites

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Bond softness-sensitive bond-valence parameters for crystal structure plausibility tests

S. Adams and H. Chen

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New insights into the bonding mechanism of boron carbide

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Broad neutralization of influenza virus and implications for universal therapies

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T cell receptors have some more tricks up their sleeves

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Clustered protocadherin molecular assembly and implications for neuronal self-avoidance

K. M. Goodman, R. Rubinstein, J. Brasch, S. Mannepalli, F. Bahna, H. Dan, T. Maniatis, B. Honig and L. Shapiro

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How ligand binds to the insulin-like growth factor receptor

Y. Xu, G. Kong, J. Menting, M. Margetts, L. Jenkin, C. Ward and M. Lawrence

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Structural insights into the signaling of the human interleukin-3 receptor

M. W. Parker, U. Dhagat, T. Nero, S. Broughton, S. K. C. Tung, T. Hercus and A. Lopez

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Structural basis of Zika virus neutralization by highly potent antibody

A. Sharma and F. Rey

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Structural studies on an atypical Rho GTPase RhoH

Z. Motiwala and K. Kulkarni

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Structure–function characterisation of Chlamydia pneumoniae MOMP

A. E. Danson, I. de Moraes, M. Walsh, S. MacIntyre and K. Watson

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Structural insight into protein-aided bacterial biofilm formation

Y. Roske, A. Diehl, U. Heinemann, H. Oschkinat and K. Turgay

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A novel protein–protein interaction detected in cytochrome c–cytochrome oxidase complex

T. Tsukihara, S. Shimada, K. Shinzawa-Itoh, A. Shimada, E. Yamashita and S. Yoshikawa

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CD151 – a membrane protein via X-ray crystallography

G. Purushothaman and V. Thiruvenkatam

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Crystal structures of dengue virus protein revealed ED3 sero-specificity

M. R. Kulkarni, M. Islam, N. Numoto, N. Ito and Y. Kuroda

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Structural basis of antibacterial peptide self-immunity by ABC transporters

K. Bountra, H. Choudhury, K. El Omari, A. Wagner and K. Beis

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Functional analysis of the zinc efflux protein CzcD

D. La Porta, C. McDevitt and M. Maher

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Membrane proteins involved in bacterial phospholipid biosynthesis as drug targets?

M. Archer Frazao, P. Nogly, I. Gushchin, A. Remeeva, A. M. Esteves, P. Ma, N. Borges, I. Moraes, H. Santos and V. Gordeliy

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Structural studies of the AcrB transporter and inhibitor development

F. Qu and K. Beis

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Probing effect of packing motif on helical assembly

B. Tripathy, S. Mohanlal, P. Mahanta, N. Sharma and R. Acharya

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Human ribonuclease 6 crystal structure and conformational analysis

J. Gagnon, S. Sarvan, D. Gagne, J.-F. Couture and N. Doucet

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Structural characterization of a UbiA superfamily member of archaeal origin

D. Boral and S. K. Ramasamy

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Hydrogen-bonding interaction of 4-AP metal complex with proteins

L. Ponsankarar, A. Sinthiya and V. Rashmi

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Advanced in-house crystallography using the next-generation D8 VENTURE

Z. Zhang and V. Smith

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Crystal engineering of pharmaceutical solids: structure–property correlation

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Crystal engineering and the design of higher co-crystals

N. A. Mir, R. Dubey and G. R. Desiraju

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Coumarin antifungal lead compounds, predicted mechanism of action

R. Kingsford-Adaboh, D. Moscoh and J. Reynisson

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Crystallographic analysis of ionic liquids

M. K. Mishra, S. P. Kelley and R. D. Rogers

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Optical and dielectric studies of barium chloride-doped L-tyrosine crystals

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True molecular structure of ixazomib citrate

E. Skorepova, I. Cerna, R. Vlasakova and V. Zvonicek

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Have you missed a form – from polymorph prediction to risk assessment

C. J. Van De Streek and M. A. Neumann

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Combinatorial chemistry in syntheis of organometallic compound to treat cancer

A. K. Saha and R. K. Paul

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Amorphous fraction quantification analysis by Rietveld method in pharmaceutical mixtures

B. A. Ramirez and L. Bucio

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Crystal engineering principles: fluoroquinolone salts

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Pharmaceutical co-crystals/alloys and their structure–property relations

K. Suresh and A. Nangia

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Zn^II complexes of (1,3-thiazol-2-yl)hydrazones as potential pharmacological agents

A. Vinjevac, J. Araškov, N. R. Filipović and T. Todorović

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Palladium(II) and palladium(IV) complexes of isomeric tetrazamacrocyclic ligands

T. G. Roy, D. Palit, K. Barua, S. Rabi, E. Debanath, A. Alam, S. Roy, R. Das and E. Tiekink

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Molecular salts of urocanic acid and L-histidine

R. Ganduri, S. Cherukuvada and T. N. Guru Row

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Salt–co-crystal continuum of epalrestat–cytosine binary solid

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QSAR methods to determine the biological activity of coumarin derivatives

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Crystal and enzyme environmental effects on ibuprofen and sila-ibuprofen

F. Kleemiss, K. Sugimoto, J. Beckmann and S. Grabowsky

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Structure analysis of hydroxy/non-hydroxy substituted dihydropyrimidine molecules

K. M. Bairagi, K. N. Venugopala, P. K. Mondal, D. Chopra, B. Odhav and S. K. Nayak

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In vitro release behavior of multicomponent drugs by tuning molecular conformation, non-covalent interactions

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Epoxycholestane derivatives: crystallographic comparison and hydrogen-bonding analysis

A. A. H. Mashrai, M. A. M. Ali, R. A Alokab and M. A. Al-Pokhiti

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Engineering multicomponent solids based on fenamates

V. Kumar, R. Thaimattam and A. Ramanan

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Coordination of nitrogen in indole alkaloids by vincadifformine type

S. Adizov and B. Tashkhodjaev

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Structure–property relationships in halogenated aromatic amides and imides

J. F. Gallagher, P. Mocilac, E. Aubert, E. Espinosa, B. Guillot and C. Jelsch

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Co-crystals/salts of an anticancer drug gefitinib with dicarboxylic acids

S. H. Thorat and R. G. Gonnade

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Crystal structure, SAR, DFT and Hirshfeld analysis of imidazo thiadiazoles

G. N. Anil Kumar, M. K. Kokila, S. Kumar and S. S. Karki

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A similar co-crystal design strategy for two different antipsychotic drugs

J. B. Nanubolu and R. Krishnan

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Structure and in vitro activity of coumarin derivative

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Crystal structure of 2-amino-9-{[(1,3-dihydroxypropan-2-yl)oxy]methyl}-1,9-dihydro-6H-purin-6-one

R. Sarbajna, P. Anil and S. Mulukutla

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Structure determination of tenofovir disoproxil (free base)

P. Anil, R. Sarbajna and S. Mulukutla

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Novel isomers of 1,3,4-thiadiazole derivatives

R. Kunafiev, B. Babaev, A. Ziyaev, K. Khayitbaev, S. Talipov and B. Ibragimov

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Conformational polymorphism in sofosbuvir: some structural insights

H. M. Mande, R. K. R. Jetti, P. P. Das and S. Nicolopoulos

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Understanding rationale behind carbamazepine co-crystallization with acids, amides and hydrazides

I. Sathisaran and S. V. Dalvi

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Crystal structure, DFT, docking studies of substituted pyridines

L. Rajarajeswari Govindaraj, Umesh and G. N. Anil Kumar

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Crystal and molecular docking studies of biscyclohexane diol with FAK

M. K. Kokila, K. S. Kiran and G. Ramakrishna

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Advantages of amorphous DRL-X over the marketed form

S. V. Narasayya, A. Maruthapillai, V. Sihorkar, S. Mahapatra, V. Peddy, S. Ramakrishnan and P. Kommavarapu

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Five-coordinate copper(II) complexes of saccharin with pyridine and DMF

M. A. A. Shaikh

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QSTR study of four synthesized nitrobenzene derivatives

A. J. N'gouan, F. Mansilla-Koblavi and A. J. Tenon

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Crystal structure landscape of ethenzamide: their physicochemical property study

K. K. Sarmah and R. Thakuria

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High-accuracy Ni-doped borate glass comparison using X-ray extended-range technique

G. P. Cousland, R. Pingak, C. Chantler, V. Streltsov and S. Best

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Refinable correlation coefficients to describe crystals with alternative structures

A. D. Rae, E. Tarconveanu, P. Carr and M. Sherburn

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A new theoretical approach for treatment of GIXD maps

G. Prutskov, M. Chuev, S. Yakunin, N. Novikova, A. Rogachev and O. Konovalov

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Some combinatorial properties of random noble means words

E. D. Miro, S. A. Baluyot and J. Nable

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Neutron crystallography of insulin using a radically small-volume crystal

M. R. Sanderson, D. Lisgarten, R. Palmer, J. Lisgarten, B. Chowdhry, Z. I. Al-Kurdi, A. A. Badwan and M. Blakeley

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Cylinder packing with five directions

Y. Teshima, R. Higashida and T. Matsumoto

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Synthesis, molecular docking and DNA binding studies of 4N-substituted hydrazinecarbothioamides

P. M. Krishna, N. B. Gopal Reddy, B. G. Harish, P. Yogesh Patel and M. Nethaji

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UBDB databank for protein–RNA interactions through magnesium ions

U. A. Budniak and P. M. Dominiak

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DNA structural alphabet opens ways to understand protein–DNA interactions

B. Schneider, P. Božíková, P. Cech, D. Svozil and J. Černý

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Structural and functional studies on Vc-YaeO, a Rho inhibitor

K. Pal, R. Banerjee and U. Sen

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Immune response regulation by paralogous endoribonucleases: ZC3H12C and N4BP1

A. Garg, O. Takeuchi and U. Heinemann

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Substrate recognition by non-specific zinc-dependent 3′-nucleases

J. Dohnalek, L. Østergaard, P. Lipovova, M. Trundova, K. Fejfarova, J. Duskova, L. Svecova, T. Skalova, J. Stransky and T. Koval

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Binding mode of C/EBPβ and SMAD3 to the p15INK4b promoter

M. Miller, Mi Li, S. Cherry, J. Tropea and A. Wlodawer

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Protein–protein interactions of Fanconi anemia proteins FANCI, FANCD2 and BRCA2

M. Q. Siddiqui, Y. S. Rajpurohit, H. S. Misra and A. K. Varma

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Construction of highly crystalline ultraporous covalent organic frameworks in seconds

S. Karak and R. Banerjee

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Chemically delaminated free-standing covalent organic nanosheets (CONs)

M. Abdul Khayum and R. Banerjee

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Live templates for synthesis of mesoporous TiO₂ via guest exchange

W.-T. Chuang, Y.-S. Sun, U-S. Jeng and Y.-W. Chiang

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Salen-based crystalline covalent organic framework

S.-Y. Ding, L.-H. Li, X.-L. Feng and W. Wang

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Can substitution effect control the metal–ligand polymerization?!

A. Samie, A. Salimi and J. C. Garrison

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Self-assembled monolayers in the direction of crystal engineering

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Anion-induced transition from supramolecular metallogel to metal–organic frameworks

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Crystalline porous materials for gas adsorption

T. K. Pal and R. Banerjee

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Porous functions in flexible and not-so-flexible MOFs

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Hierarchically structured materials from nanocellulose – HKUST-1 MOF composites

M. Shamna and A. Thirumurugan

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A two-fold interpenetrated three-dimensional metal–organic framework with rtl topology

K. Khotchasanthong, P. Rangsunvigit, N. Muangsin, W. Dungkeaw and K. Chainok

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Soft templated synthesis for hierarchically porous HKUST-1

R. Ghosh, M. Babu and A. Thirumurugan

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Synthesis and structural characterization of triptycene-based MOF

P. Bhowmik and A. Roychoudhury

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Enhanced hydrogen uptake by the inclined polycatenated dynamic Cu^II-MOF

D. K. Maity, F. Haque and D. Ghoshal

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Design and synthesis of three-dimensional porous diamondoid frameworks by co-crystallization

S. Tothadi, M. A. Little, T. Hasell, M. E. Briggs, S. Y. Chong and A. I. Cooper

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Puckering behaviours in phosphoric triamide structures containing aliphatic ring groups

B. Vahdani Alviri, M. Pourayoubi, A. Saneei, M. Keikha, A. van der Lee, A. Crochet, A. A. Ajees, M. Nečas, K. M. Fromm and K. Damodaran

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Crystallization control of droperidol solid forms using templates and cross-seeding

A. Berzins, A. Trimdale and A. Actiņš

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Multi-component adducts of benzoic acid–fluorobenzoic acid combinations

S. Raviteja, S. Cherukuvada and T. N. Guru Row

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Odd–even alternation in chemically stable porous organic cages

S. Bera and R. Banerjee

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Finding and characterizing commensurate modulations in molecular crystals

C. P. Brock and R. Taylor

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Synthesis, X-ray diffraction studies and Hirshfeld surface analysis of (1E)-1-isobutyl-4-(2-(1-phenylethylidene)hydrazinyl)-1H-imidazo[4,5-c]quinolone hydrate

K. N. Chethan Prathap, S. Naveen and N. K. Lokanath

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Solvent effect on molecular structures: X-ray and DFT studies

U. H. Patel, V. M. Barot, S. A. Gandhi, B. D. Patel, M. K. Patel, B. Socha and J. G. Jayswal

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Twinned crystal of copper(II) complex [Cu(H₂O)₂(CH₃OC₆H₄COO)₂]

A. C. Tella, S. O. Oloyede and S. A. Bourne

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Investigating crystallization mechanism of celecoxib nanocrystals in presence of mannitol

J. M. Sharma, V. Bhatt, G. Shete and A. K. Bansal

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Eutectics of aspirin: exploring the factors influencing the functional aspects

P. B. Managutti and T. N. Guru Row

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Synthesis of polytriazolyl glycine pseudo-polypeptide using topochemical azide–alkyne cycloaddition

V. Athiyarath and K. M. Sureshan

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Crystal structure of (1E)-1-isobutyl-4-(2-(1-phenylethylidene)hydrazinyl)-1H-imidazo[4,5-c] quinolone hydrate

K. N. Chethan Prathap, S. Naveen and N. K. Lokanath

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Synthesis and single-crystal study of 7-hydroxy-3-(4-nitrophenyl)coumarin

N. Omantheswara, N. K. Lokanath, S. Naveen, W. Shashikanth and K. M. Madevan

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Crystal structure of {{1-isobutyl-4-(2-(1-phenylethylidene)hydrazinyl)-1H-imidazo[4,5-c]quinoline

K. N. Chethan Prathap, N. K. Lokanath and S. Naveen

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Thermal topochemical synthesis of pseudo-polypeptide leading to crystal cracking

R. Rai and K. M. Sureshan

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Influence on the self-assembly of sterically hindered arylsufonamides

C. Yadav and J. N. Moorthy

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Impact of polymer strength on precipitation kinetics of acidic drugs

I. Sodhi, S. K. Sunnam, S. Mukesh and A. T. Sangamwar

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Solid-state mechanochemical synthesis of thio-ureido acids

D. Gandrath, D. Tan, T. Friščić and V. Yaylayan

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N-(2-Acetoxyethyl)carbamoylmethoxy tert-butylthiacalix[4]arene – conformational studies

K. Suwinska, A. Gubaidullin and V. Gorbatchuk

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Nucleating agent controlled crystallization and thermal properties of K–Mg–B–Al–Si–F glasses

M. Garai and B. Karmakar

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Analysis of hydrogen-bond directionality in phosphoric triamides

M. Taherzadeh, M. Pourayoubi, M. Nečas, S. Shoghpour Bayraq, H. Amiri Rudbari, G. Bruno, T. Mancilla Percino and M. A. Leyva Ramírez

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Structural analysis of nanocrystalline spinel synthesized by quasicrystalline precursor

H. Agarwal, T. P. Yadav, O. N. Srivastava and M. A. Shaz

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Structure and stability of ultrathin metal/alloy nanowires

P. Bellare, D. Chatterjee, S. Kundu and N. Ravishankar

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Silver nanoparticle sulfidation kinetics across all length scales

A. J. Allen, F. Zhang, J. Pettibone, J. Liu, A. Johnston-Peck and J. Ilavsky

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Upconverting nanoparticles working as primary thermometers in different media

L. D. Carlos, S. Balabhadra, M. Debasu, C. Brites and R. Ferreira

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Green synthesis and study of crystallinity of AuNps

G. K. Deokar and A. Ingale

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Usage of Debye scattering equation for diffraction calculation of nanomaterials

D. Yatsenko and S. Tsybulya

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Synthesis of CuO powders using different fuels for selective surfaces

M. C. Gardey Merino, J. A. Alonso, P. Vázquez, V. Palermo, S. Lassa, M. Rodriguez and A. Bordón

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Radius-dependent transition temperatures of spherical Bi nanoparticles

