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The Scientific World Journal
Volume 2015, Article ID 921049, 8 pages
http://dx.doi.org/10.1155/2015/921049
Research Article

Application of Vibrational Spectroscopy Supported by Theoretical Calculations in Identification of Amorphous and Crystalline Forms of Cefuroxime Axetil

1Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Poznan University of Medical Sciences, Grunwaldzka 6, 60-780 Poznan, Poland
2Department of Molecular Crystals, Institute of Molecular Physics, Polish Academy of Sciences, Smoluchowskiego 17, 60-179 Poznan, Poland
3Faculty of Non-Ferrous Metals, AGH University of Science and Technology, Aleja A. Mickiewicza 30, 30-059 Krakow, Poland
4Department of Modified Antibiotics, Institute of Biotechnology and Antibiotics, Starościńska 5, 02-516 Warszawa, Poland
5Department of Macromolecular Physics, Adam Mickiewicz University, Umultowska 85, 61-614 Poznan, Poland

Received 24 July 2014; Revised 23 November 2014; Accepted 1 December 2014

Academic Editor: Antonio M. Rabasco

Copyright © 2015 Alicja Talaczyńska et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Abstract

FT-IR and Raman scattering spectra of cefuroxime axetil were proposed for identification studies of its crystalline and amorphous forms. An analysis of experimental spectra was supported by quantum-chemical calculations performed with the use of B3LYP functional and 6-31G(d,p) as a basis set. The geometric structure of a cefuroxime axetil molecule, HOMO and LUMO orbitals, and molecular electrostatic potential were also determined by using DFT (density functional theory). The benefits of applying FT-IR and Raman scattering spectroscopy for characterization of drug subjected to degradation were discussed.