国际晶体学联合会
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作者:Caroline Evania Mulijanto , Hong Sheng Quah , Geok Kheng Tan ...
来源:[J].IUCrJ, 2017, Vol.4 (Pt 1), pp.65-71IUCr
摘要:A dramatic effect of crystal morphology, photoreactivity and photosalient property is observed in a zinc(II) complex due to solvent effects and fluorine substitution at the backbone of the ligand. Of the two crystal forms with a 3-fluoro derivative, one yielded a curved morpholog...
作者:Loes M. J. Kroon-Batenburg , John R. Helliwell , Brian McMahon ...
来源:[J].IUCrJ, 2017, Vol.4 (Pt 1), pp.87-99IUCr
摘要:A topical review is presented of the rapidly developing interest in and storage options for the preservation and reuse of raw data within the scientific domain of the IUCr and its Commissions, each of which operates within a great diversity of instrumentation. A résum&eacu...
作者:Andrew V. Martin
来源:[J].IUCrJ, 2017, Vol.4 (Pt 1), pp.24-36IUCr
摘要:Liquids, glasses and other amorphous matter lack long-range order, which makes them notoriously difficult to study. Local atomic order is partially revealed by measuring the distribution of pairwise atomic distances, but this measurement is insensitive to orientational order and ...
作者:Julian C. H. Chen , Clifford J. Unkefer
来源:[J].IUCrJ, 2017, Vol.4 (Pt 1), pp.72-86IUCr
摘要:The Protein Crystallography Station (PCS), located at the Los Alamos Neutron Scattering Center (LANSCE), was the first macromolecular crystallography beamline to be built at a spallation neutron source. Following testing and commissioning, the PCS user program was funded by ...
作者:Marek Grabowski , Wladek Minor
来源:[J].IUCrJ, 2017, Vol.4 (Pt 1), pp.3-4IUCr
作者:Said Rabbani , Eva Maria Krammer , Goedele Roos ...
来源:[J].IUCrJ, 2017, Vol.4 (Pt 1), pp.7-23IUCr
摘要:The most prevalent diseases manifested by Escherichia coli are acute and recurrent bladder infections and chronic inflammatory bowel diseases such as Crohn's disease. E. coli clinical isolates express the FimH adhesin, which consists of a mannose-specific lectin domain connected ...
作者:Beat Anton Amrein , Fabian Steffen-Munsberg , Ireneusz Szeler ...
来源:[J].IUCrJ, 2017, Vol.4 (Pt 1), pp.50-64IUCr
摘要:The tremendous interest in enzymes as biocatalysts has led to extensive work in enzyme engineering, as well as associated methodology development. Here, a new framework for computer-aided directed evolution of enzymes (CADEE) is presented which allows a drastic reduction in the t...
作者:Sounak Sarkar , Tayur N. Guru Row
来源:[J].IUCrJ, 2017, Vol.4 (Pt 1), pp.37-49IUCr
摘要:Octachloronaphthalene (OCN), a serious environmental pollutant, has been investigated by charge density analysis to unravel several unexplored factors responsible for steric overcrowding. The topological features of the enigmatic peri interactions contributing to steric over...

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