Sathyanarayanamoorthi, V (2016) Solubility study of cefpodoxime acid antibiotic in terms of free energy of solution- Insights from Polarizable Continuum Model (PCM) analysis. Journal of Molecular Liquid.

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Abstract

The polarizable continuum model (PCM) analysis has been carried out on a third
generation cephalosporin antibiotic, cefpodoxime acid (CA) in ten solvents with wide range of
dielectric constant using the B3LYP method with 6-311++G (d,p) basis set. The present
investigation is aimed to assess the solubility of the drug in these solvents and an attempt to
predict the bioavailability of this commercially important drug. We report the electrostatic,
dispersion, and repulsive interaction components of Gibb's free energy of solvation (∆Gsoln) of
the antibiotic along with cavitation energies in ten solvents. The induced dipole moments of CA
in these solvents are calculated and discussed in terms of physical properties of the solvents. The
interaction energies of the systems are discussed in terms of dielectric constant, index of
refraction and surface tension of the solvents. The free energy of solution of CA in aqueous
environment is used to predict the bioavailability of the antibiotic.

Item Type: Article
Uncontrolled Keywords: cefpodoxime acid, PCM analysis, components of ∆Gsoln, induced dipole moment, solubility
Divisions: PSG College of Arts and Science > Department of Physics
Depositing User: Mr Team Mosys
Date Deposited: 06 Apr 2023 06:18
Last Modified: 06 Apr 2023 06:18
URI: http://ir.psgcas.ac.in/id/eprint/1854

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