A. F. Craievich, H. F. Degenhardt and G. Kellermann

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Novel materials from clay and functionalized clay nanoparticles

D. M. Marikah, H. Wanyika and E. Gatebe

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X-ray imaging of single semi-conductor nanostructures for photonics and electronics

V. Favre-Nicolin, G. Girard, J. Eymery, S. Leake, O. Mandula, M. Elzo-Aizarna, F. Andrieu, R. Berthelon, J.-M. Gerard and J. Claudon

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Characterization of the one-dimensional growth of V₂O₅ nanofibers

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A Materials Physics course at a PhD-granting research university

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Educational and outreach projects of the Croatian Association of Crystallographers

A. Vinjevac, M. Đaković, B. Kojić-Prodić, J. Popović, I. Sabljić, A. Šantić and Z. Štefanić

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Training course in symmetry and group theory in Japan

M. Nespolo, M. Okube, N. Igarashi and T. Kamiyama

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The International Crystallization Schools IS(B)C of Granada

J. M. Garcia-Ruiz, J. Gomez Morales and J. A. Gavira

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A comprehensive crystallography class for graduate and undergraduate students

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Fully dedicated website for learning crystallography at Institute of Physical Chemistry Rocasolano

J. A. Hermoso, A. Albert and M. Martínez-Ripoll

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Ten years of the CCP4/APS school in macromolecular crystallography

R. Sanishvili, R. Keegan and G. Murshudov

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The IUCr crystal growing competition for schoolchildren

L. Van Meervelt

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Studies on Bi₂Mn₄O₁₀ and its chromium- and cobalt-doped series

A. Sarker, A. K. M. L. Rahman, T. Debnath and A. Hussain

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New series of vanadium-doped hexagonal tungsten bronze, M_xW_1−yV_yO₃

T. Debnath, I. Hossain, H. Tashnim, C. H. Rüscher and A. Hussain

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Novel Sb⁵⁺-containing oxide possessing unique structural features

A. Sethi and S. Uma

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Study of structural properties of multiferroic composites

B. C. Das, Md. F. A. Khan and A. K. M. A. Hossain

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Copper and rare earth TiO₂ nano-heterostructure as a bifunctional material

M. P. Seabra, D. M. Tobaldi, R. A. S. Ferreira, L. D. Carlos and J. A. Labrincha

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Synthesis and oxidation resistance of nanostructured two-dimensional WS₂

A. H. Kumar, B. Padya and J. Joardar

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Evidence for spin glass transitions in multiferroic (1−x)BiFeO₃–xBaTiO₃ solid solutions

A. Kumar and D. Pandey

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Study of a TCS activated by light in Brucella abortus

S. Klinke, I. Fernandez, G. Sycz, L. Otero, J. Rinaldi and F. Goldbaum

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Diabetogenic T cell recognition of an insulin antigen

S. Dai, Y. Wang, J. Kappler, A. Novikov and F. Crawford

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Structural biology of c-di-GMP mediated signaling

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Unconventional peptide presentation by major histocompatibility class I allele HLA-A*02:01

S. G. Remesh, M. Andreatta, Ge Ying, T. Kaever, M. Nielsen, C. McMurtrey, W. Hildebrand, B. Peters and D. Zajonc

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The regulatory function of netrin-4 and interactions with netrin-1 receptors

M. D. McDougall, R. Reuten, T. Patel, M. Meier, D. Nikodemus, M. Koch and J. Stetefeld

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Structural and biochemical characterization of the 4-1BB/4-1BBL/galectin-9 signaling axis

A. Bitra and D. M. Zajonc

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Antitumor/antiviral drugs target on STING

X. Du, H. Zhang, M. Han, J. Tao, X. Che, Z. Ye, Z. Jiang, Y. Gao and X. Su

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Crystal structure of the new superconductor FeSe_1−xS_x

K. V. Frolov, A. G. Ivanova, D. Yu. Chernishov, I. Dovgaliuk, D. A. Chareeev and I. A. Troyan

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Supramolecular gel to metal–organic framework transformation

A. Chakraborty and R. Banerjee

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Silver gelation-promoted solid-state [2+2] reaction of unsymmetrical olefin-containing ligand

K. S. N. Konavarapu and K. Biradha

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Supramolecular metallogelator: the pivotal role of aromatic solvents and anions

D. Das and K. Biradha

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Binder-modulated morphology and photo-responsive white light emission in MOC-derived hydrogel

P. Sutar and T. K. Maji

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Growing crystals: teacher support in the use of science labs

A. Serquis, A. Pullao, P. Berger, S. E. Dubois, C. Brachetti, N. T. Schroh, V. Flores, N. Maglianos, P. Cabrera and A. Raviolo

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Sowing crystals: crystal growth activities in Bariloche, Argentina

A. Serquis, V. Tognoli, M. Saleta, D. Tobia, M. D. Arce, M. Robles, J. Dorfman and P. Mateos

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Outreach activities at the Argentinian Association of Crystallography (AACr)

S. Klinke, F. Di Salvo, E. Freire, V. Fuertes, G. Narda, G. Polla, M. Rodríguez, A. Serquis, S. Suárez and D. Lamas

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Epitaxial growth from temporary exhibition to permanent museum in Parma

P. P. Mazzeo, S. Canossa, A. Bacchi, C. Massera, L. Marchiò, M. Amarante, A. Zappettini and M. Gorreri

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Progress and some results of the Cameroon OpenLab

P. Kenfack Tsobnang, O. Nana Ngnabeuye, J. Ngoune and I. Tonle

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Crystal growing competition for high school students in Argentina

F. Di Salvo, R. Baggio, E. Freire, V. C. Fuertes, S. Klinke, G. Polla, M. Rodríguez, S. Suárez and D. G. Lamas

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National crystal growing competition in Uruguay: three years of success

L. Suescun, I. Aguiar, N. Alvarez, M. Barros, I. Galain, R. Keuchkerián, M. Mombrú, I. Núñez, G. Peinado and M. Rodríguez

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Structural approaches to understanding influenza virus replication and transcription

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Small-angle neutron scattering for the study of biomacromolecular complexes

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Structural basis for an autoubiquitination-targeted lysine by E2-E3 complex

M. Anandapadamanaban

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Structural studies of dynamic CD4 changes relevant to HIV infection

J. A. Channell, M. Moulin, G. Owen, N. Cerutti, M. Haertlein, E. Mitchell, M. Papathanasopoulos and T. Forsyth

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Structural characterization of pseudo-dihyroorotase domain in yeast URA2

Y. Jeon, I. Ross, M. Landsberg, B. Hankamer and B. Kobe

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A data dictionary for archiving integrative/hybrid models

B. Vallat, B. Webb, J. Westbrook, A. Sali and H. Berman

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Metal–organic frameworks – energy and environmental applications

P. K. Thallapally, J. De Yoreo, J. Liu, M. Sushko, D. Banerjee, J. Tao, S. Billinge, S. Ghose and M. W. Terban

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Lanthanide metal–organic frameworks: synthesis and applications

W. Shi, X. Zhang and P. Cheng

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Targeted synthesis of porous aromatic frameworks

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Mechanical alloying of MOFs and selective capture of 1,3-butadiene

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Covalent organic framework thin films for molecular separation

K. Dey and R. Banerjee

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Computational exploration of interesting gas adsorption/separation in MOFs

R. S. Pillai and G. Maurin

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Recent adventures with porous materials: triggered release and anti-aging membranes

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Three-dimensional reciprocal-space map measurements for ultrathin polycrystalline materials

J. Channagiri, S. Zhiou, P. Rodriguez, F. Nemouchi, N. Blanc, N. Boudet and P. Gergaud

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Metal–organic framework as efficient electrocatalyst for oxygen evolution reaction

J.-P. Zhang, P.-Q. Liao and X.-M. Chen

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Decoding the morphological diversity in two-dimensional crystalline porous polymers

A. Halder and R. Banerjee

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Temperature evolution of microstructure of deformed submicrocrystalline Cu–Zr samples

R. Kuzel, Z. Matej, M. Dopita, M. Janecek and J. Straska

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High-temperature three-dimensional RSM, phase transition and stress relaxation in pure zirconia

R. Guinebretière, T. Ors, V. Michel, O. Castelnau, M. Huger, E. Thune, N. Blanc and N. Boudet

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Study of multilayer microstructure by XRD using noncoplanar measurement geometry

A. Ulyanenkov, S. Vlasenko, V. Uglov, G. Abadias, A. Benediktovitch, J. O'Connell and A. J. van Vuuren

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Powder X-ray diffraction applications with single-crystal diffractometers

B. He, B. Noll and C. Campana

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Resonant diffraction study of structural disorder in Nb₃Sn

R. Svetogorov, Y. Zubavichus, S. Shavkin, A. Ryazanov, R. Flukiger, E. Semenov, L. Bottura and C. Scheuerlein

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An approach to identify the atomic arrangement in nanometre-range size

H. Ozawa, E. Nishibori and Y. Moritomo

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TOPAS – programming ideas

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Crystal structure solution from thin films: software requirements

R. Resel and A. O. F. Jones

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Exhaustive symmetry mode searches: phase transitions in pyrochlore Bi₂Sn₂O₇

J. W. Lewis, J. Payne, I. Evans, H. Stokes, B. Campbell and J. Evans

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Modern machine-learning tools for crystallography

P. Bosetti, M. Ragni and M. Leoni

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New refinement approach for crystal structure analysis of organic compounds

A. Sasaki and H. Konaka

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Imaging of crystalline regions in cotton fibers using powder XRD

V. V. Manju, T. G. Urs, S. Divakara and R. Somashekar

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Predictive modeling of resonant inelastic X-ray scattering with OCEAN

J. T. Vinson, T. Jach, M. Müller, R. Unterumsberger and B. Beckhoff

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X-ray Raman scattering spectroscopy at the ESRF

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The endstation NanoPES at the Kurchatov synchrotron radiation source

R. Chumakov, K. Menshikov, A. Lebedev, N. Svechnikov, V. Stankevich, V. Nazin and M. Tsetlin

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Development and application of X-ray quantum crystallographic methods

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Advanced tools for charge-density refinement and estimation of errors

C. Jelsch, B. Guillot, T. Leduc and B. Fournier

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MO determination from experimental X-ray structure factors of diformohydrazide

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Waverfunction refinement-derived spin density of two cAAC-SiCl₃ polymorphs

B. Dittrich, M. Flatken and D. Jayatilaka

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Core electron deformation in silicon from powder X-ray diffraction

K. Tolborg, M. R. V. Jørgensen, H. Kasai, J. Becker, A.-C. Dippel, J. Als-Nielsen and B. B. Iversen

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Topological analysis of hydrogen bonds and interaction energies in proteins

S. K. Mandal, B. Guillot and P. Munshi

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Enlightening macromolecular structure–function relationship with Proteopedia

J. Prilusky and J. Sussman

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Structural view of biology: exploring new perspectives for deeper learning

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Disease to therapeutics via three-dimensional structures: stories from the viral world

U. Kulkarni-Kale

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PDBe: bringing structure to biology and beyond

M. J. Conroy and S. Velankar

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SASBDB and DARA as biological solution-scattering teaching tools

A. Kikhney, A. Panjkovich and D. I. Svergun

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Play with three-dimensional structure data of biomolecules – PDBj

H. Suzuki, G.-J. Bekker, T. Kudo, A. R. Kinjo, K. Kinoshita, G. Kurisu and H. Nakamura

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Teaching undergraduates about structure using database examples

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Crystallography as an introduction to cheminformatics

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Teaching crystallography using the Powder Diffraction File

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Representation of physical properties in the Material Properties Open Database

E. E. Villalobos, L. E. Fuentes-Cobas, D. Chateigner, G. Pepponi, S. Grazulis, V. Barrera, R. Dominguez and L. Fuentes-Montero

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X-ray crystallography and spectroscopy of metalloenzymes using drop-on-tape method

J. Yano, F. Fuller, S. Gul, I. Young, R. Chatterjee, A. Brewster, A. Orville, N. Sauter, J. Kern and V. Yachandra

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A molecular movie of structural changes in bacteriorhodopsin

E. Nango and So Iwata

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Virus structures recovered from correlations in scattered XFEL pulses

R. Kurta, J. Donatelli, C. Yoon, A. Aquila, P. Zwart and A. Mancuso

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On-demand acoustic methods for time-resolved structural biology

A. M. Orville, F. D. Fuller, S. Gul, J. Kern, P. Aller, B. Andi, A. Brewster, N. Sauter, V. Yachandra and J. Yano

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Versatile and efficient rapid-mixing liquid jets

D. C. F. Monteiro, F. Kopf, R. Fuchs and M. Trebbin

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Serial synchrotron crystallography at EMBL PETRA III beamline P14

J. Hakanpää, G. Bourenkov, I. Karpics, G. Pompidor, I. Bento and T. Schneider

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On-site analysis of paintings by using portable instruments

I. Nakai and Y. Abe

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Getting more for less: adaptive X-ray fluorescence sampling for imaging

M. Walton, G. Pastorelli, E. Pouyet, A. Katsaggelos, O. Cossairt and Q. Dai

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Combining characterization techniques at the NSLS-II

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Disordered zeolite solved by combining electron diffraction, HRTEM and XRPD

M. O. Cichocka, Y. Lorgouilloux, B. Bellet, S. Smeets, J. Su, P. Caullet, N. Bats, L. B. McCusker, J.-L. Paillaud and X. Zou

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Crystallochemical characterization of polyoxometalate new minerals

M. B Andrade, D. Atencio and J. Ellena

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Tailoring molecular multiferroic compounds: neutron studies on formate frameworks

L. Cañadillas-Delgado, L. Mazzuca, O. Fabelo, J. A. Rodríguez-Velmazán, F. Lloret and J. Rodríguez-Carvajal

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Scanning transmission electron microscopy assessment of a metal–organic framework compound

P. Moeck, B. L. Mehdi, A. Stevens, P. DeStefano and N. Browning

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Hydrogen bonds and halogen bonds: solid state, solution phase and theory

L. Brammer, C. C. Robertson, C. A. Hunter and R. N. Perutz

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Molecules to materials: supramolecular synthons and two-dimensional metal–organic nanosheets

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Guest exchange and guest influence in dynamic frameworks

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Identifying non-conventional supramolecular synthons in the crystalline state

E. R. T. Tiekink

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Chiral hydrogen-bonded chains: a key to non-centrosymmetric co-crystals of 3,5-dinitropyridine-2(1H)-one

I. Fedyanin and K. Lyssenko

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Bond-valence vector model in analysis of boron coordination sphere

I. D. Madura, K. Kopczyńska and J. Zachara

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Correlating the chronology and local structure of energy materials

D. Olds, J. Liu, J. Kim, P. Peterson, K. Lawler, P. Forster, A. Packlar, J. Neilson and K. Page

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Development of operando techniques for battery study using SPICA

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In situ synthesis and reduction of functional sulfides

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New techniques to determine structural transformations of active catalysts

J. Hanson, S. D. Senanayake, D. Salazar, M. Abeykoon, G. Tutuncu and A. Yakovenko

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In situ XRD study of Mn-containing oxide catalysts

O. Bulavchenko, S. Cherepanova, E. Gerasimov, O. Venediktova and S. Tsybulya

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Structurally exploring multi-component equilibrium in biological systems

H. Kamikubo and Y. Yamazaki

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Combined SAXS and microfludics for time-resolved structural studies of biomolecules

L. Arleth, G. Vestergaard Jensen, P. Huda, S. Skou, W. Shang and S. Chakravarthy

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High-throughput BioSAXS at ESRF BM29

M. E. Brennich and P. Pernot

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Coupling microfluidics and SAXS to study the whole crystallization process

S. Teychené, D. Radajewski, N. V. Pham, I. Rodriguez-Ruiz, P. Pernot, M. Brennich, T. Bizien, B. Biscans and F. Bonneté

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High-flux time-resolved experiments and anomalous scattering at EMBL P12 beamline

A. Gruzinov, C. E. Blanchet, M. A. Schroer, D. C. F. Wieland, A. Spilotros, D. Franke, N. Hajizadeh, C. M. Jeffries, S. Fiedler, S. Filippov, M. Roessle, G. Katona and D. I. Svergun

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Synthetic polymers: WAXS and SAXS methods to understand materials functionality

A. Neels, G. Siqueira, M. Hausmann, T. Zimmermann, S. Dalle Vacche, Y. Leterrier and A. Dommann

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EXAFS at the future diffraction-limited storage ring PETRA IV

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Novel plasmon-coupling theory for XAFS and diffraction

C. T. Chantler and J. Bourke

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FPMS code with an interface to electronic structure codes

K. Hatada, F. Ota, N. Komiya and J. Xu

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Creating a robust, extensible XAS data standard

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ParSeq: parallel execution of sequential data analysis applied to XAFS

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XAFS, fluorescence, XANES, RIXS, XERT data formats and coding

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Biomimetic citrate-coated nano-apatites for biomedical and industrial applications

J. Gomez Morales

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Accuracy in quantitative phase analysis: the impact of instrument geometry

M. R. Rowles and C. E. Buckley

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Polytypism in natural SiC using Laue microdiffraction at ALS 12.3.2

C. V. Stan, E. F. O'Bannon, L. F. Dobrzhinetskaya and N. Tamura

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Synthesis and characterization of multifunctional mineral beyerite (CaBi₂O₂(CO₃)₂)

M. Pokhriyal, V. Malik and S. Uma

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Iron oxide for arsenic removal in water: synthesis and characterization

L. G. Romero-Esquivel, J. M. Cubero-Sesin and J. Velverde-Cerdas

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Local structures of Ca, Ti, Fe in shergottite fusion glass

T. Tobase, M. Nespolo, A. Yoshiasa, H. Hongu, H. Isobe, M. Okube, H. Arima and K. Sugiyama

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Past and future uses of raw diffraction data

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A public database of macromolecular diffraction experiments

M. P. Grabowski, M. Cymborowski, P. Sroka, P. Porebski, D. Cooper and W. Minor

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Treatment of X-ray diffraction data at Diamond Light Source

J. Parkhurst, G. Winter, R. Gildea, M. Gerstel, K. Levik, I. Sikharulidze, D. Hall, K. McAuley, G. Evans and A. Ashton

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To merge or not to merge; to spline or ...

