Vibrational Fingerprint of Erlotinib: FTIR, RS, and DFT Studies
Joint Authors
Piergies, Natalia
Paluszkiewicz, Czeslawa
Kwiatek, Wojciech M.
Source
Issue
Vol. 2019, Issue 2019 (31 Dec. 2019), pp.1-10, 10 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2019-08-20
Country of Publication
Egypt
No. of Pages
10
Main Subjects
Abstract EN
In this study, we provide the first Fourier-transform infrared absorption spectroscopy (FTIR) and Raman spectroscopy (RS) analysis of a vibrational fingerprint of erlotinib, a drug which is applied in non-small cell lung cancer therapy, in solid state and solution in different pH conditions.
Additionally, the performed DFT theoretical calculations in vacuum and PCM models support the interpretation of vibrational spectra and give insight into an optimized spatial configuration of the investigated drug.
The present considerations show vibrational structure of erlotinib and details of its molecular geometry.
Furthermore, we discuss the pH condition where the protonated –NH+ and C=N+ forms occur and indicate the spectral changes characteristic for the erlotinib protonation.
It is of great of importance to better understand biological activity of the drug and to develop new tyrosine kinase inhibitors.
American Psychological Association (APA)
Piergies, Natalia& Paluszkiewicz, Czeslawa& Kwiatek, Wojciech M.. 2019. Vibrational Fingerprint of Erlotinib: FTIR, RS, and DFT Studies. Journal of Spectroscopy،Vol. 2019, no. 2019, pp.1-10.
https://search.emarefa.net/detail/BIM-1192158
Modern Language Association (MLA)
Piergies, Natalia…[et al.]. Vibrational Fingerprint of Erlotinib: FTIR, RS, and DFT Studies. Journal of Spectroscopy No. 2019 (2019), pp.1-10.
https://search.emarefa.net/detail/BIM-1192158
American Medical Association (AMA)
Piergies, Natalia& Paluszkiewicz, Czeslawa& Kwiatek, Wojciech M.. Vibrational Fingerprint of Erlotinib: FTIR, RS, and DFT Studies. Journal of Spectroscopy. 2019. Vol. 2019, no. 2019, pp.1-10.
https://search.emarefa.net/detail/BIM-1192158
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1192158