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Hydrogen bond

About: Hydrogen bond is a research topic. Over the lifetime, 57701 publications have been published within this topic receiving 1306326 citations.


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TL;DR: In this paper, the effect of cationic structures on the cellulose dissolution at a given temperature was investigated, and it was found that acidic protons on the heterocyclic rings of the cations are essential for the dissolution of cellulose in the ILs, but the van der Waals interaction of Cation with cellulose is not important.

188 citations

Journal ArticleDOI
TL;DR: In this article, the authors describe the complexation of alkali metal halides with bifunctional receptors like that on the right (R = n−octyl) based on calix[4]arenes.
Abstract: First the cation, then the anion. This describes the complexation of alkali metal halides with bifunctional receptors like that on the right (R = n‐octyl) based on calix[4]arenes. The uncomplexed ligand has a strong intramolecular hydrogen bond between the urea moieties, which is disrupted by the conformational change induced by complexation of a Na+ ion. Only then is an anion like Cl− bound in the upper portion of the calixarene.

188 citations

Journal ArticleDOI
TL;DR: The positions of the five hydrogen atoms in the mineral brushite, CaHPO4,2H2O, which crystallizes with Z = 4 in the non-centrosymmetric monoclinic space group la(Cs4), have been established by neutron-diffraction analysis based on 632 independent reflexions from synthetic crystals as mentioned in this paper.
Abstract: The positions of the five crystallographically independent hydrogen atoms in the mineral brushite, CaHPO4,2H2O, which crystallizes with Z= 4 in the non-centrosymmetric monoclinic space group la(Cs4), have been established by neutron-diffraction analysis based on 632 independent reflexions from synthetic crystals. Anisotropic three-dimensional least-squares refinement of all the atoms in the structure to R 0·033 gives final estimated standard deviations of 0·002 for calcium ions, ca. 0·006 for phosphorus and oxygen atoms, and 0·010–0·015 A for hydrogen atoms. The final Fourier difference synthesis shows no significant spurious peaks and there is no evidence that any hydrogen atom occupies several sites; the anionic hydrogen is 1·00(1)A from O(1), which has the longest [1·608(6)A] P–O bond. The two water molecules co-ordinate somewhat differently; both are essentially coplanar with the oxygen atoms to which they are hydrogen bonded, but water (2) has an unusually long bond of 3·09 A to water (1). The other four distinct hydrogen bonds in the structure, which closely resembles that of the arsenic analogue, pharmacolite, have O ⋯ O lengths ranging from 2·68 to 2·83 A.

188 citations

Journal ArticleDOI
TL;DR: Two 40 ns molecular dynamics simulations of a palmitoyl-oleoyl phosphatidylserine (POPS) lipid bilayers in the liquid crystalline phase with Na(+) counterions and NaCl were carried out to investigate the structure of the negatively charged lipid bilayer and the effect of salt (NaCl) on the lipid bilay structure.

187 citations

Journal ArticleDOI
TL;DR: Simulation results provide insight into how a cosolvent affects the dissolution of cellulose in ILs and may motivate further experimental studies in related fields.
Abstract: Recently, it has been reported that addition of a cosolvent significantly influences solubility of cellulose in ionic liquids (ILs), but little is known about the influence mechanism of the cosolvent on the molecular level. In this work, four kinds of typical molecular solvents (dimethyl sulfoxide (DMSO), N,N-dimethylformamide (DMF), CH3OH, and H2O) were used to investigate the effect of cosolvents on cellulose dissolution in [C4mim][CH3COO] by molecular dynamics simulations and quantum chemistry calculations. It was found that dissolution of cellulose in IL/cosolvent systems is mainly determined by the hydrogen bond interactions between [CH3COO]− anions and the hydroxyl protons of cellulose. The effect of cosolvents on the solubility of cellulose is indirectly achieved by influencing such hydrogen bond interactions. The strong preferential solvation of [CH3COO]− by the protic solvents (CH3OH and H2O) can compete with the cellulose–[CH3COO]− interaction in the dissolution process, resulting in decreased c...

187 citations


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Performance
Metrics
No. of papers in the topic in previous years
YearPapers
20232,352
20224,647
20211,701
20201,599
20191,598
20181,668