title: Application of vibrational spectroscopy supported by theoretical calculations in identification of amorphous and crystalline forms of cefuroxime axetil.
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.
authors: Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Poznan University of Medical Sciences, Grunwaldzka 6, 60-780 Poznan, Poland.
authors: Alicja
authors: 0000-0003-1105-8286
authors: A
authors: Talaczyńska
authors: Department of Molecular Crystals, Institute of Molecular Physics, Polish Academy of Sciences, Smoluchowskiego 17, 60-179 Poznan, Poland.
authors: Kornelia
authors: K
authors: Lewandowska
authors: Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Poznan University of Medical Sciences, Grunwaldzka 6, 60-780 Poznan, Poland.
authors: Anna
authors: A
authors: Jelińska
authors: Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Poznan University of Medical Sciences, Grunwaldzka 6, 60-780 Poznan, Poland.
authors: Piotr
authors: 0000-0002-2438-0525
authors: P
authors: Garbacki
authors: Faculty of Non-Ferrous Metals, AGH University of Science and Technology, Aleja A. Mickiewicza 30, 30-059 Krakow, Poland.
authors: Agnieszka
authors: 0000-0002-1233-7300
authors: A
authors: Podborska
authors: Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Poznan University of Medical Sciences, Grunwaldzka 6, 60-780 Poznan, Poland.
authors: Przemysław
authors: P
authors: Zalewski
authors: Department of Modified Antibiotics, Institute of Biotechnology and Antibiotics, Starościńska 5, 02-516 Warszawa, Poland.
authors: Irena
authors: I
authors: Oszczapowicz
authors: Department of Modified Antibiotics, Institute of Biotechnology and Antibiotics, Starościńska 5, 02-516 Warszawa, Poland.
authors: Adam
authors: A
authors: Sikora
authors: Department of Macromolecular Physics, Adam Mickiewicz University, Umultowska 85, 61-614 Poznan, Poland.
authors: Maciej
authors: M
authors: Kozak
authors: Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Poznan University of Medical Sciences, Grunwaldzka 6, 60-780 Poznan, Poland.
authors: Judyta
authors: 0000-0003-0891-5419
authors: J
authors: Cielecka-Piontek
mesh_terms: D002444:Cefuroxime / Q000031:analogs & derivatives* / Q000737:chemistry; D008855:Microscopy, Electron, Scanning; D013055:Spectrophotometry, Infrared; D013059:Spectrum Analysis, Raman; D014961:X-Ray Diffraction
chemical_list: D002444:Cefuroxime; C040738:cefuroxime axetil
references: Clin Infect Dis. 2003 Jul 15;37(2):230-7
references: 12856216
references: J Chromatogr B Analyt Technol Biomed Life Sci. 2004 Feb 5;800(1-2):175-9
references: 14698252
references: J Pharm Pharmacol. 2009 Jun;61(6):743-51
references: 19505364
references: Int J Pharm. 2000 May 25;201(2):211-9
references: 10878327
references: J Chromatogr A. 2006 Jun 30;1119(1-2):209-15
references: 16445930
references: Adv Drug Deliv Rev. 2004 Feb 23;56(3):397-414
references: 14962589
references: Acta Pol Pharm. 1995 Sep-Oct;52(5):397-401
references: 8960273