Results 101 to 110 of about 2,060,891 (297)
3-Methylbenzo[1,2-c:5,4-c′]dichromen-6(8H)-one
Acta Crystallographica Section E, 2014 The title compound, C21H14O3, crystallizes with eight independent molecules (A–H) in the asymmetric unit which are arranged in four groups of two molecules each (AB, CD, EF and GH). In each molecule, the pyran-2-one ring is planar (r.m.s. deviations vary
M. Kayalvizhi +3 more
doaj +1 more source
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
(2E)-2-Benzylidene-9-phenyl-3,4-dihydroacridin-1(2H)-one
Acta Crystallographica Section E, 2014 In the title compound, C26H19NO, the plane of the aromatic heterocycle makes a dihedral angle of 75.22 (4)° with that of the attached phenyl ring. In the crystal, molecules are connected by C—H...O interactions, generating R22(12) dimers.
T. Vinuchakkaravarthy +3 more
doaj +1 more source
Applied Symmetry for Crystal Structure Prediction
, 2019 This thesis presents an original open-source Python package called PyXtal (pronounced pi-crystal ) that generates random symmetric crystal structures for use in crystal structure prediction (CSP).
Fredericks, Scott William
core +1 more source
FEBS Open Bio, EarlyView.Bisphenol A (BPA), a common chemical in plastics, exerts dual effects on bladder cancer cells: low doses promote growth and migration, while high doses suppress growth and migration. Multi‐omics and bioinformatics reveal BPA acts via MAPK and inflammatory pathways.
Shaomin Niu +10 more
wiley +1 more source
4-Methyl-N-{2-[(E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}benzenesulfonamide
Acta Crystallographica Section E, 2014 In the title compound, C22H19NO3S, the terminal phenyl and methylphenyl rings are twisted by 37.35 (12) and 49.08 (13)°, respectively, to the central benzene ring.
Sung-Gon Kim
doaj +1 more source
Graphene-based one-dimensional photonic crystal
, 2011 A novel type of one-dimensional (1D) photonic crystal formed by the array of periodically located stacks of alternating graphene and dielectric stripes embedded into a background dielectric medium is proposed.
Berman O L +11 more
core +1 more source
Evolutionarily divergent DUF4465 domains have a common vitamin B12‐binding function
FEBS Open Bio, EarlyView.We show that DUF4465 family proteins, widespread across bacteria from gut microbiomes, hydrothermal vents, and soil, share a common vitamin B12‐binding function. These augmented β‐jellyroll proteins bind vitamin B12 via extended loops. Our findings establish sequence‐diverse DUF4465 proteins as a widespread class of B12‐binding proteins, highlighting ...
Charlea Clarke +4 more
wiley +1 more source
Allylammonium hydrogen oxalate hemihydrate
Acta Crystallographica Section E, 2014 In the title hydrated molecular salt, C3H8N+·C2HO4−·0.5H2O, the water O atom lies on a crystallographic twofold axis. The C=C—C—N torsion angle in the cation is 2.8 (3)° and the dihedral angle between the CO2 and CO2H planes in the anion is 1.0 (4)°.
Błażej Dziuk +2 more
doaj +1 more source
FEBS Open Bio, EarlyView.Evolutionary analysis across 32 placental mammals identified positive selection at residues H148 and W149 in the immune receptor FcγR1. Ancestral reconstruction combined with molecular dynamics simulations reveals how these mutations may influence receptor structure and dynamics, providing insight into the evolution of antibody recognition and immune ...
David A. Young +7 more
wiley +1 more source