Results 51 to 60 of about 6,162,666 (274)
Nanomaterials, 2022 The synthesized compound was characterized by 31P, 13C, and 1H NMR spectroscopy and MALDI-TOF mass spectroscopy. According to DSC data, the compound was initially crystalline, but the crystal structure was defective.
Evgeniy Chistyakov +2 more
doaj +1 more source
Single-crystal neutron diffraction
European Journal of Mineralogy, 2002 The applications of coherent elastic neutron scattering from single crystals are reviewed, with emphasis on Earth Sciences materials. The peculiar character of the neutron interaction with matter is naturally exploited in a number of typical experiments: (1) the location of light atoms in the presence of heavy atoms in the structure; (2) the ...
openaire +2 more sources
The polymorphs and solvates of phenylbutazone and their phase transition behaviour [PDF]
, 2009 In this study, which was conducted between March 2007 and December 2008, the crystal structure of the alpha polymorph of phenylbutazone has been determined by single crystal X-ray diffractometry.
Targett, J.J.
core
FEBS Open Bio, EarlyView.This protocol paper outlines methods to establish the success of a time‐resolved serial crystallographic experiment, by means of statistical analysis of timepoint data in reciprocal space and models in real space. We show how to amplify the signal from excited states to visualise structural changes in successful experiments.
Jake Hill +4 more
wiley +1 more source
Nonlinear optical behaviour of bis (cytosinium) tartarate monohydrate single crystal
Chemical Physics Impact, 2022 A nonlinear optical single crystal of bis (cytosinium) tartarate monohydrate (BCTM) was grown by slow evaporation method at room temperature. Single crystal X-ray diffraction study revealed their cell parameters and corresponding space group.
P. Jaikumar +4 more
doaj +1 more source
FEBS Open Bio, EarlyView.The dFoCC pipeline starts with observed DED and resting‐state coordinates, which are then used to generate a library of triggered states. Correlation analysis of the calculated DED features of each candidate vs observed DED permits quantitative evaluation of candidate structural quality.
Meng Iao Fong +3 more
wiley +1 more source
Redetermination of the crystal structure of NbF4
Acta Crystallographica Section E: Crystallographic Communications, 2016 Single crystals of NbF4, niobium(IV) tetrafluoride, were synthesized by disproportionation of Nb2F5 at 1273 K in a sealed niobium tube, extracted and studied by single-crystal X-ray diffraction.
Jascha Bandemehr +2 more
doaj +1 more source
Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement
IUCrJ, 2022 Water is an essential chemical compound for living organisms, and twenty of its different crystal solid forms (ices) are known. Still, there are many fundamental problems with these structures such as establishing the correct positions and thermal ...
Michal L. Chodkiewicz +6 more
doaj +1 more source
FEBS Open Bio, EarlyView.The crystal structure of Borrelia burgdorferi nicotinamidase (PncA/BBE22) reveals the correct full‐length protein initiated from a non‐canonical AUU start codon. The structure validates previous biochemical findings and resolves a long‐standing annotation error, demonstrating that the truncated database sequence is structurally incompatible with the ...
Kalvis Brangulis
wiley +1 more source
Comparative assessment of crystallographic and cryo‐EM models in the Protein Data Bank
FEBS Open Bio, EarlyView.Raw data obtained by X‐ray crystallography or cryo‐EM result in experimental maps, ultimately fitted by atomic models. Although the physical principles are different, the final results can be viewed, compared, and evaluated in the same way. With cryogenic electron microscopy (cryo‐EM) on track to surpass X‐ray crystallography as the preferred method ...
Alexander Wlodawer +7 more
wiley +1 more source