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1

Key Laboratory of Marine Drugs, Chinese Ministry of Education, School of Medicine and Pharmacy, Ocean University of China, Qingdao 266003, China

2

Technology Center of China Tobacco Shandong Industrial Corporation, Qingdao 266101, China





*

Authors to whom correspondence should be addressed.



Abstract 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. View Full-Text

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





Autor: Xue Yang 1, Shi-Lu Zhou 2, Ai-Cui Ma 1, Hai-Tao Xu 2, Hua-Shi Guan 1,* and Hong-Bing Liu 1,*

Fuente: http://mdpi.com/



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