Structure and Dynamics of the Hydrogen-Bond Network around (R,R)-Pterocarpans with Biological Activity in Aqueous Solution

2005 ◽  
Vol 109 (35) ◽  
pp. 16918-16925 ◽  
Author(s):  
Giuliano Alagona ◽  
Caterina Ghio ◽  
Susanna Monti
Keyword(s):  
Aqueous Solution ◽  
Hydrogen Bond ◽  
Biological Activity ◽  
Hydrogen Bond Network ◽  
Structure And Dynamics ◽  
Bond Network

L-Leucylglycine 0.67-hydrate and [(4S)-2,2-dimethyl-4-(2-methylpropyl)-5-oxoimidazolidin-3-ium-1-yl]acetate

2012 ◽  
Vol 68 (12) ◽  
pp. o498-o501 ◽  
Author(s):  
Tamiko Kiyotani ◽  
Yoko Sugawara
Keyword(s):  
Aqueous Solution ◽  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Carbonyl Group ◽  
Water Molecules ◽  
Hydrogen Bond Network ◽  
Amino Groups ◽  
Unit Cell Parameters ◽  
Cell Parameters ◽  
Bond Network

Crystals of L-leucylglycine (L-Leu–Gly) 0.67-hydrate, C8H16N2O3·0.67H2O, (I), were obtained from an aqueous solution. There are three symmetrically independent dipeptide zwitterionic molecules in (I) and they are parallel to one another. The hydrogen-bond network composed of carboxylate and amino groups and water molecules extends parallel to theabplane. Hydrophilic regions composed of main chains and hydrophobic regions composed of the isobutyl groups of the leucyl residues are aligned alternately along thecaxis. An imidazolidinone derivative was obtained from L-Leu–Gly and acetone,viz.[(4S)-2,2-dimethyl-4-(2-methylpropyl)-5-oxoimidazolidin-3-ium-1-yl]acetate, C11H20N2O3, (II), and was crystallized from a methanol–acetone solution of L-Leu–Gly. The unit-cell parameters coincide with those reported previously for L-Leu–Gly dihydrate revealing that the previously reported values should be assigned to the structure of (II). One of the imidazolidine N atoms is protonated and the ring is nearly planar, except for the protonated N atom. Protonated N atoms and deprotonated carboxy groups of neighbouring molecules form hydrogen-bonded chains. The ring carbonyl group is not involved in hydrogen bonding.

STRUCTURE AND DYNAMICS OF THE HYDROGEN BOND NETWORK IN WATER BY COMPUTER SIMULATIONS

1984 ◽  
Vol 45 (C7) ◽  
pp. C7-13-C7-30 ◽  
Author(s):  
A. Geiger ◽  
P. Mausbach ◽  
J. Schnitker ◽  
R. L. Blumberg ◽  
H. E. Stanley
Keyword(s):  
Hydrogen Bond ◽  
Computer Simulations ◽  
Hydrogen Bond Network ◽  
Structure And Dynamics ◽  
Bond Network

scholarly journals Broadband dielectric spectroscopy of glucose aqueous solution: Analysis of the hydration state and the hydrogen bond network

2015 ◽  
Vol 142 (23) ◽  
pp. 234504 ◽  
Author(s):  
Keiichiro Shiraga ◽  
Tetsuhito Suzuki ◽  
Naoshi Kondo ◽  
Takuro Tajima ◽  
Masahito Nakamura ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Hydrogen Bond ◽  
Dielectric Spectroscopy ◽  
Hydrogen Bond Network ◽  
Broadband Dielectric Spectroscopy ◽  
Hydration State ◽  
Bond Network

Halides of Macrocyclic Silver(II) Complexes: Crystal Structures with Hydrogen Bond Network and Reaction Kinetics of the Decomposition

2021 ◽  
pp. 120431
Author(s):  
Akinori Honda ◽  
Shunta Kakihara ◽  
Shuhei Ichimura ◽  
Kazuaki Tomono ◽  
Mina Matsushita ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Reaction Kinetics ◽  
Crystal Structures ◽  
Hydrogen Bond Network ◽  
Bond Network ◽  
Kinetics Of

scholarly journals Hydrogen‐Bond Network Determines the Early Photoisomerization of Cph1 and AnPixJ Phytochromes

2021 ◽  
Author(s):  
Xiang-Yang Liu ◽  
Teng-Shuo Zhang ◽  
Qiu Fang ◽  
Wei-Hai Fang ◽  
Leticia González ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bond Network ◽  
Bond Network
Sign in / Sign up

Export Citation Format

Share Document