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Macromolecular diffraction data fit for archiving

A. Foerster, M. Mathes, S. Brandstetter and C. Schulze-Briese

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Crystallographic metadata from a front-end perspective

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Structural studies of clinical resistomes

A. M. Berghuis and A. Bassenden

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Studies of prokaryotic Type II topoisomerase drug inhibition

M. R. Sanderson, I. Laponogov, X. Pan, D. A. Veselkov, I.M.-T. Crevel, J. Selvarajah, A. Branstrom, R. Cirz, H. E. Moser and L. M. Fisher

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Allosteric mechanism in PBP2a controlling resistance of methicillin-resistant Staphylococcus aureus

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Structure and mechanistic insights into F/R1 plasmid conjugative relaxase

A. Ilangovan, C. Kay, E. Zechner, G. Zanetti and G. Waksman

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Structural basis of nonhaemolytic nature of pneumolysin from strain ST-306

D. Badgujar, A. Anil, P. More, S. Sarkar, R. Banerjee, A. Banerjee and P. Bhaumik

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Crystal structure of an antigenic outer-membrane protein from Salmonella typhi

C.-J. Chen, H.-H. Guan, M. Yoshimura, P. Chuankhayan, C.-C. Lin and N.-C. Chen

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In silico characterization of a potential Zn²⁺ ABC transporter

S. K. Mandal and S. P. Kanaujia

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Exploring the salt–co-crystal continuum with ssNMR using natural abundance samples

M. Banik, L. Rajput, J. R. Yarava, S. Joseph, M. K. Pandey, Y. Nishiyama and G. R. Desiraju

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Three-dimensional structure syn/anti isomers of a valin hydrazone

D. Cela, R. Nepravishta, W. Mandaliti, E. Tatar, S. Şenkardeş, I. Küçükgüzel, S. G. Küçükgüzel and M. Paci

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Structure, disorder and function of supramolecular polymer additives

J. Senker, C. Zehe, M. Schmidt, J. Hill, R. Siegel, V. Daebel, K. Kreger, A. Goodwin and H.-W. Schmidt

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Development of data collections of SPring-8 MX beamlines

N. Mizuno, K. Hasegawa, S. Baba, H. Okumura, N. Nuemket, H. Murakami, Y. Nakamura, M. Yamamoto and T. Kumasaka

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Multilayer optics and scatterless apertures for high-brilliance X-ray sources

J. Wiesmann, J. Graf, A. Stricker and C. Michaelsen

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Imaging H-atom behaviour on I19, Diamond Light Source

L. Saunders, H. Nowell, D. Allan and C. Wilson

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Conformational plasticity in the regulation of nuclear receptor gene transcription

P. Bernado, T. N. Cordeiro, A. Le Maire, P. Barthe, F. Allemand, A. Barducci, C. Ebel, G. Pierre, N. Sibille and W. Bourguet

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Unravelling transthyretin amyloidosis by neutron crystallography

A. W. Yee, M. Moulin, M. Blakeley, J. Cooper, M. Haertlein, E. Mitchell and T. Forsyth

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ATSAS 2.8 software for small-angle scattering from macromolecular solutions

A. Panjkovich, D. Franke, M. V. Petoukhov, P. V. Konarev, A. Tuukkanen, H. D. T. Mertens, A. G. Kikhney, N. Hajizadeh, C. M. Jeffries and D. I. Svergun

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Inside structure of the EFL1, SBDS and their complex

D. Siliqi, N. Sanchez-Puig, D. Altamura, A. Gijsbers, A. Méndez-Godoy, C. Giannini and M. Saviano

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Netrin4 and laminin gamma-1 interact via their N-terminal globular domains

T. Patel, M. McDougall, R. Reuten, D. Nikodemus, M. Meier, M. Koch and J. Stetefeld

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Cooperativity of folding in multidomain surface adhesins containing intramolecular cross-links

C. J. Squire, Y. Yosaatmadja, E. Baker and P. Young

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MSOX crystallography and simulations to capture redox enzyme catalysis

M. A. Hough, D. Kekilli, S. Horrell, K. Sen, C. Yong, T. W. K. Keal, S. V. Antonyuk, R. R. Eady, S. S. Hasnain and R. W. Strange

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Integrating SEC-SAXS with MALLS/QELS/RI at the EMBL-P12 bioSAXS beamline

C. M. Jeffries, M. A. Graewert, A. Panjkovich, Z. Pietras, H. D. T. Mertens, C. Blanchet, D. Franke and D. I. Svergun

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Trapping a long-lived dark state in photoconvertible fluorescent protein mEos4b

E. De Zitter, R. Berardozzi, M. Byrdin, V. Adam, P. Dedecker, L. Van Meervelt and D. Bourgeois

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Towards non-crystalline protein structure determination by Bayesian RMC

P. M. Maffettone

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Structure assembly mechanism of rice dwarf virus

A. Higashiura, Y. Nakamichi, N. Miyazaki, K. Tsutsumi, K. Murata, T. Omura and A. Nakagawa

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Automation and inclusion of additional information for biological solution SAXS

N. R. Hajizadeh, D. Franke, A. G. Kikhney and D. I. Svergun

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Resolution and validation of SAS-based structural models

A. T. Tuukkanen, G. J. Kleywegt and D. I. Svergun

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Current status of protein crystal exchange robots at the Photon Factory

M. Hiraki, N. Matsugaki, Y. Yamada, M. Hikita and T. Senda

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Characterizing proteins using SAXS on a multi-purpose laboratory X-ray diffractometer

A. J. Schierbeek, J. Bolze, G. Nénert and D. Beckers

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BioSAXS-2000 AUTO: biological solution scattering in the home laboratory

J. Ferrara, M. Del Campo, T. Hendrixson, C. Acheson, K. Sasaki, P. LeMagueres and A. Criswell

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Hybrid methods guide structure-based vaccine design for picornaviruses

A. Kotecha, J. Seago, M. Bahar, C. Porta, B. Charleston, E. Fry and D. Stuart

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Coordination polymers in remediation of oxoanion pollutants and toxic dyes

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Crystal structure and Hirshfeld surface analysis of novel pyrazole derivatives

K. Kumara, S. Naveen and N. K. Lokanath

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Amide–pseudoamide motif in the co-crystal of theophylline and bis(amide) conformers

D. Markad and S. K. Mandal

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Designing two-dimensional organic–inorganic structures: piperidinium derivates of lead chlorides

P. Socha, L. Dobrzycki and M. K. Cyranski

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Validation of experimental charge-density refinement strategies

R. Herbst-Irmer, L. Krause and D. Stalke

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Experimental electron density of [Cu(2,2′-bipyridine)NO₃]NO₃

B. L. Rodrigues and N. R. Pineda

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Single-crystal X-ray diffraction investigation of β-rhombohedral boron

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LiteMol: web-based three-dimensional visualization of macromolecular structure data

M. J. Conroy, D. Sehnal, M. Deshpande, R. Svobodova, S. Mir, K. Berka, A. Midlik, S. Velankar and J. Koca

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PDB-101: educational portal for molecular explorations through biology and medicine

C. Zardecki, C. Christie, S. Dutta, D. S. Goodsell, R. Lowe, C. Randle, W. Tao, M. Voigt, J. Woo and S. K. Burley

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Insights into the oxygen-evolving mechanism of photosynthesis using XFELs

I. D. Young, M. Ibrahim, R. Chatterjee, F. Fuller, S. Gul, A. Brewster, N. Sauter, J. Kern, V. Yachandra and J. Yano

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Type I C=S⋯S=C interactions

R. Shukla and D. Chopra

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Crystal engineering of self-complementary NH⋯N chloro-triazine tapes

C. E. Marjo, M. Bhadbhade, N. Kumar, V. Aldilla, A. Rich and S. Bhattacharyya

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Synthesis, crystal structure and theoretical study of a new carbohydrazide

R. Mendoza Meroño, R. Soria Martinez, K. Merz and S. García Granda

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Designing multi-component molecular crystals: a crystal engineering approach

M. Paul and G. R. Desiraju

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Molecular recognition to self-assembly mediated by supramolecular interactons

V. Madhu, J. Pitchaimani and P. A. Savarimuthu

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Multicomponent dithiadiazolyl crystals as a route to novel magnetic materials

T. Carstens and D. A. Haynes

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Cobalt(III) amine complexes as amide-bond cleavage agents

C. Arderne, A. Muller and S. E. Nyathi

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Molecular crystals of o-phenylenediamine with organic dicarboxylic acids

R. Pallepogu and R. Mishra

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Rationalisation and prediction: a curious case of aniline–phenol recognition

A. Sood and G. R. Desiraju

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How C—H-based interactions affect the packing of mercury halide complexes

A. Salimi, A. Samie and J. C. Garrison

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Quantum mechanical synthon interaction energies

D. Jayatilaka, S. Thompson, S. Thomas, P. Spackman and M. Spackman

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Supramolecular synthetic protocols for targeting specific topologies of metal-containing solids

M. Dakovic, M. Borovina and I. Kodirn

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Supramolecular effects on structure of N,N′-di(methoxyacetyl)indigo

K. J. Haller and P. Meenongwha

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Inductive and supramolecular effects in 2-amino-N-(2-hydroxyphenyl)benzamide

J. P. Haller, W. Thaenghin, W. Un-chai and K. J. Haller

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Status of the EMBL BioSAXS beamline P12 at PETRA III

C. E. Blanchet, M. A. Schroer, A. Yu. Gruzinov, A. Spilotros, M. A. Graewert, D. Franke, N. R. Hajizadeh, C. M. Jeffries, S. Fiedler and D. I. Svergun

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METALJET source for in situ SAXS studies in the home laboratory

J. Hallstedt, E. Espes, U. Lundström, B. Hallstedt, O. Hemberg, M. Otendal, T. Tuohimaa and P. Takman

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Small-angle X-ray scattering studies of flaviviral NS3

A. Pan, W. G. Saw, M. S. S. Manimekalai, A. Grüber and G. Grüber

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High-throughput biological solution SAXS instrumentation for the home laboratory

S. Skou, S. Rodrigues, P. Hoghoj and F. Bossan

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Scrutinizing XAFS spectroscopy and biocompatibility of N-doped edge-functionalized graphene oxide

G. Avashthi, S. S. Maktedar and M. Singh

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Syngenite and gypsum minerals in aging Equisetum arvense

H.-S. Sheu, C.-K. Chang, Y.-C. Chuang and Y.-C. Lai

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The energy state of electrons in Mn-ferrite by XRS

M. Okube and S. Sasaki

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Mineralogical composition of Rrogozhina aquifer medium, Western Albania

E. Beqiraj, D. Siliqi, F. Capitelli, A. Beqiraj and S. Luzati

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Streptococcus pneumoniae: choosing rational protein targets for novel drug targets

A. Riboldi-Tunnicliffe

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Role of ribosomal modifying methytransferases in antibiotic resistance

R. N. Bhujbalrao and R. Anand

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Sigma anti-sigma factors involved in iron homeostasis in Pseudomonas aeruginosa

G. P. Casas, I. Lamont, M. A. Perugini and M. J. Maher

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Decoding the nature of hydrophobic interactions in caffeine molecular complexes

S. Sarkar, S. P. Thomas and T. N. Guru Row

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Investigation of topological and electrostatic properties of anti-inflammatory drug aceclofenac

N. D. Rajendran, C. Jelsch, I. Samuel and E. Aubert

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Structure, charge density and energetic features of quinoline derivatives

M. Woinska, M. Nowakowska, P. Taciak, P. M. Dominiak and K. Wozniak

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Charge-density study of bis(clonixato)bis(ethanol)bis(imidazole)copper(II) complex

P. Herich, J. Moncol, J. Koziskova and J. Kožíšek

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Introducing iterative X-ray wavefunction refinement

R. Pal, E. Hupf, D. Jayatilaka and S. Grabowsky

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Charge-density studies of multicomponent crystals containing API sulfanilamide

J. Wojnarska, M. Gryl, T. Seidler and K. Stadnicka

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Reconstruction of charge density of vitamin D analogues

M. A. Wanat, M. Malinska and K. Wozniak

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Charge-density and electrostatic properties of curcumin: an experimental study

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Charge-density study of [Cu^I/II(bite)]^+/2+ (bite = biphenyldiimine dithioether) complexes

M. Fronc and J. Kožíšek

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Thermomechanical effect of molecular crystals and role of halogen bonding

S. Mittapalli, D. S. Perumalla and A. Nangia

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Crystal structures and dielectric responses of collective in-plane molecular rotator

T. Akutagawa and J.-i. Ichikawa

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Crystal engineering of multifunctional materials

S. Joseph and G. R. Desiraju

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Single-crystal-to-single-crystal phase transition by thermosalient effect in isomorphous Schiff base

R. Devarapalli, C.-T. Chen, G. S. Jung, R. K. Gamidi, S. Kadambi, U. Ramamurty, M. J. Buehler and C. Malla Reddy

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Crystal structures and phase transition behaviors of pillar[n]arene crystals

Yu Aoyama, Y. Shimada, S. Akine, T. Ogoshi, T. Takeda, H. Hoshino and T. Akutagawa

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Crystal structures and dielectric responses of guanidinium sulfonate salts

T. Kobayashi, N. Hoshino, T. Takeda and T. Akutagawa

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Crystal structures and fluorescence behaviors of 2-(2′-hydroxyphenyl)benzothiazole derivatives

Y. Nakane, T. Takeda, N. Hoshino, K.-i. Sakai and T. Akutagawa

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Structural control and physical properties of dianionic naphthalenediimide derivative

A. Kawasaki, T. Takeda, N. Hoshino and T. Akutagawa

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DABCO-based lattice framework for reversible chromic behaviors

M. Shiga and R. Tsunashima

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Light-induced mechanical effects displayed by organic molecular crystals

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Polymerization-induced photomechanical bending in single crystals

R. Samanta, S. Ghosh and C. Malla Reddy

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Tripartite competition in topochemical AAC-conformational motion in crystal

K. Hema and K. Sureshan

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Novel entacapone co-crystals and their physicochemical properties study

M. K. Bommaka, M. K. C. Mannava, K. Suresh and A. Nangia

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Ivabradine hydrochloride mandelic acid co-crystals: two peas in a pod

V. Sladkova, O. Dammer, E. Skorepova and B. Kratochvil

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Supramolecular synthon hierarchy in bumetanide co-crystals

S. Allu, G. Bolla, S. Tothadi and A. Nangia

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Novel solid forms of riluzole: prediction, synthesis and structure elucidation

B. A. Yadav, R. Chavan, S. Balasubramanian, R. Thipparaboina and N. Shastri

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Tuning photophysical properties via guest inclusion in an organic salt

A. Garai and K. Biradha

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Co-crystals/salts of furosemide: interesting case of colour co-crystal polymorphism

E. Sangtani, K. Jha, P. Munshi and R. Gonnade

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Effect of co-crystallization on physico-chemical properties of gefitinib

P. Palanisamy, A. Shaik, S. Kirubakaran and V. Thiruvenkatam

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Exploring ferroelectricity in organic salts or co-crystals

S. Dutta, A. Menon and P. Munshi

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Story of Sustentials curcumin: a more bioavailable synergistic nutraceutical combination

S. Roy, B. Meshiya, S. Reddy and A. K. Kruthiventi

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Crystal engineering of organic compounds for solid-state reactions

D. C. Levendis, S. Khorasani, S. Delbert and M. A. Fernandes

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In situ chloride oxidation-mediated formation of perchloromolybdate-type polyoxometalates

S. Paul and S. Roy

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Nanomotors: autonomous motion-induced chemically inactive soft oxometalates (SOMs)

A. Mallick, D. Lai and S. Roy

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Solid-state photo-induced charge transfer in Keggin-based hybrid materials

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Investigating the binding mechanism of polyoxometalates towards proteins

L. Vandebroek, T. N. Parac-Vogt and L. Van Meervelt

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Synthesis and X-ray characterization of a new hybrid-based polyoxometalate

M. Bazargan, M. Mirzaei, M. Samanian, A. Najafi and J. Mague

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Halogen–halogen interactions in the light of geometric correction

B. K. Saha, S. A. Rather and A. Saha

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Crystal structure of 1-(3-chlorophenyl)-3-(5-chlorothiophen-2-yl)-5-phenyl-4,5-dihydro-1H-pyrazole

K. L. Jyothi, S. Naveen and N. K. Lokanath

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Hydrogen bonding and secondary interactions in halogenated complexes

F. M. Amombo Noa, S. A. Bourne and L. R. Nassimbeni

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Columnar/lamellar packing in co-crystals of arylbipyridines with diiodoperfluorobenzene

R. Ramakrishnan, A. R. Mallia, M. A. Niyas, R. Sethy and M. Hariharan

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Crystal engineering of functional materials via halogen bonding

A. Goswami and K. Biradha

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Single-crystal XRD structural elucidation of halogenated host–guest compounds

H. Su, F. M. Amombo Noa, S. A. Bourne and L. R. Nassimbeni

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Do halogen bonds dictate the packing preferences in solid solutions?

