Inspecting the structural characteristics of chiral drug penicillamine under different pH conditions using Raman optical activity spectroscopy and DFT calculations

The investigation of the structural characteristics of chiral drugs in physiological environments is a challenging research topic, which may lead to a better understanding of how the drugs work. Raman optical activity (ROA) spectroscopy in combination with density functional theory (DFT) calculation...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2021-10, Vol.23 (38), p.22119-22132
Hauptverfasser:	Guo, Yu-Ting, Xiao, Yuan-Hui, Zhang, Ji-Guang, Bian, Si-Da, Zhou, Jian-Zhang, Wu, De-Yin, Tian, Zhong-Qun
Format:	Artikel
Sprache:	eng
Schlagworte:	Aqueous solutions Density functional theory Deuteration Drugs Isomers Optical activity Pattern recognition Physiology Solvation Spectroscopy Spectrum analysis
Online-Zugang:	Volltext
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