scholarly journals Molecular interaction mechanism of hydrogen bond disruption of highly viscous glycerol with aniline and derivatives analyzed with physicochemical data

2018 ◽  
Vol 14 (04) ◽  
pp. 126-141
Author(s):  
SACHIN B UNDRE ◽  
◽  
SHIVANI R PANDYA ◽  
MAN SINGH ◽  
◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Molecular Interaction ◽  
Interaction Mechanism ◽  
Physicochemical Data ◽  
Bond Disruption

scholarly journals Mathematical Modeling of Open States in Double Stranded DNA Molecule Depending on 2H/1H Ratio

2019 ◽  
Vol 14 (2) ◽  
pp. 612-624 ◽  
Author(s):  
S.S. Dzhimak ◽  
M.I. Drobotenko ◽  
A.A. Basov ◽  
A.A. Svidlov ◽  
M.G. Baryshev
Keyword(s):  
Mathematical Modeling ◽  
Hydrogen Bond ◽  
Deuterium Atom ◽  
Living System ◽  
Dna Molecule ◽  
Dna Base Pair ◽  
A Chain ◽  
Time Required ◽  
Open States ◽  
Bond Disruption

The evaluation results of the possible deuterium atoms effect on the DNA base pair opening are presented in the article. The cause of these processes is the replacement of protium with deuterium atom due to the increase of energy required to break the hydrogen bond. These processes can be studied by method of mathematical modeling, with account of open states between base pairs being the key condition of the adequacy of the mathematical model of the DNA. The experiment data show that the presence of deuterium in a chain of nucleotides can cause - depending on the value of hydrogen bond disruption energy - both increase and decrease in probability of open states occurrence. For example: hydrogen bond disruption energy of 0.358·10-22 n·m, non-zero probability of open states occurrence is observed in case of the absence of deuterium in the molecule, and with hydrogen bond disruption energy of 0.359·10-22 n·m or more such probability equals zero. Also, when one deuterium atom is present in a molecule, non-zero probability is observed even with hydrogen bond disruption energy equal to 0.368·10-22 n·m (i.e. more than 0.358·10-22 n·m). Thus participation of deuterium atoms in the formation of hydrogen bonds of double helixes of a DNA molecule can cause the changes in the time required for transfer of genetic information, which can explain the effect of even minor deviations in deuterium concentration in a medium on metabolic processes in a living system.

scholarly journals Molecular Interaction Mechanism of a 14-3-3 Protein with a Phosphorylated Peptide Elucidated by Enhanced Conformational Sampling

2020 ◽  
Vol 60 (10) ◽  
pp. 4867-4880
Author(s):  
Junichi Higo ◽  
Takeshi Kawabata ◽  
Ayumi Kusaka ◽  
Kota Kasahara ◽  
Narutoshi Kamiya ◽  
...  
Keyword(s):  
Molecular Interaction ◽  
Interaction Mechanism ◽  
Conformational Sampling ◽  
Phosphorylated Peptide

scholarly journals Mdm-2 binding and TAFII31 recruitment is regulated by hydrogen bond disruption between the p53 residues Thr18 and Asp21

Oncogene ◽  
2002 ◽  
Vol 21 (46) ◽  
pp. 7100-7113 ◽  
Author(s):  
James R Jabbur ◽  
Amy D Tabor ◽  
Xiaodong Cheng ◽  
Hua Wang ◽  
Motonari Uesugi ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Bond Disruption

Molecular interaction mechanism in solid polymer electrolyte comprising cellulose phthalate and LiClO4

2010 ◽  
Vol 181 (25-26) ◽  
pp. 1178-1182 ◽  
Author(s):  
Young Gun Ko ◽  
Aruukhan Dashkhuu Khasbaatar ◽  
Ung Su Choi ◽  
Jae-Yong Kim
Keyword(s):  
Polymer Electrolyte ◽  
Molecular Interaction ◽  
Solid Polymer Electrolyte ◽  
Interaction Mechanism ◽  
Solid Polymer
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