(1976) Variation-perturbation treatment of the hydrogen bond between water molecules. Mol. Phys. 31: pp. 713-729Jeziorski, B.; Van Hemert, M. Variation-Perturbation Treatment of Hydrogen-Bond Between Water Molecules. Mol. Phys. 1976, 31, 713-729....
Conversely, peptides also can be defined as any compound produced by amide formation between a carboxyl group (COOH) of one amino acid and an amino group (NH2) of another, thereby resulting in the loss of water from the adjacent amino acids. Although the word peptide is most often used ...
The energy required to break a hydrogen bond between two groups in vacuum is in the range of 25 kJ/mol for a peptide hydrogen bond [5,7]. However, in water, such exposed groups are more prone to create new hydrogen bonds with nearby water molecules, canceling the impact. Thus, the de...
We utilize a biophysical approach to study the interactions between iRBCs and ICAM-1. At the single molecule level, force spectroscopy experiments reveal that ICAM-1 forms catch bond interactions with Plasmodium falciparum parasite iRBCs. Flow experiments are subsequently conducted to understand multiple...
b Amine (DIPEA: N-ethyl-N-isopropylpropan-2-amine) promoted reaction between allylic alcohols and ArSO2CN. c In this report, water-promoted dehydrative cross-coupling reaction. The reaction conducted in an environmental benign manner under physiological conditions (pH 7, aqueous media, metal-free,...
This work presents the relations between the carbon to carbon bond lengths in the single, double and triple bonds and in graphite, butadiene and benzene. The Golden ratio, which was shown to divide the Bohr radius into two parts pertaini... PR Rablen,NA Perry-Freer - 《Journal of Organic...
Water (H2O), like hydrogen fluoride (HF), is a polar covalent molecule. When you look at a diagram of water (see Fig. 3-2), you can see that the two hydrogen atoms are not evenly distributed around the oxygen atom. What type of bond forms between water molecules because they are pol...
Extended double zeta Gaussian basis SCF LCAO MO calculations have been performed on various configurations of the linearly hydrogen-bonded water dimer and two of the triplet clusters which occur in both cubic and hexagonal ices. A hydrogen bond energy of −4.72 kcal/mole was found for the dimer...
MP2/aug-cc-pVDZ calculations are carried out on the geometries, vibrational frequencies, interaction energies and topological properties for the π-type halogen-bonded complexes between propargyl radical and dihalogen molecules ClF, BrF and BrCl. There are two kinds of geometries: complex (a) invol...
5eV,withforexample theformationofO 2 fromtwofar-awayO-atomsbeingattheoriginofanenthalpygain of 5.2eV,thatoftwoH 2 OfromtwoH 2 andoneO 2 moleculesof 2 2.5eV,which gives,withtheenthalpyofformationofH 2 of 4.5eV,anenthalpyforasingleO H bondof 4.8eV.Thesecovalentinteractionsareshort-range...