T. Pramanik and T. N. Guru Row

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Preparation of non-covalent organic frameworks using dodecasubstituted porphyrin

K. J. Flanagan and M. O. Senge

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Halogen bonding in 4-cyanopyridine co-crystals with halogenated benzoic acid

A. Sowmya and G. N. Anil Kumar

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Developing techniques for the structure determination of fatty esters

P. Siriyara Jagannatha, C. Slabbert, M. Fernandes and A. Lemmerer

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Temperature dependence of the structure of 2-(2′-hydroxyphenyl)benzimidazole studied by neutrons

T. Ohhara, R. Kiyanagi, A. Nakao, K. Munakata, T. Moyoshi, T. Hanashima and T. Hosoya

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Synthon evolution in trifluoromethyl anilines: in situ cryocrystallographic study

S. Ranganathan and M. Nethaji

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Crystal engineering of multicomponents and the impact of high pressure

L. E. Connor, G. W. Halbert and I. D. H. Oswald

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Investigation of intra- and intermolecular F⋯O contacts in crystals

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Polymorphism involving multiple molecules in asymmetric unit of trifluoromethylated phenylbenzamide

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Polymorphism and phase transitions of the muscle relaxant thiocolchicoside

G. Diaz De Delgado, R. A. Toro H., J. H. Quintana, J. A. Henao Martínez and J. M. Delgado Quiñones

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Sublimation catalysis and polycrystalline powder templates for polymorph control

P. McArdle, N. Kamali, C. O'Malley, K. Gniado and A. Erxleben

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Crystallization of tetrolic acid in ionic liquids: tuning anionic components

A. Mukherjee and A. S. Myerson

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Dependence of optoelectronic and mesophasic properties on crystal packing in OPEs

S. Bhattacharyya and T. K. Maji

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Exploring the structural landscape by chloro–methyl exchange

S. Chakraborty, S. Joseph and G. R. Desiraju

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Accessing polymorphs by a thermal gradient approach

B. Chattopadhyay and Y. Geerts

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SPAnPS – the radiant polymorphs

L. Krause, A.-C. Pöppler, S. P. Brown, R. Herbst-Irmer and D. Stalke

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Polymorphic nature of two organic zwitterions

J. Lombard, D. Haynes and T. le Roex

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Can hydrogen-bond dimensionality be used to control thermal expansion?

S. V. Ganesh and B. K. Saha

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Topochemical azide–alkyne cycloaddition reactions in crystals and organogels

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Solid-form screening of antiepileptic drug retigabine

R. Gautam, R. Kaur, S. Cherukuvada and T. N. Guru Row

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Thiourea-based ligands: intergrown polymorphism, and a new route to benzothiazoles

L. N. Dawe, Z. Schroeder, L. Hiscock, R. Edwards and P. Boyle

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New polymorph of ambrisentan: structural and biopharmaceutical implications

J. Haneef and R. Chadha

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Access to thermodynamically metastable polymorphs of vanadium(III) phosphate

S. C. Roy, T. Bredow and R. Glaum

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[2+2] solid-state photodimerisation in a ternary co-crystal: a synthon approach

K. B. Raju and C. M. Reddy

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Crystal doping of an energetic material to control its polymorphism

D. W. Ward, P. L. Coster and C. R. Pulham

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Reinvestigation of hypoxanthinium nitrate monohydrate structure

M. K. Cabaj, R. Gajda, A. Makal and P. M. Dominiak

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Polymorphs and solvates of encenicline hydrochloride

A. Kons and A. Actiņš

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Isostructurality-induced solid-phase transformations: a case study with lenalidomide

R. Chennuru, P. Muthudoss, R. S. Voguri, S. Ramakrishnan, V. Peddy, B. R. Ravichandra and S. Mahapatra

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SCSC metal–organic framework transmetallation: a successful case

P. P. Mazzeo, S. Canossa, P. Pelagatti and A. Bacchi

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Temperature-dependent conformational switching of alkyl chains in N-propyl-triazines

M. M. Bhadbhade, C. Marjo, V. Aldilla, A. Rich, N. Kumar and S. Bhattacharya

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Temperature-mediated polymorphism: impact on packing motifs and charge transport

R. M. Williamson, G. Collis, O. Jurchescu, V. Coropceanu, J.-L. Bredas, A. Fonari, Y. Shu, K. Goetz and L. Stevens

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Acyl-transfer reactions in molecular crystals: reactivity correlation with crystal structure

R. G. Gonnade and M. S. Shashidhar

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Crystal structure and polymorphism of a new larnite vanadate: NaSrVO₄

G. Nenert, P. O'Meara and T. Degen

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Visualization of non-covalent interactions in conformational polymorphs

A. V. Savchenkov and V. N. Serezhkin

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Supramolecular synthon and conformational polymorphism in thiazole carboxamide compound

F. Tavakoli Ghouchani, A. Salimi, B. Notash and J. C. Garrison

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The big bang theory: predicting energetic materials properties

A. A. L. Michalchuk, S. Piggott, I. Lapsanska, C. Pulham and C. Morrison

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Additive-induced capture of elusive polymorphs of conformationally flexible sulfonamides/sulfoesters

S. R. Shaikh, R. L. Gawade, D. K. Chakravarty, V. G. Puranik and R. Gonnade

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Crystal structure of carbon tetrachloride phase Ib

A. Fitch and J. Cockcroft

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Irbesartan crystal forms: thermodynamic and dissolution properties study

A. M. Araya-Sibaja, C. E. M. de Campos, J. R. Vega-Baudrit, T. Guillén Girón, M. Navarro Hoyos and S. L. Cuffini

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Metal–organic frame work of iron and urea

A. Sebastian, A. Nangia and M. N. V. Prasad

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Prediction of melting point of the co-crystals: ANN models

R. K. R. Gamidi, M. Ukrainczyk, J. Zeglinski and A. C. Rasmuson

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Development of pharmaceutically acceptable crystalline forms of APIs

V. K. Mudapaka, S. Ramakrishnan, S. R. Yarraguntla, S. R. Peddireddy, S. L. Kanniah, L. Kanwar, S. Mahapatra, A. B. Mohammad, V. Peddy and P. W. Stephens

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Concomitant dimorphism in diphenyl (3,4-difluorophenyl)phosphoramidates

A. Hasija and D. Chopra

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Cryo-EM in the age of X-ray crystallography

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Artificial synthesis of supramolecular protein structures

L. K. Y. Lee, M. Baker, C. W. Liew, S. Xu and J. Berengut

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How to solve, refine, validate and deposit difficult macromolecular structures

D. Borek and Z. Otwinowski

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Conquering non-isomorphism

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Online automated structure solution from multiple data sets

S. Panjikar, M. Weiss and V. Lamzin

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A novel method in modelling diffuse scattering in protein crystallography

T. De Klijn and L. M. J Kroon-Batenburg

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Refinement of macromolecular structures at low resolution

O. Kovalevskiy, R. A. Nicholls and G. N. Murshudov

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Chemistry of labile small sulfur allotropes in interactive coordination networks

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Hybrid halogen-bonded frameworks: topology variety and molecule sorption properties

G. Terraneo, L. Colombo, P. Metrangolo and G. Resnati

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Open channels in porous molecular crystals: host–guest structures and interactions

H. Uekusa, K. Fujii, K. Johmoto, Y. Kikuchi, H. Takahagi, K. Ono, N. Iwasawa, Y. Miyauchi and K. Tanaka

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Chiral crystalline sponges: absolute structure determination of chiral guests

Y. Inokuma, T. Arai, K. . Yan, R. Dubey, H. Sun and M. Fujita

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Coordinative alignment of molecules in chiral metal–organic frameworks

E. Kapustin, S. Lee and O. Yaghi

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Structural diversity of coordination polymers derived from imidazole-based ligands

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Localization–delocalization matrices: bridging QTAIM and chemical graph theory

C. Matta, R. Cook, I. Sumar and P. Ayers

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Co-crystal versus salt: effect of crystal environment on molecular interactions

E. Espinosa, E. Aubert, O. Makhotkina, I. Nicolas, J. Lieffrig, O. Jeannin and M. Fourmigué

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Using electron density to understand co-crystal structures

J. Contreras-Garcia and M. Calatayud

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Using charge density to understand structure–property relationships in pharmaceutical co-crystals

S. J. Coles, L. Mapp and S. Aitipamula

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Efficient organic NLO material: charge-density analysis and device fabrication

K. K. Jha, S. B. Srivastava, S. P. Singh and P. Munshi

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Cluster analysis of functional-group polarizabilities

M. Ernst, L. H. R. Dos Santos, A. Krawczuk and P. Macchi

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Applications of X-ray powder diffractometry in preformulation and formulation studies

R. Suryanarayanan

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Quantitative phase analysis of polymorphs using only observed integrated intensities

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Adenine phase transformations in situ: crystalline, non-crystalline and in between

D. Sisak Jung, T. Stolar, S. Correll and I. Halasz

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ICDD full diffraction pattern polymer project for biomedical materials characterization

T. N. Blanton, S. Gates-Rector, T. Fawcett and S. Misture

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Designed crystallization via sublimation

S. Mahapatra and R. Chennuru

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Anomalous thermal behaviour and diffuse scattering in cadmium cyanide

C. S. Coates, M. Baise, A. Simonov, B. Slater and A. Goodwin

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PXRD and SSNMR spetroscopy: complimentary techniques for polymorph identification

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Atomic structure of metal-ion battery cathodes with electron diffraction tomography

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Dynamical refinement of modulated structures against electron diffraction data

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Electron three-dimensional crystallography of protein crystals for visualization of charges

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Locate light elements by electron diffraction

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Structure of the SnO₂ (110)-(4×1) with LEED I(E)

K. Pussi, L. R. Merte, M. Jørgensen, J. Gustafson, M. Shipilin, J. Rawle, G. Thornton, R. Lindsay, B. Hammer and E. Lundgren

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Serial electron diffraction for phase analysis and structure determination

S. Smeets and W. Wan

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EXAFS and laser-driven compression at the Omega and NIF facilities

F. Coppari, D. B. Thorn, G. E. Kemp, R. S. Craxton, E. M. Garcia, B. Remington, Y. Ping, J. H. Eggert and M. B. Schneider

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RIXS at extreme conditions at the GALAXIES beamline

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Extreme condition beamline at SIRIUS to study rare earths and actinides

N. Marques De Souza Neto

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High-pressure XRD and XAS study of SnI₄

J.-P. Itié, E. Fonda, A. Polian and T. Irifune

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Crystal/magnetic structures, spin correlations and dynamics in Sr₂YRuO₆ double perovskite

E. G. M. Da Silva, S. Disseler, J. Lynn, R. Jardim and M. Torikachvili

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Magnetic frustration and random exchange in double perovskites

S. Vasala, O. Mustonen, M. Karppinen and E. Baggio-Saitovitch

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Polar and magnetic structures of NaLnCoWO₆ doubly ordered perovskites

C. V. Colin, P. Zuo, H. Klein, P. Bordet, E. Elkaïm, E. Suard and C. Darie

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Multiferroelectricity of corner-shared preovskite networks of manganese and oxygen

O. Chmaissem and B. Daborowski

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Insights on the structural tranformations in NBT-xBT from polarized Raman

G. De La Flor Martin, S. Gorfman, M. I. Aroyo and B. Mihailova

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Electric field-induced monoclinic distortion and polarization rotation in Na_0.5Bi_0.5TiO₃

S. Gorfman, H. Choe, N. Zhang, P. Thomas and U. Pietsch

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Complex mesoscale magnetic order in the Néel-type skyrmion material GaV₄S₈

J. S. White, S. Bordács, A. Butykai, R. Cubitt, C. Dewhurst, H. Rønnow, V. Tsurkan, A. Loidl and I. Kézsmárki

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Structural and magnetic investigations of new skyrmion phases

G. Balakrishnan, M. C. Hatnean, A. Stefancic and M. R. Lees

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Magnetic frustration in rare earth zirconate pyrochlores

M. Ciomaga Hatnean, M. R. Lees, O. A. Petrenko and G. Balakrishnan

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How skyrmion lattice forms and arranges

P. Huang, R. Jayaraman, Y. Murooka, M. Cantoni, A. Magrez, F. Carbone and H. Ronnow

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Magnetic quadrupolar order in the chiral square cupola compound BaTiOCu₄(PO₄)₄

H. M. Ronnow, P. Babkevich, L. Testa, K. Kimura, G. S. Tucker, B. Roessli and T. Kimura

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Signalling around DNA breaks – new tricks for old dogs!

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Regulation of RING ubiquitin ligases by small protein molecules

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How do MACPF/CDC pore-forming proteins punch holes in cells?

M. Dunstone, B. Spicer, S. S. Pang, C. Bayly-Jones and J. Whisstock

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Regulation of WWP2 ubiquitin ligase

S. B. Gabelli, Z. Chen, H. Jiang, D. Dempsey, L. M. Amzel, C. Wolberger, P. Devreotes and P. Cole

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Structural characterisation of SARM in axon degeneration and cell death

S. M. Horsefield, T. Ve, X. Zhang, L. Casey and B. Kobe

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Time-resolved mixing-jet X-ray free-electron laser crystallography experiments

D. Oberthuer, J. Knoška, M. O. Wiedorn, S. Bajt and H. N. Chapman

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Two-colour imaging of ultrafast magnetisation dynamics

C. von Korff Schmising

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Room-temperature femtosecond X-ray crystallography of photosystem II

J. Kern, A. Zouni, N. Sauter, J. Messinger, U. Bergmann, V. Yachandra and J. Yano

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Femtosecond structural dynamics of trans/cis isomerization in photoactive yellow protein

K. Pande and M. Schmidt

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Bimorph X-ray optics for time-resolved experiments

A. Kulikov, A. Blagov, N. Marchenkov, A. Targonsky, Y. Pisarevsky and M. Kovalchuk

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Minerals with metal–organic framework structures

T. Friscic, I. Huskic, S. Krivovichev and I. Pekov

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Adding flavours to our MOFs

A. Bacchi, D. Balestri, S. Canossa, N. Demitri, P. P. Mazzeo, P. Pelagatti and P. Scilabra

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Metal–organic frameworks with multi-components in order

Q. Li and B. Tu

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Bismuth coordination polymers: from centuries-old medicines to unprecedented topological complexity

A. K. Inge, Y. Wang, S. Takki, O. Cheung, H. Xu, W. Wan, L. Öhrström, X. Zou, M. O'Keeffe and N. Stock

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K₂Ce(PO₄)₂: a new complex phosphate of Ce^IV

S. Bevara, S. N. Achary and A. K. Tyagi

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Disintegrative versus restorative effects during motion and self-healing of crystals

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Gold isocyanide complexes with mechanical response

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Crystal jumping of alkyl acridone and its dicyanomethylenated derivatives

T. Takeda and T. Akutagawa

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Design of elastically bendable molecular crystals: implications for smart actuators

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Quantitative approaches to crystal engineering: applications to mechanical properties

S. P. Thomas, M. W. Shi, D. Jayatilaka and M. A. Spackman

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Third-generation crystal engineering. Hand-twisted helical crystals

S. Saha and G. R. Desiraju

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Feedback mechanisms in single-crystal-to-single-crystal solid-state reactions

M. A. Fernandes, S. Khorasani, D. S. Botes and D. C. Levendis

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Multi-scale three-dimensional characterization with dark-field X-ray microscopy

H. W. Simons, A. C. Jakobsen, S. R. Ahl, P. Cook, C. Detlefs and H. F. Poulsen

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Real-time chemical imaging of working catalytic membrane reactors

