Mar. Drugs 2012, 10(5), 1180-1191; doi:10.3390/md10051180
Article

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

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.
Received: 5 March 2012; in revised form: 8 May 2012 / Accepted: 10 May 2012 / Published: 23 May 2012
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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.
Keywords: oyster shell; traditional Chinese medicine; chemical profile; principal component analysis; caffeine

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MDPI and ACS Style

Yang, X.; Zhou, S.-L.; Ma, A.-C.; Xu, H.-T.; Guan, H.-S.; Liu, H.-B. Chemical Profiles and Identification of Key Compound Caffeine in Marine-Derived Traditional Chinese Medicine Ostreae concha. Mar. Drugs 2012, 10, 1180-1191.

AMA Style

Yang X, Zhou S-L, Ma A-C, Xu H-T, Guan H-S, Liu H-B. Chemical Profiles and Identification of Key Compound Caffeine in Marine-Derived Traditional Chinese Medicine Ostreae concha. Marine Drugs. 2012; 10(5):1180-1191.

Chicago/Turabian Style

Yang, Xue; Zhou, Shi-Lu; Ma, Ai-Cui; Xu, Hai-Tao; Guan, Hua-Shi; Liu, Hong-Bing. 2012. "Chemical Profiles and Identification of Key Compound Caffeine in Marine-Derived Traditional Chinese Medicine Ostreae concha." Mar. Drugs 10, no. 5: 1180-1191.

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