Results 41 to 50 of about 2,472,430 (340)
Quantum Nature of the Proton in Water-Hydroxyl Overlayers on Metal Surfaces [PDF]
, 2010 Using ab initio path-integral molecular dynamics, we show that water-hydroxyl overlayers on transition metal surfaces exhibit surprisingly pronounced quantum nuclear effects.
Alavi, A. +3 more
core +2 more sources
Side chain to main chain hydrogen bonds stabilize a polyglutamine helix in a transcription factor
Nature Communications, 2019 Polyglutamine (polyQ) tracts are regions of low sequence complexity frequently found in transcription factors. Tract length often correlates with transcriptional activity and expansion beyond specific thresholds in certain human proteins is the cause of ...
A. Escobedo +17 more
semanticscholar +1 more source
Ethyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate monohydrate
Acta Crystallographica Section E, 2008 There are three formula units in the asymmetric unit of the title compound, C14H16N2O4·H2O. Molecules are linked by N—H...O hydrogen bonds into dimers with the common R22(8) graph-set motif.
T. N. Guru Row +4 more
doaj +1 more source
Acta Crystallographica Section E: Crystallographic Communications, 2020 In 2,2,5-trimethyl-1,3-dioxane-5-carboxylic acid, C8H14O4, the carboxyl group occupies an equatorial position on the 1,3-dioxane ring. In the crystal, O—H...O hydrogen bonds form chains of molecules, which are linked into a three-dimensional network by C—
Joseph A. Giesen +2 more
doaj +1 more source
Hydration of ions in two dimensional water
, 2015 We present a 2D lattice model of water to study the effects of ion hydration on the properties of water. We map the water molecules as lattice particles consisting of a single Oxygen at the center of a site and two Hydrogen atoms on each side.
Dutta, S., Jho, Y. S., Lee, Yongjin
core +1 more source
Three protected tetrapeptides [PDF]
, 1996 The structures of three protected tetrapeptides, containing the Boc-Gly-Gly-Phe-X-OMe chain, tert-butoxycarbonyl-glycy-glycl-phenylalanine-leucine methyl ester dihydrate, Boc-Gly-Gly-L-Phe-D-Leu-OMe, C25H38N4O7·2H2O, tert-butoxycarbonyl-glycy-glycl ...
Casalone, Gianluigi, Fenude, Emma
core +1 more source
Tuning surface metallicity and ferromagnetism by hydrogen adsorption at the polar ZnO(0001) surface
, 2009 The adsorption of hydrogen on the polar Zn-ended ZnO(0001) surface has been investigated by density functional {\it ab-initio} calculations. An on top H(1x1) ordered overlayer with genuine H-Zn chemical bonds is shown to be energetically favorable. The H
J. Cerdá +4 more
core +1 more source
Pseudopolymorphism in Brucine: Brucine-Water (1/2), The Third Crystal Hydrate of Brucine [PDF]
, 2007 The structure of the third pseudopolymorphic hydrate of brucine, brucine-water (1/2) [systematic name 2,3-dimethoxystrychnidin-10-one-water (1/2)], C23H26N2O4 . 2H2O, has been determined at 130 K.
Smith, Graham +2 more
core +2 more sources
Ethyl 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetate
IUCrData, 2017 The five-membered ring of the title compound, C19H18N2O4, adopts an envelope conformation. In the crystal, pairwise N—H...O hydrogen bonds form centrosymmetric dimers which are connected into chains parallel to the c-axis direction by pairwise C—H...O ...
Youssef Ramli +5 more
doaj +1 more source
A Second Crystal Polymorph of Anilinium Picrate [PDF]
, 2004 The crystal structure of a second monoclinic polymorph of anilinium picrate shows a three-dimensional hydrogen-bonded polymer with strong primary interspecies interactions involving the proximal phenolate and adjacent nitro group O-atom acceptors and ...
Healy, Peter +2 more
core +2 more sources