A. Vamvakeros, S. D. M. Jacques, V. Middelkoop, M. Di Michiel and A. M. Beale

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Orientation mapping of steel by scanning three-dimensional X-ray diffraction microscopy

Y. Hayashi, Y. Seno and T. Yoshida

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Sub-millimetre-resolved X-ray phase analysis for materials science

A. Veligzhanin, Y. Zubavichus, A. Chernyshov, R. Sundeev, A. Skorlupov and A. Shalimova

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Storage-ring X-ray sources

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The European X-ray Free-Electron Laser

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Recent progress of laser-driven intense X-ray sources and the appilcations

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Structural biology at the diffraction-limited synchrotron source MAX IV

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New dimensions for imaging and diffraction research at European XFEL

A. Blagov, V. Nosik, M. Rychev and M. Kovalchuk

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Development of automated home-laboratory beamlines

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PHASE beamline at Kurchatov synchrotron light source

R. Senin, M. Borisov, E. Mukhamedzhanov and M. Kovalchuk

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Reactivity of elements and compounds: results of sructure-prediction algorithm USPEX

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Triggering dynamic structural changes in lipid membranes

N. J. Brooks, N. McCarthy, A. Tyler, H. Barriga and S. Purushothaman

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Novel compounds synthesized at high pressure–high temperatures

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Novel modulated structure of superconducting hydrogen sulfide

J. S. Tse, A. Majumdar and Y. Yao

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High-pressure X-ray diffraction and Mössbauer spectroscopy study of Fe_1.087Te

J.-E. Jørgensen, M. Bremholm and P. H. Gunnlaugsson

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Putting pressure on WOMBAT – outcomes and unique capabilities

H. E. Maynard-Casely, S. Lee, N. Booth, A. Studer, V. Peterson, S. Duyker, K. Komatsu, R. Yamane, G. Murphy and T. Vogt

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Tc-enhancement of Fe_1+δSe by electrochemical lithium intercalation

E. Antipov, A. Alekseeva, O. Drozhzhin, O. Volkova, A. Vasiliev, D. Chareev and J. Grin

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The electron microscopy of superconducting materials

A. L. Vasiliev, A. V. Ovcharov and M. V. Kovalchuk

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Coexistence of superconductivity and ferromagnetism in Eu-based Fe pnictides

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Lattice location of Ta and Ti in doped Nb₃Sn

S. M. Heald, C. Tarantini, P. J. Lee, M. Brown and D. Larbalestier

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The different tiling of 12-fold rosettes in Moroccan geometric art

Y. Aboufadil, A. Thalal, K. Ait Rai, A. Jali, M. A. El Idrissi Raghni and A. Oueriagli

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Quantitative classification of periodic gray-level patterns by geometric AIC

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Crystallographic patterns in Philippine indigenous fabrics

Ma. L. A. Delas Penas, A. Garciano and D. M. Verzosa

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A generalized structural model for generating quasi-periodic formations

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Structure determination and annotation of serendipitously crystallized proteins

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De novo in vivo protein crystal structure: is experimental phasing required?

P. Montaville and L. Chavas

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Solving structures from in cellulo crystallized proteins: strategies and bottlenecks

L. Redecke, R. Schoenherr and J. M. Rudolph

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ContaMiner and ContaBase: automated identification of unwantedly crystallized protein contaminants

S. T. Arold, A. Hungler, A. A. I. Momin and K. Diederichs

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New in the ARCIMBOLDO toolbox for phasing with small fragments

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Unconventional molecular replacement for helical transmembrane proteins using AMPLE

F. Simkovic, J. Thomas, O. Mayans and D. Rigden

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Improving total scattering data in statistics through detector intensity calibration

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Understanding cement hydration by pair distribution function and Rietveld analyses

M. A. G. Aranda, A. Cuesta, J. D. Zea-Garcia, D. Londono-Zuluaga, I. Santacruz and A. G. De la Torre

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Laboratory X-ray diffractometer for PDF experiments using Ag radiation

R. K. Biswas, P. Khan, A. K. Mukhopadhyay, J. Ghosh and M. Kuttanellore

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Exotic structures and morphology control in nanomaterials: PDF insights

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Characterising amorphous pharmaceuticals using PDF methods

H. S. Geddes, A. Goodwin and H. Blade

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Crystallography, artificial intelligence and the interaction between atoms

X. Bokhimi, T. Schwedek and R. Rojas

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On the stability boundaries of the LaOAgS structure type

I. Plokhikh, D. Charkin and A. Kuznetsov

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Flexibility of dehydrated zeolite-X pores quantified by quantum modeling

P. H. J. Mercier and Y. Le Page

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Synthesis and structural elucidation of TiO₂ aggregates grown inside MOFs

S. Canossa, P. Pelagatti, C. Graiff, G. Predieri and A. Bacchi

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Co^II-doped metal–organic materials as efficient water oxidation catalysts

K. Maity and K. Biradha

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Large-volume press synchrotron experiments at high pressure–high temperature

C. Lathe and J. Lauterjung

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A modular chip-based sample delivery system for serial crystallography

A. Finke, J. Wierman, O. Paré-Labrosse, J. Besaw, A. Sarrachini, S. Oghbaey, M. Cook, D. Miller, S. Gruner and M. Szebenyi

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High-pressure phase transition in datolite

L. A. Gorelova, A. S. Pakhomova, S. V. Krivovichev, L. S. Dubrovinsky and G. Aprilis

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Effect of pressure on anisotropic momentum density of BeH₂ polymorphs

K. B. Joshi, D. K. Trivedi, K. L. Galav and B. K. Sharma

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Rocking-curve imaging for crystal lattice misorientation mapping

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Temperature-induced structural phase transition in hydrated minerals Na₆M(SO₄)₄ (M = Co, Ni)

V. Sharma, D. Swain and T. N. Guru Row

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Alluaudite polyanionic frameworks for rechargeable sodium-ion batteries

D. Dwibedi and P. Barpanda

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Fluorophosphate polyanionic frameworks for rechargeable batteries

L. Sharma and P. Barpanda

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Pyrophosphate family of polyanionic cathodes towards safe rechargeable batteries

R. Gond and P. Barpanda

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Polymorphism and structure of ion-conducting rare earth molybdates

A. Antipin, O. Alekseeva, N. Sorokina, A. Dudka and V. Voronkova

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Challenges and strategies for n-SAD phasing at longer X-ray wavelength

S. Basu, V. Olieric, T. Takashi, C.-Y. Huang, J. Wojdyla, N. Matsugaki and M. Wang

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Experimental and computational insights into energy contributions of intermolecular interactions

R. Bhowal and D. Chopra

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Charge-density study of halogen–halogen interactions in palladium(II) complex

J. Koziskova, P. Vranec, I. Potočňák and J. Kožíšek

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Structure of A–T–Al aluminides (A = actinide/lanthanide; T = transition metal)

L. Meshi, G. Yaniv, M. Sasportas and D. Fuks

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Crystal structure of antioxidant activity lanthanide(III) complexes with tridentate ligand

I. E. Thiam, M. N. Gueye, M. M. Sow, A. H. Barry, M. Gaye, P. Retailleau and R. G. Sylla

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Gauging the strength of donor–acceptor interactions in organic molecules

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S-Allyl dithiocarbazate: cell viability and role of ligand on coordination

Z. Yeke Ghasemi, R. Centore and R. Takjoo

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The crystal chemistry of sakuraiite

K. Momma, R. Miyawaki, S. Matsubara, M. Shigeoka, T. Nagase, S. Kamada, S. Ozawa, E. Ohtani, M. Shimizu and A. Kato

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Structural study of unusual coordination of mononuclear cobalt(III) complexes

S. K. Gupta, N. Sen, J. A. Ganaie and R. J. Butcher

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Studies on copper(II) complexes of N-pendant macrocyclic ligands

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Influence of various bidentate ligands on Rh^I complexes

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A series of one-dimensional terbium coordination polymers with benzoate derivatives

C. Theppitak, K. Chainok and F. Kielar

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Tuning of hydrogen-bonding network in functional material by deuteration

R. R. Choudhury and C. Radhakrishnan

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Influence of ligand modulation on proton conductivity in self-assembled architectures

R. Saha and P. S. Mukherjee

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Synthesis and crystal structural studies of (E)-3-(3-methylthiophen-2-yl)-1-p-tolylprop-2-en-1-one

B. Pramodh, N. K. Lokanath, S. Naveen and J. Joazaizulfazli

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Negative thermal expansion in isostructural Zn^II and Co^II L-malates

A. Krawczuk and A. Chojnacka

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Influence of synthetic conditions on the structures of cadmium complexes

Z. Nezhadali Baghan, A. Salimi, H. Eshtiagh-Hosseini and A. Oliver

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X-ray and DFT structural study of some carbazole-substituted imines

A. Berisha, A. Damoni, F. Capitelli, A. Moliterni, A. Altomare, B. Dida and D. Siliqi

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First-principles investigation of structural, electronic, optical properties of wurtzite structures

A. P. Gazhulina

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Theoretical investigations on structure and properties of metal-substituted pentazole

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Co^II dbm and apm complexes, chemical and biological activities

S. Boonyuen, S. Mingphimai, N. Phadungsak, K. Chainok and P. Na Nakorn

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A rare case of racemic solid solution in mercury complexes

Z. Momenzadeh Abardeh, A. Salimi and J. Garrison

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Polymorphism in mononuclear Fe^II complexes with Schiff base ligands

K. Chainok, J.-F. Létard, A. D. Rae, B. Moubaraki and K. S. Murray

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A ferromagnetic tetranuclear Cu^II complex: catecholase and phenoxazinone synthase activities

M. Mitra, T. Kundu, G. Kaur, G. Sharma, A. Roy Choudhury, Y. Singh and R. Ghosh

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Structural characterisation of pentacoordinated iron(III) complexes [Fe(Hsalpm-5-R)Cl₂]

V. Artigas, P. G. Waddell, M. R. Probert and M. Fuentealba

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Intermolecular interaction studies of complexes with N₄O₂ coordination sphere

M. Fuentealba, V. Artigas and D. Villaman

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Pyrones and related ligand analogues in applied inorganic chemistry

P. P. Molokoane, M. Schutte-Smith and A. Roodt

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X-ray structure determination of tricyclic indolinic derivatives

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Crystal structure analysis of a β-carbonyl derivative

D. V. Geetha, K. B. Harsha, M. A. Sridhar and K. S. Rangappa

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The fluoretic difference in homoleptic mononuclear and dinuclear indium species

O. Alexander, A. Brink, R. Kroon, M.-M. Duvenhage, H. Swart and H. Visser

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Powder XRD studies of gallstones

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Dilithium (citrate) crystals and their relatives

J. A. Kaduk and A. Cigler

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Imaging of crystallite shapes in various silk forms using PXRD

G. K. Gowtham, T. G. Urs, D. Mahadevaiah, K. Byrappa and R. Somashekar

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Program ANAELU on its way to a two-dimensional Rietveld code

E. E. Villalobos, D. Burciaga-Valencia, L. Fuentes-Montero, J. Marín-Romero and L. E. Fuentes-Cobas

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Lattice strain analysis on habit-modified [S₂O₆]²⁻-doped NaBrO₃ crystals

G. A. Calligaris, X. Lai, K. J. Roberts and L. P. Cardoso

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Structural parameters in PVA:CdCl₂ using functional data analysis

M. B. Nandaprakash and R. Somashekar

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Structure–property relation in HPMC:CoCl₂ polymer composites using functional data analysis

T. G. K. Urs, G. K. Gowtham, R. Somashekar and H. Somashekarappa

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Deconvolution–convolution treatment of powder diffraction data collected in Bragg–Brentano geometry

T. Ida, D. Hattan and K. Nomura

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Structural dependence of nonlinear optical properties in ADP:PVA/PVP polymer composites

G. K. Gowtham, T. G. Urs, H. Somashekarappa and R. Somashekar

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Indexation of grazing-incidence X-ray diffraction patterns

J. Simbrunner, R. Resel and I. Salzmann

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Supramolecular organization of water–ethanol solution in ferrierite under pressure

S. Quartieri, R. Arletti, L. Gigli, G. Vezzalini, E. S. Fois and T. Gloria

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New carbazole-substituted imine structures: synthesis and XRD analysis

D. Karaj, A. Damoni, A. Berisha, F. Capitelli, A. Moliterni, A. Altomare, F. Baldassarre, B. Dida and D. Siliqi

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Structure of Laves phase in equiatomic CrFeNbNiV alloy

A. Saikumaran, Mythili and S. Saibaba

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Structural elucidation of multi-cation arrangements in metal–organic frameworks.

F. Gándara, C. Castillo, A. Monge, E. Gutierrez-Puebla, I. Puente-Orench and V. de la Peña-O'Shea

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Two mefenamic acid derivatives: structural characterization from PXRD and MEP

T. Dey and A. K. Mukherjee

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Multi-phase powder patterns in characterization of new solid-state materials

V. V. Chernyshev, V. I. Isaeva and A. A. Lobova

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New complexes based on benzimidazole and imidazole derivatives

S. Bouacida, F. A. Sahki and A. Bouraiou

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Synthesis and characterization of vanadium-doped alkali metal tungsten bronzoid

H. A. Simol, R. A. Jahan, T. Debnath, C. H. Rüscher and A. Hussain

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The enhanced structural carborane effect

G. M. Rosair, A. Welch and S. Powley

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Coordination of hypervalent hexacoordinated Si in neutral and ionic complexes

P. A. Bombicz, R. Szucs, C. Fekete, L. Nyulaszi and I. Kovacs

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Controllable synthesis of metal oxide nanostructures by self-assembled template

R. A. Jahan and A. Hussain

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Correlated disorder in metal–organic frameworks containing asymmetric linkers

E. M. Reynolds, A. Overy, M. Baise, B. Slater, J. Gould and A. Goodwin

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Single-crystal alumina under nanoindentation: loading rate effect

M. Bhattacharya, A. Dey and A. Mukhopadhyay

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Ammonium sulfate phase transition studied by ab initio calculations

L. M. Malec, M. Brela, M. Gryl and K. Stadnicka

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Structures of cis-dioxomolybdenum(VI) with chiral tetradentate tripodal ligands

S. Ghosh, S. K. Kurapati and S. Pal

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Crystallographic characterization and elucidation of unconventional interactions of small molecules

S. Banerjee, A. Bauzá, A. Frontera and A. Saha

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Structural characterisation of Y₂Ti₂O₇ dispersoids in ODS alloys

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Synthesis, characterization, crystal structure of bis(phenanthroline)oxalatonickel(II) pentahydrate

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Study of ionic mixed crystals with X-ray diffraction and SEM

R.-A. Rodríguez-Mijangos

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Crystalline versus amorphous one-dimensional to three-dimensional coordination polymer transformations

A. Guerri, A. Ienco, S. Moneti, T. Bataille, F. Costantino and M. Taddei

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Hydration reactions in tricalcium silicate by XRD and combined techniques

L. Bucio, Y. Moreno and E. Orozco

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Open-framework metal sulfites and sulfite-oxalates based on honeycomb-like structures

R. K. Tiwari and J. N. Behera

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Extended range USAXS/SAXS/WAXS for advanced alloy development

J. Ilavsky, F. Zhang, L. Levine, A. Allen, G. Muralidharan and R. N. Andrews

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Time-resolved powder diffraction system with gas control at BL02B2/SPring-8

S. Kawaguchi, K. Sugimoto, M. Takemoto and Y. Kubota

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Impact of reduction temperature on Pt morphology in Pt/γ-alumina

S. Kelly, S. A. Bradley, S. R. Bare, S. I. Sanchez and W. Sinkler

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Recent developments in ARP/wARP

S. M. Kantamneni, G. Chojnowski, J. Pereira, D. Beshnova, P. Heuser, U. Oezugurel and V. Lamzin

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Understanding of cholesterol-binding protein structure with molecular dynamics

H. Yoon, E. S. Joo, S. Jang, G.-S. Kim, S. W. Suh and H. Ho Lee

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Shape descriptors for domain classification and structure solution

M. Tykac, R. A. Nicholls, F. Long and G. N. Murshudov

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Environment and susceptibility of disulfide bonds towards radiation damage

J. Dhar, R. Bhattacharyya, S. Ghosh Dastidar, P. Chakrabarti and M. S. Weiss

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Annotation of organic cofactor molecules in PDB

A. Mukhopadhyay, N. Borkakoti, J. Tyzack, S. Velankar and J. M. Thornton

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Detection and analysis of resolution-(in)dependent systematic errors in crystallographic data sets

G. M. Assmann and K. Diederichs

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Searching and viewing hybrid structure data

H. Suzuki, G.-J. Bekker, T. Kawabata, G. Kurisu and H. Nakamura

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Solid-state [2+2] polymerization of a bis-olefinic molecule and luminescence property

R. Mandal and K. Biradha

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Tetracyclic macrocycles of M5L4 and M6L4

