Results 51 to 60 of about 2,064,816 (279)
NMR crystallography reveals carbonate induced Al-ordering in ZnAl layered double hydroxide [PDF]
, 2021 Layered double hydroxides (LDHs) serve a score of applications in catalysis, drug delivery, and environmental remediation. Smarter crystallography, combining X-ray diffraction and NMR spectroscopy revealed how interplay between carbonate and pH determines the LDH structure and Al ordering in ZnAl LDH.
arxiv +1 more source
Development of powder diffraction apparatus for small-angle X-ray scattering measurements [PDF]
, 2013 A novel type of X-ray collimation system attached to commercial powder diffractometers makes the structural characterization of nanomaterials possible in a wide size range from
Attila Bóta +7 more
core +1 more source
2,4-Dichloro-N-(2,5-dioxopyrrolidin-1-yl)benzamide
IUCrData, 2018 In the title compound, C11H8Cl2N2O3, the plane of the pyrrolidine ring (r.m.s. deviation = 0.065 Å) makes a dihedral angle of 52.9 (2)° with the plane of the benzene ring.
Jigmat Stondus +5 more
doaj +1 more source
Unraveling the long-pursued Au144 structure by x-ray crystallography
Science Advances, 2018 A mysterious, long-pursued structure of a nanocluster-nanocrystal transition-sized nanoparticle is unraveled. The transition from nanocluster to nanocrystal is a central issue in nanoscience.
Nan Yan +6 more
semanticscholar +1 more source
Polymorph of (E)-N′-(4-chlorobenzylidene)isonicotinohydrazide monohydrate
IUCrData, 2018 The title hydrate, C13H10ClN3O·H2O, is the orthorhombic polymorph of the previously reported monoclinic compound [Fun et al. (2012). Acta Cryst. E68, o2303–o2304).
Jigmat Stondus +5 more
doaj +1 more source
Quantum Crystallography: Projectors and kernel subspaces preserving N-representability [PDF]
arXiv, 2021 Consider a projector matrix P, representing the first order reduced density matrix in a basis of orthonormal atom-centric basis functions. A mathematical question arises, and that is, how to break P into its natural component kernel projector matrices, while preserving N-representability of P.
arxiv
Structure of human transthyretin complexed with bromophenols: a new mode of binding [PDF]
, 2000 The binding of two organohalogen substances, pentabromophenol (PBP) and 2,4,6-tribromophenol (TBP), to human transthyretin (TTR), a thyroid hormone transport protein, has been studied by in vitro competitive binding assays and by X-ray crystallography ...
Bergman, A +5 more
core +2 more sources
Time-Resolved Macromolecular Crystallography at Pulsed X-ray Sources
International Journal of Molecular Sciences, 2019 The focus of structural biology is shifting from the determination of static structures to the investigation of dynamical aspects of macromolecular function.
Marius Schmidt
semanticscholar +1 more source
Acta Crystallographica Section E: Crystallographic Communications, 2017 The asymmetric unit of the title compound, C15H15N3O3·0.5H2O, comprises two 2-{[(4-iminiumyl-3-methyl-1,4-dihydropyridin-1-yl)methyl]carbamoyl}benzoate zwitterions (A and B) and a water molecule.
C. S. Chidan Kumar +9 more
doaj +1 more source
Core packing of well-defined x-ray and NMR structures is the same [PDF]
Protein Science 31 (2022) e4373, 2022 Numerous studies have investigated the differences and similarities between protein structures determined by solution NMR spectroscopy and those determined by x-ray crystallography. A fundamental question is whether any observed differences are due to differing methodologies, or to differences in the behavior of proteins in solution versus in the ...
arxiv