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Molecules 2017, 22(7), 1237; doi:10.3390/molecules22071237

A Novel and Practical Chromatographic “Fingerprint-ROC-SVM” Strategy Applied to Quality Analysis of Traditional Chinese Medicine Injections: Using KuDieZi Injection as a Case Study

1
College of Traditional Chinese Materia Medica, Tianjin University of Traditional Chinese Medicine, 312 Anshan West Road, Tianjin 300193, China
2
Tonghua Huaxia Pharmaceutical Co., Ltd., 3333 Tuanjie Road, Tonghua 134100, China
3
Tianjin State Key Laboratory of Modern Chinese Medicine, Tianjin University of Traditional Chinese Medicine, 312 Anshan West Road, Tianjin 300193, China
*
Authors to whom correspondence should be addressed.
Received: 9 July 2017 / Revised: 21 July 2017 / Accepted: 22 July 2017 / Published: 23 July 2017
(This article belongs to the Collection Herbal Medicine Research)
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Abstract

Fingerprinting is widely and commonly used in the quality control of traditional Chinese medicine (TCM) injections. However, current studies informed that the fingerprint similarity evaluation was less sensitive and easily generated false positive results. For this reason, a novel and practical chromatographic “Fingerprint-ROC-SVM” strategy was established by using KuDieZi (KDZ) injection as a case study in the present article. Firstly, the chromatographic fingerprints of KDZ injection were obtained by UPLC and the common characteristic peaks were identified with UPLC/Q-TOF-MS under the same chromatographic conditions. Then, the receiver operating characteristic (ROC) curve was used to optimize common characteristic peaks by the AUCs value greater than 0.7. Finally, a support vector machine (SVM) model, with the accuracy of 97.06%, was established by the optimized characteristic peaks and applied to monitor the quality of KDZ injection. As a result, the established model could sensitively and accurately distinguish the qualified products (QPs) with the unqualified products (UPs), high-temperature processed samples (HTPs) and high-illumination processed samples (HIPs) of KDZ injection, and the prediction accuracy was 100.00%, 93.75% and 100.00%, respectively. Furthermore, through the comparison with other chemometrics methods, the superiority of the novel analytical strategy was more prominent. It indicated that the novel and practical chromatographic “Fingerprint-ROC-SVM” strategy could be further applied to facilitate the development of the quality analysis of TCM injections. View Full-Text
Keywords: chromatographic fingerprint; receiver operating characteristic curve; support vector machine; traditional Chinese medicine injections; quality analysis chromatographic fingerprint; receiver operating characteristic curve; support vector machine; traditional Chinese medicine injections; quality analysis
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Yang, B.; Wang, Y.; Shan, L.; Zou, J.; Wu, Y.; Yang, F.; Zhang, Y.; Li, Y.; Zhang, Y. A Novel and Practical Chromatographic “Fingerprint-ROC-SVM” Strategy Applied to Quality Analysis of Traditional Chinese Medicine Injections: Using KuDieZi Injection as a Case Study. Molecules 2017, 22, 1237.

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