Background Cimicifugae Rhizoma, known in Chinese as Shengma, is a common medicinal material in traditional Chinese medicine (TCM), mainly used for treating wind-heat headaches, sore throat, uterine prolapse, and other diseases. Objectives An approach using a combination of ultra-performance liquid chromatography (UPLC), mass spectrometry (MS), and multivariate chemometric methods was designed to assess the quality of Cimicifugae Rhizoma. Materials and methods All materials were crushed into powder and the powdered sample was dissolved in 70% aqueous methanol for sonicating. Chemometric methods, including hierarchical cluster analysis (HCA), principal component analysis (PCA), and orthogonal partial least squares discriminant analysis (OPLS-DA), were adopted to classify and perform a comprehensive visualization study of Cimicifugae Rhizoma. The unsupervised recognition models of HCA and PCA obtained a preliminary classification and provided a basis for classification. In addition, we constructed a supervised OPLS-DA model and established a prediction set to further validate the explanatory power of the model for the variables and unknown samples. Results Exploratory work research found that the samples were divided into two groups, and the differences were related to appearance traits. The correct classification of the prediction set also demonstrates a strong predictive ability of the models for new samples. Subsequently, six chemical makers were characterized by UPLC-Q-Orbitrap-MS/MS, and the content of four components was determined. The results of the content determination revealed the distribution of representative chemical markers caffeic acid, ferulic acid, isoferulic acid, and cimifugin in two classes of samples. Conclusions This strategy can provide a reference for assessing the quality of Cimicifugae Rhizoma, which is significant for the clinical practice and quality control of Cimicifugae Rhizoma.

Introduction: The characteristics of chemical components or groups of chemical components in traditional Chinese medicines (TCMs) determine their clinical efficacy.Quality markers (Q-markers) is of great significance for standardizing the quality control system of TCM. Objectives:We aimed to develop a new strategy to discover potential Q-markers of TCM by integrating chemometrics, network pharmacology, and molecular docking, using Centipeda minima (also known as ebushicao [EBSC]) as an example.Materials and methods: First, fingerprints of different batches of EBSC and its counterfeit Arenaria oreophila (also known as zaozhui [ZZ]) were established. Second, chemometric analysis was conducted to determine the influence of varying authenticity/ batches of herbs on quality and the chemical markers were screened out. Third, network pharmacology and molecular docking simulations were used to verify the relationship between active ingredients and targets. Lastly, potential Q-markers were selected based on TCM theory. Results:The chemical profiles of EBSC and ZZ were investigated. It was found that different batches of EBSC have differences in chemical composition. Based on our chemometric analysis, chlorogenic acid, rutin, isochlorogenic acid A, quercetin, arnicolide D, and brevilin A were selected as candidate active ingredients. ATIL6, EGFR, CASP3, MYC, HIF1A, and VEGFA were the main targets. Molecular docking was used to verify the binding ability. Based on the concept of Q-marker, arnicolide D and brevilin A were identified as potential Q-markers for EBSC.Conclusions: Our strategy could be used as a practical approach to discover Qmarkers of TCM to evaluate overall chemical consistency.

Chinese medicine polysaccharides refer to a class of active polysaccharides extracted from traditional Chinese medicines. They are widely used natural macromolecules with various pharmacological activities such as antiviral, antibacterial, anti‐inflammatory, anti‐cancer, anti‐hypertensive, and antioxidant effects, as well as affecting the immunomodulation and regulation of intestinal flora. In recent years, the research on Chinese medicine polysaccharides in pharmacological disciplines has grown rapidly. To understand the research trends of Chinese medicine polysaccharides, this study adopts a bibliometric approach based on the Web of Science core database (WoSCC) by analyzing the publication year, authors, countries/regions, organizations, journals, and critical characteristics of relevant literature to explore the current and future research trends related to Chinese medicine polysaccharides. In addition, the traditional and modern extraction methods of Chinese medicine polysaccharides are reviewed. This paper lays a framework for the development of Chinese medicine polysaccharides. The information helps researchers explore new directions and perspectives for future research.

Physalis Calyx seu Fructus (PCF) is one herb with the function of clearing heat and detoxify, benefiting pharynx and reducing phlegm, widely used in health care and tea drinking in China. However, the storage period of fruit and calyx was short and the quality was uneven. It is very important to further develop other parts with long storage period and obvious effect of medicine in PCF. Firstly, the fingerprint of differernt parts of PCF was developed by High-performance Liquid Chromatography (HPLC). The chemical markers were screened out by a variety of chemometric analyses. It was found that the calyxes of PCF could self-cluster among fruits, roots, stems, and leaves. It was found that the significant active components of PCF were mainly in persistent calyxes, and flavonoids were mainly in persistent calyxes and leaves. Moreover, the extraction of persistent calyxes had the strongest scavenging ability of DPPH and ABTS. Finally, the important chemical markers were verified by network pharmacological analysis and molecular docking. It provides a reference for clinical application of PCF, and the obtained chemical markers also provide a scientific reference for quality evaluation.

The quality of the root bark of Morus alba L. (SBP) herbs currently circulating in the market is variable. In order to ensure clinical effectiveness, a high-performance liquid chromatography (HPLC) fingerprinting method combined with chemical pattern recognition should be established to control the quality of SBP herbs. The differences of 23 batches of SBP were analyzed by exploratory cluster analysis based on shared fingerprint peak data, and the results indicated that the processing method to remove the cork layer from SBP materials is an important influencing factor on SBP quality. Principal component analysis indicated that SBP samples with the cork layer removed can be clearly distinguished from samples without cork layer removal. The potential chemical markers (kuwanon G, morusin and oxyresveratrol) were screened by partial least squares discriminant analysis. Finally, the contents of the main components were determined, indicating that the processing method of SBP materials can affect content of bioactive ingredients and that cork layer removal leads to a more uniform chemometric profile. The HPLC-based chemometrics approach described here will support the development of quality standards in SBP products.