Chemical Profiles and Identification of Key Compound Caffeine in Marine-Derived Traditional Chinese Medicine Ostreae concha

Marine Drugs

Xue Yang²  Shi-Lu Zhou¹  Ai-Cui Ma²  Hai-Tao Xu¹  Hua-Shi Guan² 

[1] Technology Center of China Tobacco Shandong Industrial Corporation, Qingdao 266101, China;Key Laboratory of Marine Drugs, Chinese Ministry of Education, School of Medicine and Pharmacy, Ocean University of China, Qingdao 266003, China;

关键词: oyster shell;    traditional Chinese medicine;    chemical profile;    principal component analysis;    caffeine;   

DOI  :  10.3390/md10051180

来源: mdpi

【 摘 要 】

To compare the chemical differences between the medicinal and cultured oyster shells, their chemical profiles were investigated. Using the ultra performance liquid chromatography-electron spraying ionization-mass spectrometry (UPLC-ESI-MS), combined with principal component analysis (PCA) and orthogonal projection to latent structures discriminant analysis (OPLS-DA), the discrimination of the chemical characteristics among the medicinal and cultured oyster shells was established. Moreover, the chemometric analysis revealed some potential key compounds. After a large-scale extraction and isolation, one target key compound was unambiguously identified as caffeine (1) based on extensive spectroscopic data analysis (1D and 2D NMR, MS, and UV) and comparison with literature data.

【 授权许可】

CC BY   
© 2012 by the authors; licensee MDPI, Basel, Switzerland.