Vibrational spectroscopic study of fluticasone propionate

Ali, H. R. H., Edwards, H. G. M., Kendrick, J. and Scowen, I. J. (2009) Vibrational spectroscopic study of fluticasone propionate. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 72 (2). pp. 244-247. ISSN 1386-1425

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Fluticasone propionate is a synthetic glucocorticoid with potent anti-inflammatory activity that has been used effectively in the treatment of chronic asthma. The present work reports a vibrational spectroscopic study of fluticasone propionate and gives proposed molecular assignments on the basis of ab initio calculations using BLYP density functional theory with a 6-31G* basis set and vibrational frequencies predicted within the quasi-harmonic approximation. Several spectral features and band intensities are explained. This study generated a library of information that can be employed to aid the process monitoring of fluticasone propionate. © 2008 Elsevier B.V. All rights reserved.

Keywords:Density functional theory, Process engineering, Process monitoring, Raman scattering, Raman spectroscopy, Spectroscopic analysis, Spectrum analysis, Vibrational spectroscopy, Ab initio calculations, Ab initio structural calculations, Band intensities, Basis sets, Fluticasone propionate, Glucocorticoid, Harmonic approximations, Inflammatory activities, Respiratory pharmaceuticals, Spectral features, Spectroscopic studies, Vibrational frequencies, Infrared spectroscopy, androstane derivative, antiinflammatory agent, fluticasone, article, chemical structure, chemistry, Raman spectrometry, vibration, Androstadienes, Anti-Inflammatory Agents, Molecular Structure, Spectrum Analysis, Raman, Vibration
Subjects:F Physical Sciences > F100 Chemistry
Divisions:College of Science > School of Chemistry
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ID Code:13042
Deposited On:19 Mar 2014 18:00

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