Identification of chiral lansoprazole drugs using THz fingerprint spectroscopy

Lansoprazole, as a typical peptic ulcer disease (PUD) chiral drug, was investigated using terahertz (THz) fingerprint spectroscopy. Lansoprazole, S -lansoprazole, and R -lansoprazole had characteristic absorption peaks at 1.50 THz, 1.78 THz, and 2.00 THz, respectively, which can be used as the basis...

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Bibliographic Details
Published inChemical papers Vol. 77; no. 2; pp. 887 - 893
Main Authors Chen, Hua, Han, Juan, Liu, Jie, Gao, Lei, Ma, Shihua
Format Journal Article
LanguageEnglish
Published Warsaw Versita 01.02.2023
Springer Nature B.V
Subjects
Absorption
Biochemistry
Biotechnology
Chemistry
Chemistry and Materials Science
Chemistry/Food Science
Density functional theory
Drugs
Fingerprints
Industrial Chemistry/Chemical Engineering
Materials Science
Medicinal Chemistry
Original Paper
Peptic ulcers
Spectroscopy
Vibration mode
Fingerprint
DFT
Absorption coefficients
Lansoprazole
THz
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Summary:Lansoprazole, as a typical peptic ulcer disease (PUD) chiral drug, was investigated using terahertz (THz) fingerprint spectroscopy. Lansoprazole, S -lansoprazole, and R -lansoprazole had characteristic absorption peaks at 1.50 THz, 1.78 THz, and 2.00 THz, respectively, which can be used as the basis to qualitatively identify chiral lansoprazole drugs. In this study, a density functional theory (DFT) simulation was performed to gain insight into the origin of the characteristic absorption peak. The DFT calculation results were consistent with our experimental THz spectroscopic data and indicated that the characteristic absorption peaks came from the different vibrational modes induced by different polymorphs of the lansoprazole samples.
ISSN:0366-6352
1336-9075
2585-7290
DOI:10.1007/s11696-022-02529-x