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Functionalizable organic polymers: coordination polymers as templates for solid-state [2+2] reaction

M. Garai and K. Biradha

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Compositional and morphological analysis of kidney stones using PXRD and SEM

A. K. Mukherjee

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Fast PDF screening of amorphous pharmaceuticals with a Bruker D8-ADVANCE

M. Evans, C. Drathen and A. Kern

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Random electron diffraction tomography for structure analysis of pharmaceuticals

S. Nikolopoulos, A. S. Galanis, O. Vallcorba, A. Eggeman, P. P. Das, J. P. Abrahams, E. Rauch, P. A. Midgley and M. Gemmi

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Stacking faults type disorder in layered double hydroxides

W. A. Slawinski, A. O. Sjastad and H. Fjellvag

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Thin film of organic compound over substrate in thermal gradient

P. Panini and Y. H. Geerts

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Precession diffraction for reliable electron pair distribution function analysis

P. P. Das, S. Nicolopoulos and M. Gemmi

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Structure determination of a new phase Ni₈Ti₅

M. Klementova, M. Karlik, P. Novak and L. Palatinus

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Exploring liquid–liquid transitions in ZnSe at extreme conditions

S. Pascarelli, C. Yildirim, J.-Y. Raty, I. Kantor, R. Torchio, A. D. Rosa, G. Garbarino, G. Weck and J.-P. Gaspard

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Novel phase plate strategy for X-ray magnetic dichroism

E. H. De Toledo Poldi, C. A. Escanhoela Jr, J. Fonseca Jr, R. D. dos Reis and N. M. Souza-Neto

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Hierarchical systematics of ordered perovskites: a group-theoretical analysis

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Crystal symmetry–magnetism correlations in ruthenate double perovskites

S. D. Injac, P. Kayser-Gonzales and B. Kennedy

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Precursor phenomenon before phase transitions in PbTiO₃ and BaTiO₃

A. Yoshiasa, T. Nakatani, A. Nakatsuka, M. Okube, H. Arima and K. Sugiyama

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Structure, dielectric and ferroelectric properties of perovskite ceramics

E. Politova, N. Golubko, G. Kaleva, A. Mosunov, N. Sadovskaya, S. Stefanovich and P. Panda

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Investigation of tetragonal–cubic transition of barium titanate

D. Hattan, S. Ono, Y. Takatsu, T. Yoshida, T. Ida, H. Hibino and K. Nomura

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Functionality from real structure: the oxygen vacancy in strontium titanate

E. Mehner, J. Hanzig, M. Zschornak, S. Jachalke, H. Stöcker, T. Leisegang and D. C. Meyer

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Structural means of assessing the association of hamartin and tuberin

N. Natarajan and V. Thiruvenkatam

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Bimorph X-ray optics for time-resolved experiments

A. Kulikov, A. Blagov, N. Marchenkov, A. Targonsky, Y. Pisarevsky and M. Kovalchuk

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Versatile and efficient rapid-mixing liquid jets

D. C. F. Monteiro, F. Kopf, R. Fuchs and M. Trebbin

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MetalJet source for time-resolved diffraction in the home laboratory

E. Espes, J. Hallstedt, U. Lundström, B. Hansson, O. Hemberg, M. Otendal, T. Tuohimaa and P. Takman

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Hydrogen bonds: stories and studies

N. Benali-Cherif

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New hybrid materials based on metal sulfates and diamines

A. B. Gonzalez Guillen, K. Luberda-Durnaś, M. Oszajca and W. Łasocha

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Structural model of cowlesite by fast electron diffraction tomography

M. Gemmi, E. Mugnaioli, J. David, G. Cruciani and M. Merlini

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Facilities for macromolecular crystallography at the HZB

M. Gerlach, C. Feiler, R. Förster, M. Hellmig, F. U. Huschmann, A. Kastner, K. Röwer, M. Steffien, P. Wilk and M. S. Weiss

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The new 3 GeV SR facility in Japan, SLiT-J project

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Structural similarity of sign systems in culture and science

V. Talanov and M. Talanov

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Evaluation of phasing models used for molecular replacement structure determination

K. Hatti, N. Srinivasan and M. R. N. Murthy

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SIMBAD: a sequence-independent molecular replacement pipeline

A. J. Simpkin, A. Lebedev, V. Uski, C. Ballard, W. Shepard, D. Rigden and R. Keegan

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Crystal structure of a mammalian pseudokinase reveals an original dimerization

G. Labesse, M. Gelin, F. Allemand, A. Fournet, S. Urbach, C. Lecointre, V. Simon, A. Sirvent, C. Brignatz and S. Roche

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Neutron scattering study of the Kondo insulators CeT₂Al₁₀ (T = Fe, Ru, Os)

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Comparative study of halogenocadmate(II) hybrids incorporating (DABCOH₂)²⁺ cations

T. Ben Rhaiem and H. Boughzala

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Freezing of ring-puckering molecular motion in a hexagonal perovskite compound

W.-J. Xu, W.-X. Zhang and X.-M. Chen

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Thermal energy storage in a three-dimensional perovskite-type compound

S.-L. Chen, W.-X. Zhang and X.-M. Chen

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Structural phase transitions of molecular perovskites

W.-X. Zhang, Z.-Y. Du, W.-J. Xu and X.-M. Chen

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Assessment of alternative space groups for MAPbI₃ at room temperature

J. Breternitz and S. Schorr

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Fluorescence and solvatochromic studies of biologically important Schiff base derivatives

R. Kumari, A. Varghese and L. George

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Textile electrochemical biosensor for plant science and precision farming

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New iridates and ruthenates in garnet-like crystal-structures

T. Doert, H. Poddig and J. Hunger

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Iron-implanted CuInSe₂ thin film – a diluted magnetic semiconductor

C.-H. Lee, L.-J. Liu and Y.-S. Chen

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Neutron diffraction studies of Sr-doped magneto-electric M-type BaFe₁₂O₁₉ hexaferrites

N. Raju, S. Shravan Kumar Reddy, J. Ramesh, Ch. Gopal Reddy, P. Yadagiri Reddy, K. Rama Reddy and V. Raghavendra Reddy

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Structure and magnetic property correlation in a novel brownmillerite, Ca₂Fe_0.875Cr_0.125GaO₅

R. Dhal, M. Singh, A. K. Sinha and P. N. Santhosh

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Structural and magnetic memory effect in a layered perovskite SrLaMn_0.5Co_0.5O₄

R. R. Das and P. N. Santhosh

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Controlling magnetic sublattices in heterometallic ludwigite Fe_3−xMn_xBO₅

F. Damay, F. Lainé, A. Guesdon, S. Petit, F. Fauth, P. Baran, A. Maignan and C. Martin

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Effect of doping and defects in pyrochlore compounds

D. Prabhakaran, S. Wang, R. Brearton and A. Boothroyd

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Structural and magnetic properties of RFe_0.5Mn_0.5O₃ (R = Ho, Eu)

K. Chandran and P. N. Santhosh

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Change of magnetic properties of (Fe_1−xMn_x)₇₅P₁₅C₁₀ amorphous alloys ribbon

Md. A. Islam and F. A. Khan

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Radiation damage in macromolecular crystallography: the current knowns and unknowns

E. F. Garman, S. P. Walsh and C. S. Bury

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Radiation damage in electron cryomicroscopy (cryo-EM)

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Radiation damage in protein crystallography at X-ray free-electron lasers

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Study and mitigation of radiation damage on the P12 BioSAXS beamline

C. E. Blanchet, M. A. Schroer, Cy Jeffries, A. Yu. Gruzinov, M. A. Graewert, N. R. Hajizadeh and D. I. Svergun

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Low-dose X-ray structure analysis of cytochrome oxidase utilizing high-energy X-rays

Go Ueno, A. Shimada, E. Yamashita, K. Hasegawa, T. Kumasaka, K. Shinzawa-Itoh, S. Yhoshikawa, T. Tsukihara and M. Yamamoto

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Cryoprotection without cryoprotectant

Y. Thielmann, D. Quirnheim Pais, B. Rathmann, P. Wurzinger and C. Tomova

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Porous crystals from the vapor phase: MOF-CVD

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MOF bio-composites for biocatalysis

P. Falcaro and C. Doonan

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Structural studies of small molecules adsorbed in MOFs

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Guest-induced structural deformation of metal–organic polyhedra

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Coordination polymer glass for bio-inspired photoelectric conversion application

S. S. Nagarkar, S. Horike, T. Itakura, B. Le Ouay, A. Demessence, M. Tsujimoto and S. Kitagawa

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Tandem catalysis by in situ generated microporous COF–Pd nanoparticle hybrids

M. Bhadra and R. Banerjee

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Regulatory classification of co-crystals and its implications on drug development

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Multi-component crystals as selective hosts

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Optimizing co-crystal screens using a data-driven machine learning method

R. I. Cooper, S. Lawrence, L. Crowley and J. Wicker

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Exploring co-crystallization of curcumin

I. Sathisaran, J. M. Skieneh, S. V. Dalvi and S. Rohani

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Crystal engineering solutions to improve pharmacokinetic properties of nutraceuticals

A. K. Kruthiventi, S. Roy, S. Reddy and B. Meshiya

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Co-crystallisation and phase transition: from pharmaceuticals to thermochromics

A. Pallipurath Radhakrishnan, J. Skelton, P. McArdle, A. Erxleben, P. Raithby and C. Wilson

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Crystal engineering of zwitterionic drug to neutral co-crystals

A. Gunnam, K. Suresh, R. Ganduri and A. Nangia

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Strongly correlated disorder and the procrystalline state

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Space and time correlations of polar fluctuations in dielectric materials

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PbTe studied by three-dimensional ΔPDF analysis and ab initio simulations

T. Weber, B. Sangiorgio, S. Billinge, E. Božin, C. Malliakas, M. Kanatzidis, A. Simonov and N. Spaldin

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Single-crystal diffuse scattering – a solution to the phase problem?

A. Simonov, T. Weber and A. Goodwin

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Disordered structures in lead-free piezoelectrics

P. K. M. Tung, M. Major, J. Hudspeth, C. Hoffmann and J. Daniels

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Diffuse single-crystal scattering corrected for molecular form-factor effects

E. M. Schmidt and R. B. Neder

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Ultrafast time-resolved X-ray spectroscopies at SACLA

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Time-resolved serial crystallography of bacteriorhodopsin using synchrotrons and X-ray lasers

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Time-resolved X-ray diffraction on density-wave systems

S. Ravy, C. Laulhé, T. Huber, A. Ferrer, V. Jacques, D. Le Bolloc'h, S. O. Mariager, G. Ingold, P. Beaud and S. L. Johnson

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Time-resolved study of molecular crystals with anomalously short Br⋯Br contacts

K. Basuroy, S. Sarkar, G. Bateman, J. Benedict and P. Coppens

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Coherent X-ray experiments at 9000 Hz

S. Brandstetter, P. Hofer, L. Wiegart and A. Fluerasu

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Melting dynamics of ices by time-resolved light scattering

M. Citroni, S. Fanetti, N. Falsini, P. Foggi and R. Bini

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Novel platform for high-pressure static and dynamic X-ray diffraction experiments

K. Appel, Z. Konopkova, L. Dubrovinsky, H.-P. Liermann, H. Marquardt and T. Tschentscher

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Towards joint high-pressure X-ray and neutron single-crystal diffraction

G. J. McIntyre, J. Binns, K. Kamenev, S. Moggach and S. Parsons

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Single-crystal neutron diffraction in diamond anvil cells with hot neutrons

A. Grzechnik, M. Meven and K. Friese

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Phase transitions of VO₂ above 200 GPa: XRD and first-principles calculations

A. H. Liu, S. Xie and L. Wang

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When one crystal is not enough

E. Hovestreydt, T. Stürzer and M. Ruf

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Neutron scattering study of the Kondo insulators CeT₂Al₁₀ (T = Fe, Ru, Os)

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Topological behaviour of ternary non-symmorphic crystals KZnX (X = P, As, Sb)

A. Parveen and G. Vaitheeswaran

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Crystal growth of topological insulators

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SESAME light source: why in the Middle East?

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Crystallography – as an emerging science, has Ghana a place?

R. Kingsford-Adaboh

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NITUB – a scientific emerging network

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Crystallography in the developing world: experiences in Africa and beyond

S. C. Ward and A. A. Sarjeant

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Brazilian synchrotron light laboratory. History and scientific challenges for crystallographers

A. F. Craievich

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The Indo–Italian cooperation at the Elettra synchrotron radiation facility

A. Lausi, B. Joseph, A. Goldoni, M. Polentarutti and D. Das Sarma

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Crystal growth competition, a key for crystallography emergence in Benin

M. Y. Agbahoungbata, W. S. Kangbodé, A. S. S. Bonou and E. V. Sagbo

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Lightsources for Africa, the Americas and Middle East Project (LAAMP)

S. Scandolo, S. Mtingwa and M. Zema

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Graphene-based inkjet-printable electrodes for dye-sensitized solar cells

D. Dodoo-Arhin, R. Howe, G. Hu and T. Hasan

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Novel porous supramolecular networks: synthesis, characterization and sorption properties

P. Kenfack Tsobnang, E. Wenger, P. Durand, J. Lambi Ngolui, S. Dahaoui and C. Lecomte

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X-ray structure characterization of metal–benzoic acid organic complexes

R. Kunafiev and A. Ibragimov

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Study of properties of Cambodian clays by X-ray diffraction technique

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How to boost the teaching of crystallography in emerging countries?

I. Tonle Kenfack and P. Kenfack

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Structure-based analysis of the type III secretion injectisome

C. N. Strynadka

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Structural basis for processive transcription antitermination

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Ezrin, monomeric and dimeric, characterised by crystallography and SAXS

A. P. Duff, J. Phang, S. J. Harrop, A. V. Sokolova, J. C. Walsh, S. A. Beckham, R. B. Davies, K. E. Wilk and P. M. G. Curmi

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Commander complex: a new endosomal protein-sorting platform

R. Ghai, B. Collins and M. Healy

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Two-component systems in bacteria: how is the signal unidirectionally transmitted?

J. A. Imelio, F. Trajtenberg, A. Mechaly, N. Larrieux and A. Buschiazzo

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Unraveling the structural dynamics of the Type II secretion system

M. Nivaskumar and O. Francetic

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Crystal growth of inorganic, organic and biological macromolecules in gels

M. J. Rosales-Hoz

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Enhancing the success of crystallization: strategies and techniques

L. Govada, E. Saridakis, S. Khurshid and N. Chayen

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Overcoming two major chokepoints of protein crystallography with lanthanide complexes

F. Riobé, S. Di Pietro, S. Engilberge, L. Lassalle, O. Maury and E. Girard

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A new crystallization plate for efficient protein crystallization

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Microseed matrix screening for crystallization: theory, practice and a new technique

P. D. Shaw Stewart, S. Kolek and B. Bräuning

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Design and application of crystallization aids comprising DARPin domains

P. Mittl, Y. Wu, P. Ernst, A. Batyuk, A. Honegger and A. Pluckthun

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Ligand-induced self-assembly of polyoxometalates

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Polyoxometalate-based metal–organic framework

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Electronically wired polyoxometalate-based networks in the crystalline state

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Supramolecular chemistry of polyoxometalates: from small clusters to giant keplerates

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Hybrid polyoxometalates as multifunctional materials, photoresists, green catalysts and antioxidants

P. C. Parameswaran, A. Kumar and P. G. P. Reddy

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Exploration of soft oxometalates in patterning and allied studies

P. Thomas and S. Roy

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Phenylalanine gelation and its dynamics studied through crystal structure analysis

G. O. Lloyd and Y. Khimyak

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Pincer molecular metallogels: a new platform for visual recognition

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Fluorescent vesicles based on aggregation-induced emission compounds

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An easy access to supramolecular gels of tolfenamic acid

R. Parveen and P. Dastidar

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Low molecular weight amino acid-based derivatives: from organogels to single crystals and mesocrystals

F. Di Salvo, F. Movilla, J. M. Rey and O. C. Sánchez Montilva

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Fluorescent zwitterionic spirocyclic Meisenheimer complex: X-ray structure and function

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Inelastic X-ray scattering as a unique probe of complex materials

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Iron(III, IV, V)-oxo complexes studied by nuclear resonance vibrational spectroscopy

Y. Guo, A. Weitz and M. Hendrich

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Magnetization switching behavior for CoFeB/MgO and CoFeB/Ta multilayer films

H. Sakurai, A. Shibayama, M. Adachi, M. Yamazoe, K. Suzuki, K. Hoshi, K. Haiji, M. Itou, N. Tsuji and Y. Sakurai

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Determination of proton conduction in olivine and hydrogarnet

S. Patabendi Gedara, S. Clark, R. Mole and N. de Souza

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Electronic structure of oxide electrode materials studied by Compton profiles

K. Suzuki, B. Barbiellini, Y. Orikasa, S. Kaprzyk, M. Itou, H. Hafiz, Y. Uchimoto, A. Bansil, Y. Sakurai and H. Sakurai

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Novel nitrogen-rich iron nitrides synthesized at high-pressure high-temperature conditions

