Quality assessment of herbal medicines based on chemical fingerprints combined with chemometrics approach: A review

• Published in: Journal of pharmaceutical and biomedical analysis Vol. 185; p. 113215
• Main Authors: Li, Yun, Shen, Yao, Yao, Chang-liang, Guo, De-an
• Format: Journal Article
• Language: English
• Published: England Elsevier B.V 05.06.2020
• Subjects: Analytical techniques; Chemical fingerprints; Chemistry, Pharmaceutical - methods; Chemometrics; Chromatography - methods; Drugs, Chinese Herbal - analysis; Drugs, Chinese Herbal - standards; Herbal medicine; Mass Spectrometry - methods; Plants, Medicinal - chemistry; Quality assessment; Quality Control; HM; XRF; QDA; QqQ; DModX; MCR-ALS; ICP–MS; HSI; UV; UNEQ; N3; MS; HCA; HMBC; OPLS-DA; IR; IT; EEM; LIBS; DART–MS; PCA; AAS; MSPA; RF; ATR–IR; MIR; ICP–OES; FT–MIR; MSPC; U-PLS-DA; ANN; LDA; Analytical techniques; ICP–AES; TLC; APCI; SVM; COSY; SVR; FT-NIR; k-NN; PARS; ESI; GA; SNV; Chemical fingerprints; GC; MSC; HPLC; HPTLC; 2D–COS; FID; SFS; CE; GC–MS; DAD; SIMCA; LC–MS; PLS-DA; Herbal medicine; NMR; FT-Raman; GRAM; LIT; NIR; LC; PARAFAC; ICR; PLS-CM; Quality assessment; HSQC; M-PCA; PLSR; Chemometrics; GLC; N-PLS-DA
• ISSN: 0731-7085; 1873-264X; 1873-264X
• DOI: 10.1016/j.jpba.2020.113215

[Display omitted] •The combination of chemical fingerprint and chemometrics is a powerful tool for quality assessment of herbal medicines.•Overviews of fingerprint technologies, chemometrics methods, analysis workflow and application scopes are provided.•Optimization selection of fingerprint technologies and chemometrics methods depend on practical purpose is highlighted. Herbal medicine (HM) has been playing a pivotal role in maintaining human health since ancient times, and its therapeutic theory and clinical experience are the precious traditional medical knowledge reserves. As HM occupies an important position in its own right in global healthcare systems, robust quality assessment and control over its complex chemical composition was of great significance to assure its efficacy and safety. Over the past decades, the concept of HM chemical fingerprints aiming to obtain a comprehensive characterization of complex chemical matrices has become one of the most convincing tools for the quality assessment of HM. This review summarizes the recent analytical techniques used to generate HM chemical fingerprints, including chromatography, vibrational spectroscopy, nuclear magnetic resonance spectroscopy, and mass spectrometry. The advantages, drawbacks, and the application scope of each technology have been scrutinized in an attempt to better understand the data analysis. Furthermore, HM fingerprints together with multivariate and multiway chemometrics methods used for different application domains, such as similarity, exploratory, classification, and regression analysis, have also been discussed and illustrated with a few typical studies. The article provides a general picture and workflow of fingerprinting analyses that have been used for the quality assessment of HM.