نتایج جستجو برای: hydrogen bonding

تعداد نتایج: 170294  

Journal: :international journal of nanoscience and nanotechnology 2011
n. farhadian

in this work, a molecular dynamics simulation of the transport of water - methanol mixture through the single wall carbon nanotube (swcnt) is reported. methanol and water are selected as fluid molecules since water represents a strongly polar molecule while methanol is as an intermediate between polar and strongly polar molecules. some physical properties of the methanol-water mixture such as r...

Journal: :journal of physical and theoretical chemistry 0
masoome sheikhi young researchers and elite club, gorgan branch, islamic azad university, gorgan, iran ebrahim balali department of pharmaceutical chemistry, faculty of pharmaceutical chemistry, pharmaceutical sciences branch, islamic azad university, tehran, iran hadi lari department of chemistry, mashhad branch, islamic azad university, mashhad, iran

the n-(2-benzoyl-phenyl) oxalyl derivatives are important models for studying of three-centered intramolecular hydrogen bonding in organic molecules. the quantum theoretical calculations for two crystal structures of n-(2-benzoyl-phenyl) oxalyl (compounds i and ii) were performed by density functional theory (b3lyp method and 6-311+g* basis set). from the optimized structures, geometric paramet...

Journal: :Chemical communications 2011
Zhenlu Zhao Guo Zhang Ying Gao Xiuyun Yang Yunhui Li

Ultrasensitive visual detection of hydrazine hydrate using a Au nanoparticles-based colorimetric sensing system (ANCSS) is reported for the first time, which is based on the hydrogen bonding recognition and the modality change of hydrogen bonding from "linear" (simple hydrogen bond interactions) to "nonlinear" (a complicated hydrogen bond network) between as-modified Au nanoparticles (Au NPs).

2009
Masahiko Inouye

Novel macrocyclic saccharide receptors that possess terpyridine skeletons as a hydrogen-bonding site are presented. On modification of the hydrogen-bonding sites and the macrocyclic bridges, the receptors showed selective bindings for ribofuranosides, deoxyribofuranosides, and glucopyranosides, respectively. The binding affinities of the receptors were very high, so that native monosaccharides ...

Journal: :Chemical communications 2014
Ryan F Landis Mahdieh Yazdani Brian Creran Xi Yu Vikas Nandwana Graeme Cooke Vincent M Rotello

Hydrogen bonding heavily influences conformations, rate of reactions, and chemical equilibria. The development of a method to monitor hydrogen bonding interactions independent of polarity is challenging as both are linked. We have developed two solvatochromic dyes that detect hydrogen-bond-donating solvents. The unique solvatochromism of the triazine architecture has allowed the development of ...

Journal: :Molecules 2017
Fabiola Zapata Sergio J Benítez-Benítez Paula Sabater Antonio Caballero Pedro Molina

Most of the halogen bonding receptors for anions described use halogen bonding binding sites solely in the anion recognition process; only a few examples report the study of anion receptors in which the halogen bonding interaction has been used in combination with any other non-covalent interaction. With the aims to extend the knowledge in the behaviour of this kind of mixed receptors, we repor...

Journal: :Proceedings of the National Academy of Sciences of the United States of America 2004
Alexandre V Morozov Tanja Kortemme Kiril Tsemekhman David Baker

Hydrogen bonding is a key contributor to the exquisite specificity of the interactions within and between biological macromolecules, and hence accurate modeling of such interactions requires an accurate description of hydrogen bonding energetics. Here we investigate the orientation and distance dependence of hydrogen bonding energetics by combining two quite disparate but complementary approach...

2014
Kenneth R. O'Neal Tatiana V. Brinzari Joshua B. Wright Chunli Ma Santanab Giri John A. Schlueter Qian Wang Puru Jena Zhenxian Liu Janice L. Musfeldt

Hydrogen bonding plays a foundational role in the life, earth, and chemical sciences, with its richness and strength depending on the situation. In molecular materials, these interactions determine assembly mechanisms, control superconductivity, and even permit magnetic exchange. In spite of its long-standing importance, exquisite control of hydrogen bonding in molecule-based magnets has only b...

A. Nouri M. Monajjemi

Hydrogen bonding of DPPE with water that surrounded of membrane, plays an important role in permeability ofmembrane that we were presented this matter with analysis of bond angles and torsion angles before and after ofadded water molecules.Interaction with water molecules causes some changes in the geometry of DPPE which were explained bythe contribution of zwitterionic form of DPPE molecule, a...

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