M. Bykov, E. Bykova, G. Aprilis, K. Glazyrin, E. Koemets, I. Chuvashova, H.-P. Liermann, N. Dubrovinskaia and L. Dubrovinsky

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Accurate structures of diamond under high pressure and temperature

Y. Deguchi, E. Nishibori and Bo Iversen

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High-pressure studies for understanding mechanical effects on chemical reactions

B. Zakharov, A. Sidelnikov, S. Chizhik, A. Matvienko and E. Boldyreva

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In situ stability of carbonates in presence of mantle phases

N. Biedermann, K. Appel, G. Spiekermann, W. Morgenroth, A. Pakhomova and M. Wilke

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The high-pressure diffraction beamline XPRESS at Elettra

A. Lausi, B. Joseph, P. Lotti, M. Polentarutti, G. Bais, S. M. Sharma and D. Das Sarma

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Important role of crystallography in pharmaceutical development

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Crystal engineering for career opportunities in pharmaceutical research innovation

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A view from a Latin American crystallography laboratory

J. M. Delgado and G. Díaz de Delgado

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Crystallography in the globe's largest chemical company

M. Viertelhaus and B. Hinrichsen

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Celebrating 75 years of the Powder Diffraction File

S. N. Kabekkodu, J. Blanton and T. Blanton

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Hybrid perovskite crystals: surface restructuring under humid ambient

M. Banavoth and O. F. Mohammed

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Photoluminescence in lead halide perovskites and the role of defects

A. R. Srimath Kandada and A. Petrozza

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Structure, optical studies of two-dimensional hybrid perovskite for photovoltaic applications

S. K. Abdel-Aal, A. S. Abdel-Rahman, G. Gudrun Kocher-Oberlehner, A. Ionov and R. Mozhchil

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Local structure of lead halide perovskites for photovoltaic applications

J. Liu, A. Phillips and M. Dove

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Nucleation and self-assembly of CsPbX₃ perovskite nanocrystals

S. Seth and A. Samanta

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Dynamic studies of incommensurate materials

S. Lidin and L. Folkers

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Transitions toward complex electronic states and superperiodic structures in MPTBp

O. Pérez, E. Duverger-Nédellec, A. Pautrat and K. Kolincio

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Mullite – towards a unified superspace model

P. B. Klar, N. de la Pinta, G. A. Lopez, I. Etxebarria, T. Brezcewski and G. Madariaga

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Phase transitions and crystal structures of η′′-Cu_(3+x)Si and η′′′-Cu_(3+x)Si

C. Antunes Correa, M. Poupon, O. Pérez, R. Král, P. Zemenová, J. Lecourt, J. Kopeček, P. Brázda, M. Klementová and L. Palatinus

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Modulated and high Z′ phases in Λ-cobalt(III) sepulchrate trinitrate

S. Dey, A. Schönleber, S. van Smaalen and F. K. Larsen

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The AuIn 1:1 phase and its siblings

L. Folkers and S. Lidin

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Synchrotron spectroscopy and imaging in unraveling bacterial surface metal interactions

S. Myneni and B. Mishra

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Post-translation tyrosine phosphorylation switches cytochrome c dynamics

A. J. Diaz Quintana, A. Guerra-Castellano, S. Díaz-Moreno, R. Del Conte, S. García-Mauriño, K. González-Arzola, P. Turano, M. A. De la Rosa and I. Díaz-Moreno

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Spectroscopy applications in biologically relevant systems

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Time-resolved structural biology benefits from complementary methods

A. M. Orville, F. Fuller, S. Gul, J. Kern, A. Brewster, N. Sauter, U. Bergmann, R. Alonso-Mori, V. Yachandra and J. Yano

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Picosecond to microsecond TR-XAS: intermediates in the photolysis of methylcobalamin

G. Subramanian, G. Kodis, A. Chizmeshya, Q. Kong, X. Zhang, U. Weierstall and J. Spence

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XAS structural insights into Cu binding with amyloid Aβ4-y peptides

R. S. K. Ekanayake, S. Best, C. Chantler and V. Streltsov

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Current status and future prospects of single-crystal neutron diffractometer iBIX

K. Kusaka, T. Yamada, N. Yano, T. Hosoya, T. Ohhara, I. Tanaka and M. Katagiri

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Straightforward routes from CIFs to three-dimensional printed crystallographic models

P. Moeck, P. DeStafano, I. Cheung, W. Kaminsky and T. Snyder

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The XtaLAB mini II: teaching crystallography to undergraduates

J. Ferrara and E. Reinheimer

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Video tutorials for the Phenix software suite

D. C. Liebschner, P. Afonine, N. Moriarty, B. Poon, O. Sobolev and P. Adams

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The mathematics of crystallography in senior secondary schooling

A. J. Edwards, R. O. Piltz, L. Fuentes-Montero and C. F. Edwards-McKeown

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Celebrating the 10th anniversary of CMCF operations

P. Grochulski, M. Fodje, S. Labiuk, J. Gorin, K. Janzen, D. Spasyuk and K. Mundboth

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Neutron crystallography of insulin using a radically small volume

M. R. Sanderson and D. Lisgarten

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Smart materials for increasing the success of protein crystallization

L. Govada, E. Saridakis, S. Kassen, S. Khurshid, H. El-Sharif, S. Reddy and N. Chayen

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Crystal growth of topological insulators

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The crystal race; engaging children in the crystal world

M. Rodriguez, I. Aguiar, G. Azcune, I. Galain, R. Keuchkerian, M. Momru and M. E. Barthaburu

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The high-pressure diffraction beamline XPRESS at Elettra

A. Lausi, B. Joseph, P. Lotti, M. Polentarutti, G. Bais, S. M. Sharma and D. Das Sarma

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Humidity-induced phase transitions of HEW lysozyme investigated by powder diffraction

D. Beckers, T. Degen, G. Nenert, S. Saslis, S. Logotheti, F. Karavassili, A. Valmas, I. Margiolaki and S. Trampari

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A photon-counting large-area detector – PHOTON III

M. Adam, R. Durst, B. Becker and J. Kaercher

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Gentle data collection at laboratory X-ray sources

A. Foerster, M. Müller, A. McEwen, J. Cavarelli and C. Schulze-Briese

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Porous porphyrin organic polymer for visible light-triggered hydrogen production

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Chemically stable urea-based COF for size-selective heterogeneous catalysis

A. Basu and R. Banerjee

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Functionalization of metal–organic frameworks for improved catalysis

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Proton conduction by sulfonic group-functionalized mixed-ligand coordination polymers

S. Ghosh, D. K. Maity and D. Ghoshal

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Role of hydrogen bonding in pseudocapacitance of covalent organic frameworks

S. Chandra and R. Banerjee

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Sulfonic acid-loaded self-standing covalent organic membrane for proton conduction

H. S. Sasmal and R. Banerjee

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Electrocatalytically active cobalt metal–organic framework for oxygen reduction reaction

M. Prabu, A. Sheelam, K. Ramanujam and S. Mandal

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Self-sorting of Pd₁₂ self-assembled tetrahedral homochiral nano-cages with polytetrazole linkers

P. Howlader and P. S. Mukherjee

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Design of porous metal–organic frameworks (MOFs) for heterogeneous catalysis

C. M. Nagaraja, B. Ugale and S. Dhankar

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Interpenetrated metal–organic frameworks (MOFs) and their applications

B. Ugale and C. M. Nagaraja

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Electroactive MOFs based on quinone/hydroquinone redox chemistry

M. V. Kumar and J. N. Moorthy

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Post-synthetically modified porous covalent framework (PCF) for high proton conduction

P. Samanta, A. Desai, B. Anothumakkool, M. Shirolkar, A. Karmakar, S. Kurungot and S. Ghosh

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Tapping electronic properties of amide porous polymer to promote selective oxidation reactions

R. Khatioda, D. Talukdar and B. Sarma

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CPs/complexes derived from 4,5-dicarboxy-1,3-dimethyl imidazolium iodide

S. K. Sachan, S. Tripathi and A. Ganapathi

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Low overpotential electrocatalytic water splitting with Co_xNi_y(OH)₂ NPs supported COFs

D. Mullangi and V. Ramanathan

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MM-MOFs as catalysts for liquid-phase oxidation of toluene and cycloalkane

A. M. Puthan Peedikakkal

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Refinement in three-dimensional reciprocal space of ω-forming β alloy

A. George, V. Sharma, D. Ramachandran, M. Sabeena and E. Mohandas

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X-ray emission spectroscopy within the AXSIS project

V. Mazalova and P. Fromme

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Coordination chemistry: niobium(V) and tantalum(V) with O-donor ligands

A. N. Belay, J. A. Venter and A. Roodt

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Nanoceria-supported NrGO as highly stable electrocatalyst for oxygen reduction

P. Parhi, S. Soren, B. D Mohapatra, S. Mishra, A. K. Debanath, D. K. Aswal and K. S. K. Varadwaj

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Sigma-hole bonding at R₁-Se-R₂ donors

A. S. Lundemba, B. Dikima, J. Pradon, A. M. Reilly, M. L. Jeremie, C. R. Groom and Z. G. Yav

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Structure elucidation of isolated compounds from Anogeissus rivularis by XRD

M. A. Hosen, C. Kuhakarn, V. Reutrakul, N. Nahar and R. Zamir

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Curcumin-induced inhibition of VEGF receptor to treat breast cancer

R. K. Paul and A. K. Saha

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Crystallography science in Brazil

M. C. D. A. Fantini and I. Linares de Torriani

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Eight-coordinate iron(III) within coordination complex containing pre-organized ligand H₂PDA

B. Ramezanpour and M. Mirzaei

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Non-innocent π-acidic electron traps in metal-mediated organic transformation

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UgpB protein dominantly follows Sec translocation pathway

A. Dutta and S. P. Kanaujia

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Structural and functional characterization of ribose-1,5-bisphosphate isomerase in archaea

P. Gogoi and S. P. Kanaujia

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Plasticity at the Septin 9 interface: implications for filament dynamics

R. Garratt, S. M. O. da Silva, D. A. Leonardo Cabrejos, N. F. Valadares and H. M. Pereira

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Conversion of molecular assembly of peroxiredoxin

T. Nakamura, M. Oshima and K. Uegaki

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Structure of FoxE, the Rhodobacter ferrooxidans SW2 putative iron oxidase

C. Frazao, L. Pereira, I. H. Saraiva, A. S. F. Oliveira, C. M. Soares and R. O. Louro

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Communication between the two catalytic domains of formylglycinamide ribonucleotide amidotransferase

Nandini, A. S. Tanwar and R. Anand

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RCSB PDB: structural biology views for basic and applied research

C. Zardecki, S. K. Burley, C. Christie, J. Duarte, Z. Feng, A. Prlic, A. Rose, J. D. Westbrook and J. Young

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The crystal structure of AhRR/ARNT complex

S. Sakurai, U. Ohto and T. Shimizu

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Crystal structure of AtGet3ΔL, a chloroplast Get3 from Arabidopsis thaliana

M. S. Manu and S. Ramasamy

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Dynamic theory of protein crystallization

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From gene to structure: high-performance facility for structural biology

A. Nikolaeva, K. Boyko, R. Tatiana and V. Popov

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A new approach to ordered protein film formation

M. Marchenkova, A. Boikova, Y. Dyakova, A. Opolchentsev, P. Prosekov, Y. Pisarevsky, A. Seregin and M. Kovalchuk

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Rhombohedral distortion analysis on Pd(111) films under hydrogen loading

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MOF-derived CoFeN/C materials as electrocatalysts for ORR and OER

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Lead strontium and barium borates: preparation and crystal structure

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Streamlining protein complex production using multiprotein expression technologies

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Versatile medium-throughput strategies for recombinant expression screening in structural biology

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In vivo selective deuteration of complex biological systems

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Structure of 3-nitrotoluene dioxygenase from Diaphorobacter sp. strain DS2

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Chitosan-engineered metal–organic frameworks as oral drug nanocarriers

P. Horcajada, T. Hidalgo, M. Gimenez-Marques, R. Simon-Vazquez, J. Avila, M. C. Asensio, F. Salles, C. Serre and A. Gonzalez-Fernandez

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The chemistry of metal–organic framework nanoparticles

S. Wuttke, U. Lächelt, H. Engelke and T. Burg

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Encapsulation of diptheria anatoxin into ordered mesoporous silica

M. C. D. A. Fantini, T. S. Martins, C. L. P. Oliveira, M. A. Bordenalli, M. T. Franco, O. A. Sant'Anna, M. K. Rasmussen and H. N. Bordallo

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Structural model of cowlesite by fast electron diffraction tomography

M. Gemmi, E. Mugnaioli, J. David, G. Cruciani and M. Merlini

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Biodegradable containers based on nanostructured polycrystals obtained by controlled crystallization

D. Trushina, T. Bukreeva, T. Borodina, A. Khovankina, R. Akasov and E. Markvicheva

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Multifunctional single-layered vesicles derived from Cu^II metal–organic polyhedra

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Trifluoromethyl groups as halogen-bond donors: the effect of group polarizability

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Directed reactivity in halogen-bonded co-crystals

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Crystal engineering π-ways for enhanced charge transport

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Organic fluorine in stabilizing crystal structures: does it matter?

A. Roychoudhury, G. Kaur, H. R. Yadav, M. Karanam, S. Maheshwari and S. Dev

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Ion pair interactions in noble metal complexes with halogen atoms

L. Marchio', A. Serpe, P. Deplano and M. Cuscusa

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3.9 Å phase plate cryo-EM reconstruction of the nucleosome core particle

S. H. R. E. Sandin, V. K. Vogirala, O. Inian, A. S. W. Wong, L. Nordenskiold, J. M. Plitzko, R. Danev and E. Y. D. Chua

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GPCR activation: an intertwined history of crystallography and EM

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Spotiton: a new method for vitrifying samples for cryo-EM

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The structure of the cyanide dihydratase (CynD) from Bacillus pumilus

B. T. Sewell, A. Frangakis, A. Mulelu and J. Reitz

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Single-particle cryo-EM of macromolecular complexes at near-atomic resolution

E. B. Pichkur, P. Kasatsky, T. N. Baymukhametov, Y. M. Chesnokov, M. Y. Presniakov, A. Miasnikov, A. L. Konevega, A. L. Vasiliev and M. V. Kovalchuk

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Mineralogical results from the Mars science laboratory rover Curiosity

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Prospects for organic minerals on Saturn's moon Titan

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Early stages of grain formation studied by microgravity experiments

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Ordering phenomena in minerals: the Verwey phase of natural magnetite

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X-ray absorption spectroscopy applied to solar absorbers

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A Spring-8 new beam line for the fuel cell analysis

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Operando XAS studies on catalysts for energy-related processes

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Element-specific channels in photo-excitation of V-doped TiO₂ nanoparticles

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Changes in local electronic structure on the Si/TiO₂/Fe₂O₃ photocatalysts

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Using polyhedral distortions to understand structure–property behaviour

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Heavy metal: magneto-structural relationships in Ir and Os oxides

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Magnetic, magnetostructural and magnetoelectric properties of cobalt-based oxides

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Unusual magnetic ordered metallic state in EuNiO₃ under pressure

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Swinging symmetry, structural phase transitions and physical properties of RETGa₃

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Canonical-cell approach to icosahedral quasicrystals and their approximants

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Lattice dynamics of the complex metallic alloys o-Al₁₃Co₄

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Simple particles, complex structures

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Templated quasicrystalline thin film of molecules: recent extended study

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Atomic structures of the Sc–Zn and R–Cd icosahedral quasicrystals

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γ-Brass related complex phases in Rh–Cd binary system

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Towards archiving raw diffraction images for validating crystal structures

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Frauds in small-molecule crystallography

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DFT-D and the validation of crystal structures from XRPD

C. J. Van De Streek

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wwPDB OneDep validation services

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Cryo-EM structure of dynamin-like MxB in assembly

P. Zhang, F. Alvarez, S. He, J. Perilla, S. Jang, A. Engelman and S. Scheres

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Revealing the atomic-level organization of a bacterial microinjection nanodevice

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Structural basis of protein translocation by the Vps4-Vta1 AAA ATPase

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Model-building using cryo-EM and crystallographic maps

T. Terwilliger, P. Adams, L.-W. Hung, O. Sobolev and P. Afonine

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Structure of elongation factor 4 bound to the ribosome

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Metal–organic frameworks (MOFs) for sensing applications

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Understanding selective Cu²⁺ detection by Ln³⁺ complexes through crystallography

S. Roy and S. C. Peter

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Unique porous frameworks as luminescent probes

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Porous gel materials assembled from small molecules

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Multifunctional materials for sensing of metal ions and small molecules

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Water-stable MOF for recognition and sequestration of oxoanion pollutants

A. V. Desai, B. Manna, A. Karmakar, A. Sahu and S. Ghosh

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Halogenation as a new tool to control peptide self-assembly

