The dipole moment of the gas phase water monomer is 1.85 D. When solvated in bulk water, the dipole moment of an individual water molecule is observed to be enhanced to the much larger value of 2.9 +/- 0.6 D. To understand the origin of this dipole moment enhancement, the effective fragment potential (EFP) method is used to solvate an ab initio water molecule to predict the dipole moments for v...

The effect of solvents on photophysical properties namely absorption transition energy, fluorescence transition energy and stoke’s shift of a ketocyanine dye 2,5-di[(E)-1-(4 aminophenyl) methylidine]-1cyclopentanone (2,5-APMC) is analyzed using Lippert-Mataga bulk polarity function, Reichardt’s microscopic solvent polarity parameter and Kamlet’s multiple linear regression approach. The spectral...

morphological changes in polyvinyl butyral (pvb) electrospun nanofibres can be acquired by preparation of pvb spinning solution in different solvents.  accordingly, three solvents, including ethyl alcohol, n-butanol and isopropanol, with diverse physical properties (e.g. boiling point, density, dipole moment and dielectric constant) were used to prepare polyvinyl butyral (pvb) spinning solution...

in this paper, lagrangian and equations describing one-dimensional anisotropic non-heisenberg model are studied. in this study we used the generalized coherent states in real parametrizations and the feynman path integral for these states in su(3) group. these equations describe nonlinear dynamics of non-heisenberg ferromagnetic chain completely. solutions of these equations are magnetic solito...

We put forward the idea of establishing a novel interdisciplinary field of research at the interface between quantum mechanics and proteomics. The new field, called quantum proteomics, is defined as the large-scale study of the electronic structure of the proteins that define an organism’s proteome. The electronic structure of proteins is unveiled with the aid of linear-scaling quantum mechanic...

Doxorubicin is a chemotherapeutic drug used as a cure for cancer. Being an anthracycline antibiotic, it is commonly used in treating a wide varieties of cancers. In this report, the molecular structure, Binding Energy(BE), Dipole Moment (DM), Gibbs free energy of solvation (ΔG(solvation)) and some physicochemical properties of Doxorubicin were conjugated chemically to the terminal end of a di-b...