issue contents

ISSN: 2052-2525

January 2022 issue

Early view articles

Journal cover

research papers


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Mean-field theory is applied to model single-crystal diffuse scattering in molecular crystals with orientational disorder.

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A series of halogenated compounds with motion-capable moieties were designed and synthesized, and they exhibit different π-stacking arrangements. The thermal expansion behaviors are influenced by crystal packing, halogen-bond strength and pedal motion ability.

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The syntheses of regioisomers of calix[6]crown-6 under a metal carbonate template were highly metal cation-dependent and the 1,2-bridged isomer (H4L1,2) catches Cs+ very efficiently in its deep and good-fit pocket similar to a baseball glove.

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The ambient-pressure phase α of C4H2N5Cl transforms under 0.18 GPa to a higher-symmetry phase α′, but its high-pressure recrystallization below 0.20 GPa leads to a stochastic hydrate while above 0.20 GPa recrystallization leads to a new phase, β.

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With a view to establishing molecular recognition rules, the host p-tert-butyl­calix[6]arene was crystallized with different guest molecules. The ratio between the apolar surface area and the volume was used to predict the formation of inclusion versus exclusion complexes, with inclusion complexes observed at ratios <40.

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Magnetic field-dependent small-angle neutron scattering is employed to analyze the mesoscale magnetic interactions in a soft magnetic HiB-NANOPERM-type alloy and relate the parameters to the experimental coercivity.

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High-pressure single-crystal X-ray and neutron diffraction data for copper(II) sulfate pentahydrate have been collected under precisely the same conditions, using the same sample mounted in a miniature diamond-anvil cell. The data were combined in a joint `XN' structure refinement.

topical reviews


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A review is presented on the strategic use of scattering and imaging tools to design immunologic complexes based on porous silica for oral vaccine formulations.
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