P. Metrangolo, N. Demitri, A. Gori, A. Pizzi and G. Terraneo

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Halogen-bond driven encapsulation of tetrahalomethanes within a supramolecular host

A. Peuronen, E. Kalenius and M. Lahtinen

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Halogenated anthrapyrazolone derivatives regulate JNK signals in inflammation

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Halogen-bonded capsules

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Striped magnetic ground state on an ideal S = 2 Kagomé lattice

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Orbital ordering and structural distortions in vanadium spinels

A. J. Browne and J. P. Attfield

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Structure–property relationships in magnetocaloric materials

K. Friese, J. Voigt, P. Hering, T. Brueckel, M. Chikovani, J. Persson, M. Meven and A. Grzechnik

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Helical magnetic structure in cubic chiral crystal Pr₅Ru₃Al₂

D. Okuyama, K. Makino, M. Avdeev, K. Ohishi, K. Yamauchi, T. Oguchi and T. J. Sato

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Synchrotron-based micro-analyses of artistic materials at ID21, ESRF

M. Cotte, L. Monico, K. Janssens, W. De Nolf, M. Salomé and J. Langlois

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Deciphering ceramic workshop practices in classical Athens

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µXRD for the identification of pigments in cross-sections of paintings

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Using neutron tomography to examine guitar strings

A. J. Edwards, U. Garbe, F. Salvemini, C. F. Edwards-McKeown, J. Close and P. Tregear

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Optimization of automated electron diffraction tomography for challenging applications

U. Kolb, Y. Krysiak, H. Zhao, S. Plana-Ruiz and B. Barton

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Electron ptychographic phase imaging using fast pixelated detectors

H. Yang, R. dos Reis, G. Martinez, L. Jones, M. Simson, H. Soltau, Y. Kondo, R. Sagawa, T. Pennycook and P. Nellist

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A new electron-counting detector for electron diffraction

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Nanostructures from self-assembled block copolymer/nanoparticle mixtures

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Probing the pathways of nanoscale self-assembly

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Structure and dynamics of conjugated polymers from scattering and simulations

L. D. Pozzo, K. Kanekal, C. Wolf, Y. Yimer and Y. Xi

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Nanostructures in GeTe-rich materials: substitution, defects, thermoelectricity

O. Oeckler, F. Nietschke, S. Schwarzmüller and D. Souchay

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Nanoscale structural analyses on Turkey/Taiwan originated spider cocoons

S. Ide, I. Orujalipoor, W.-T. Chuang, U-S. Jeng, Y. Özcan and T. Türkeş

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Inorganic super-fullerenes: remarkable versatility for nano-confined functionalization

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Imaging of nanoscale molecular order in the cybotactic nematic phase

V. Gude and V. S. R. Nandiraju

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Driving universal data format input and translation using CIF dictionaries

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Maintaining and obtaining maximum value from a CIF publication archive

B. McMahon, M. A. Hoyland and S. P. Westrip

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CIF1 to CIF2: lessons learned in the development of Jmol

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PDBx/mmCIF: the foundation for the wwPDB OneDep system

J. Westbrook, J. Markley, Haruki, S. Velankar and S. Burley

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Fast and flexible CIF processing with the CIF API

J. C. Bollinger

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Software for processing high-data-rate MX in CIF and NeXus/HDF5

H. J. Bernstein

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Joint refinement of spin and charge densities of organic radicals

M. Souhassou, A. B. Voufack, N. Claiser, C. Lecomte, B. Gillon, Z. Yan, J.-M. Gillet, M. Marazzi and A. Genoni

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Charge density and magnetic anisotropy of Dy-based single-molecule magnet

J. Overgaard, S. a Jiang, C. Gao and E. A. Klahn

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Charge and spin density study of Ni^III dithiolate complex

J. Kozisek, M. Fronc, P. Herich, L. Bučinský, B. Gillon, A. Stunault, O. Fabelo, S. A. Mason, N. Claiser and M. Deutsch

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Single-particle cryo-EM of membrane proteins in lipid nanodisc

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cisTEM: user-friendly software for single-particle image processing

N. Grigorieff, T. Grant and A. Rohou

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A new method for vitrifying samples for cryo-EM

B. Carragher, V. Dandey, H. Wei, Z. Zhang, A. Noble and C. Potter

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Cryo-EM of membrane protein complexes

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Cryo-EM studies of protein aggregation and disaggregation

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Phase changes and chemical reactions in molecular crystals

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Materials studies by the Bilbao Crystallographic Server

M. I. Aroyo, J. M. Perez-Mato, L. Elcoro, G. Madariaga, S. V. Gallego, G. F. Martin and E. S. Tasci

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Competing b.c.c. β to h.c.p. α phase transformations in Ti-1Mo alloy

M. Sabeena, R. Mythili, S. Murugesan, E. Mohandas and M. Vijayalakshmi

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Mystique world of acrobatic molecular crystals

E. Skoko, J. Popović and I. Lončarić

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Multiscale structural view of phase transitions in spin-crossover molecular solids

P. Guionneau, M. Marchivie, E. Tailleur, P. Rosa and G. Chastanet

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Phase transition study of Ag-doped Ge₂Sb₂Te₅ thin films

P. Singh and A. Thakur

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Under pressure to react – acetylenedicarboxylic acid polymerisation

I. D. H. Oswald, I. Hutchison, A. Delori and A. Urquhart

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New guest-accessible space under gas pressure

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A high-pressure study of two polymorphs of C₆₀·2S₈

C. M. Beavers, K. B. Ghiassi, E. F. O'Bannon, A. L. Balch and M. M. Olmstead

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New developments using the in situ crystallization with a CO₂ laser

J. Benet Buchholz, E. C. Escudero-Adán and R. Boese

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Geometry limitation-free HT device for in situ/operando SCXRD

M. Zema, G. Ventruti and S. C. Tarantino

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Weak donor–acceptor intermolecular interactions under pressure: the NO₂⋯NO₂ case

F. Montisci, A. Lanza, N. Casati and P. Macchi

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Accurate charge densities from powder X-ray diffraction

M. R. V. Jørgensen, K. Tolborg, H. Kasai, J. Becker, A.-C. Dippel, J. Als-Nielsen and B. B. Iversen

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YTiO₃ charge densities: comparison of synchrotron and laboratory diffraction data

N. Claiser, A. B. Voufack, M. Souhassou, E. Wenger, S. Dahaoui, Z. Yan, J.-M. Gillet, K. Sugimoto, M. Ito and H. Ott

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Charge-density studies in small molecules and proteins: sources and detectors

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Precision and accuracy of single-crystal X-ray results

K. Wozniak, W. F. Sanjuan-Szklarz, M. Woinska, P. Dominiak, S. Grabowsky, D. Jayatilaka and M. Gutmann

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High-resolution charge density of metal hexaborides

E. Nishibori and H. Kasai

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Charge-density study of van der Waals layered MoS₂ and TiS₂

H. Kasai, K. Tolborg, J. Zhang, S. M. Kevy, M. Sist, V. R. Hathwar, J. Overgaard, E. Nishibori and B. B. Iversen

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Crystallography for sustainable development: UNESCO's role and strategy

J. J. P. Ngome Abiaga

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Crystallography and scientific research in Africa: role of ICSU ROA

D. Nyanganyura and R. L. K. Glover

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The first protein crystallography project in Jordan

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The Africa initiative and the Panafrican Conferences on Crystallography PCCr

C. E. P. Lecomte

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Open data in the emerging 21st-century scientific world

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Post IYCr in Latin America: scientific, academic and outreach activities

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The road to the Association of Albanian Crystallographers

B. Dida, D. Siliqi, A. Berisha, D. Karaj and M. Zema

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Bangladesh Crystallographic Association (BCA) – its formation and activities

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Multimodal investigation of Pb- and As-based pigment degradation

K. H. Janssens, F. Vanmeert, S. De Meyer and M. Vermeulen

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X-ray powder diffraction structural studies of lithol red pigments

W. Lasocha, M. Grzesiak-Nowak, A. Rafalska-Lasocha, M. Oszajca, P. Goszczycki, K. Ostrowska, J. Kuncewicz and W. Macyk

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Red/yellow pigments in Pompeii and Herculaneum: which is which?

G. Artioli, M. Secco, I. Angelini, L. Rainer and K. Graves

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Potential of forensic analysis of multicomponent samples

M. Kotrly and R. Šefců

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Comprehensive studies of cultural heritage objects in NRC Kurchatov Institute

R. Senin, E. Tereschenko, A. Loboda, N. Kolobylina, A. Vasiliev, A. Veligzhanin, K. Podurets, V. Glazkov, E. Yatsishina, P. Kashkarov and M. Kovalchuk

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Characterization of ancient Harappan faience bangles

G. Artioli, I. Angelini and M. Vidale

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µXRD for the identification of pigments in cross-sections of paintings

B. Fruehmann, K. Hradil and M. Schreiner

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In situ and time-lapse XRD as tools for atmospheric corrosion research

R. Wiesinger, K. Hradil and M. Schreiner

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On the grounds of icons from National Museum in Krakow

A. Rafalska-Lasocha, M. Grzesiak-Nowak, M. P. Kruk and W. Lasocha

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Verifying the reliability of historical sources through an archaeometric study

S. Quartieri, G. Sabatino, M. Di Bella, A. Tripodo, F. Italiano and A. Giuliano

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Electron microscopy methods in studies of archaeological objects

N. Kolobylina, A. Vasiliev, E. Yatsishina, P. Kashkarov and M. Kovalchuk

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Compressed interactions and properties of methylamine polymorphs

A. Katrusiak, M. Podsiadlo and A. Olejniczak

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The high-temperature phases of L-phenylalanine

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Unusual polymorphs of thymine

S. K. Nayak, R. Chennuru, P. Muthudoss, S. Ramakrishnan, A. B. Mohammad, R. R. Chandra Babu and S. Mahapatra

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Two-dimensional polymers: from monomer to polymer crystals and back

G. Hofer, F. Grieder, M. Kroeger, A. D. Schlueter and T. Weber

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Template-induced targeted crystallisation of computationally predicted polymorphs

V. K. Srirambhatla, R. Guo, S. L. Price and A. J. Florence

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Indentation plasticity of molecular crystals: loading-rate sensitivity studies

K. Mangalampalli, D. Raut, R. Upadrasta, A. Asiri and M. Mishra

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High-pressure transformation of MAPbI₃: role of the noble-gas medium

A. Arakcheeva, V. Svitlyk, M. Kollár, B. Náfrádi, L. Forró and E. Horváth

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Emerging challenges in high-pressure neutron scattering

A. M. dos Santos, C. Tulk, J. Molaison, R. Boehler and M. Guthrie

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Binding guest molecules to frameworks: pressure-induced chemisorption in breathing MOFs

A. Lanza, L. Germann, M. Fisch, N. Casati and P. Macchi

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Development of time-resolved X-ray acoustic method of investigation of crystals

A. Targonskiy, A. Blagov, Y. Eliovich, P. Prosekov, Y. Pisarevsky, A. Protsenko, V. Akkuratov and M. Kovalchuk

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Complexity in supramolecular analogues of frustrated magnets at high pressure

A. B. Cairns, M. J. Cliffe, J. A. M. Paddison, D. Daisenberger, M. G. Tucker, F.-X. Coudert, A. L. Goodwin and M. Mezouar

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Structure–property relationships in multiferroic metal formate frameworks under pressure

I. E. Collings, M. Bykov, E. Bykova, R. S. Manna, A. Tsirlin, S. Petitgirard, M. Hanfland, S. van Smaalen, N. Dubrovinskaia and L. Dubrovinsky

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HP–HT behavior of urea, a precursor to photocatalytic materials

K. F. Dziubek, M. Citroni, S. Fanetti, A. Cairns and R. Bini

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Thermally and electrochemically driven topotactical transformations in sodium layered oxides

M. Guignard, M. Suchomel and C. Delmas

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Solar cell structure at micro- and nanoscale through TEM

J. Hadermann and M. Batuk

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Disorder in LiMn_2−xTi_xO₄ determined from combined diffraction and XAS studies

S. Schmid and D. T. Murphy

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Neutron diffraction studies of oxygen disorder in Nd₂NiO_4+d

S. R. Maity, J. Schefer, L. Keller, M. Ceretti and W. Paulus

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Intrusion–extrusion of electrolytic solutions in zeolites for energy storage

R. Arletti, L. Ronchi, S. Quartieri, G. Vezzalini, A. Ryzhikov, H. Nouali, J. Daou and J. Patarin

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Ion-transport phenomena and anomalous transformations in strontium uranium oxides

G. L. Murphy, Z. Zhang, M. Avdeev, C.-H. Wang, G. Beridze, P. Kowalski, Q. Gu, J. Kimpton, B. Johannessen and B. Kennedy

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Neutron diffraction experiments in pulsed magnetic fields

H. Nojiri and T. Kihara

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What can we learn from not so high pressure physics?

A. Podlesnyak, M. Frontzek, L. Wu and M. Lumsden

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Neutron studies on high-pressure A-site manganites

A. M. Arevalo Lopez, G. McNally, E. Solana Madruga, A. J. Dos Santos Garcia, R. Saez Puche and J. P. Attfield

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High-pressure structural and electronic transitions in lithium ferrites

S. Layek, E. Greenberg, W. Xu, D. Levy, J.-P. Itié, M. P. Pasternak and G. Rozenberg

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Modulating magnetic anisotropy in coordination complexes using hydrostatic pressure

G. Craig, C. H. Woodall, A. Sarkar, M. R. Probert, K. V. Kamenev, S. Moggach, E. Brechin, G. Rajaraman, S. Parsons and M. Murrie

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Insights on spin-density delocalization/polarization mechanisms through the source function

C. Gatti, G. Macetti and L. Lo Presti

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Libraries of extremely localized molecular orbitals

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From molecules to materials, efficient crystal engineering of polar systems

M. Gryl, T. Seidler and J. Wojnarska

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Electron pairing over domains

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Electric fields in crown ether complexation with neutral molecules

M. Shi, S. Thomas, A. Edwards, G. Koutsantonis, Bo Iversen and M. Spackman

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Experimental charge densities of nucleobase chlorides from intermolecular interaction perspective

P. M. Dominiak, P. Kumar, M. Cabaj and A. Pazio

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Validation of biological small-angle scattering data and models in SASBDB

A. Kikhney, C. M. Jeffries, C. R. Borges, N. Hajizadeh, K. K. Manalastas and D. I. Svergun

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Small-angle scattering data representation in SASCIF and integrative/hybrid methods dictionary

B. Vallat, B. Webb, J. Westbrook, A. Sali and H. Berman

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NXcanSAS: standard to store reduced SAS data of any dimension

P. R. Jemian, A. Jackson, T. Richter, P. Butler, S. King, A. Rennie and B. Pauw

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Small-angle scattering standards and absolute intensity calibration

A. J. Allen, F. Zhang, R. J. Kline, W. F. Guthrie and J. Ilavsky

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Publication guidelines for biomolecular small-angle scattering: a community-driven effort

J. Trewhella and J. M. Guss

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Co-crystallisation of BRCA1 BRCT with small-molecule inhibitors

A. Varma, U. Sawant and P. S. Thapa

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From metric properties to unit-cell databases and clusters

H. J. Bernstein and L. C. Andrews

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Mapping structural landscapes: isomorphic mefenamic acid and tolfenamic acid forms

S. Ranjan, R. Devarapalli and C. Malla Reddy

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Structural characterization of retinoic acid receptor-α (RARA)

S. Dubey, S. Hasan and A. K. Varma

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Structural characterization of BRCA2 functional domain

M. A. Khan, P. Panda, M. . Q. Siddiqui, S. K. Hasan and A. K. Varma

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Hurdles in exploring chirality in co-crystallization

U. B. R. Khandavilli, S. Lawrence and A. Maguire

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Advances

Recently published Advances articles are given below.

Quasicrystals: What do we know? What do we want to know? What can we know? W. Steurer (2018). Acta Cryst. A74, https://doi.org/10.1107/S2053273317016540.

Small-angle X-ray scattering tensor tomography: model of the three-dimensional reciprocal-space map, reconstruction algorithm and angular sampling requirements. M. Liebi, M. Georgiadis, J. Kohlbrecher, M. Holler, J. Raabe, I. Usov, A. Menzel, P. Schneider, O. Bunk & M. Guizar-Sicairos (2018). Acta Cryst. A74, https://doi.org/10.1107/S205327331701614X.

${\bb Z}$ -module defects in crystals. A. Sirindil, M. Quiquandon & D. Gratias (2017). Acta Cryst. A73, 427-437.

High-resolution X-ray diffraction with no sample preparation. G. M. Hansford, S. M. R. Turner, P. Degryse & A. J. Shortland (2017). Acta Cryst. A73, 293-311.

Special issues

Debye scattering equation

Mathematical crystallography

Bragg centennial issue

Laue centennial issue

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