Defining the hydrogen bond: An account (IUPAC Technical Report). Arunan, Elangannan,Desiraju, Gautam R.,Klein, Roger A.,Sadlej, Joanna,Scheiner, Steve,Alkorta, Ibon,Clary, David C.,Crabtree, Robert H.,Dannenberg, Joseph J.,Hobza, Pavel,Kjaergaard, Henrik G.,Legon, Anthony C.,Mennucci,...
There was a greater reduction in CGRP potency in comparison to amylin, suggesting that disruption of the interface can have ligand-dependent effects. However, there were also significant reductions in cell surface expression, which may partially account for the loss of amylin and CGRP potency (...
Under an Elsevier user license open archiveAbstract The bacterial PEP:sugar PTS consists of a cascade of several proteins involved in the uptake and phosphorylation of carbohydrates, and in signal transduction pathways. Its uniqueness in bacteria makes the PTS a target for new antibacterial drugs. Th...
In this study, we have characterized a group of novel human antibodies principally derived from convalescent blood samples and describe the nature and dynamics of their interactions with wild-type Spike protein and its variants. Using hydrogen-deuterium exchange mass spectrometry (HDXMS), in vitro as...
Defining the hydrogen bond: An account (IUPAC Technical Report). Arunan, Elangannan,Desiraju, Gautam R.,Klein, Roger A.,Sadlej, Joanna,Scheiner, Steve,Alkorta, Ibon,Clary, David C.,Crabtree, Robert H.,Dannenberg, Joseph J.,Hobza, Pavel,Kjaergaard, Henrik G.,Legon, Anthony C.,Mennucci,...
(2011) Defining the hydrogen bond: an account (IUPAC Technical Report). Pure Appl. Chem. 83, 1619-1636Arunan E, Desiraju GR, Klein RA, et al. Defining the hydrogen bond: An account (IUPAC Technical Re- port). Pure and Applied Chemistry. 2011; 83(8): 1619-36....
Defining the bond energy of a strong hydrogen bondBased on a recent definition of hydrogen-bond energy the hydrogen bond in [HCOO…H…F] is weaker than that in [F…H…F] , although the former still ranks as a very strong hydrogen bond....
It notes the acceptance and publication of the technical report and the recommendation of the definition of hydrogen bond in "Pure and Applied Chemistry" in October 2010.doi:10.1016/S0262-4079(10)63060-6E. ArunanCurrent Science...
It highlights the task group formed by the IUPAC which organize a discussion meeting for the recommendation of the definition of hydrogen bonding. It notes the acceptance and publication of the technical report and the recommendation of the definition of hydrogen bond in "Pure and Applied Chemistry...
The most potent NDMA precursors are tertiary amines with an acidic hydrogen and electron-donating group alpha and beta to the DMA respectively. They also have comparable molecular descriptors: relatively negative partial charges, low planarity values, high bond lengths and pKa values from similar to...