Multi-Component Characterization and Quality Evaluation Strategy of Herba by Combining Dual-Column Tandem HPLC Fingerprint and UPLC-Q-TOF-MS/MS.

A dual-column tandem mode was used to establish the fingerprints of herb from different origins, and their chemical compositions were characterized by UPLC-Q-TOF-MS/MS, which provided an experimental basis for the establishment of a rapid and efficient method for the overall quality control of herba. For the first time, nine common components were identified from the herba herbs of 24 origins, which were neochlorogenic acid, chlorogenic acid, 4-caffeoylquinic acid, eleutheroside B1, quercetin-3-O-β-D-glucuronide, neoastilbin, astilbin, isofraxidin, and rosmarinic acid, respectively. A total of 92 compounds were identified by liquid mass spectrometry.

Deep learning-based drug screening for the discovery of potential therapeutic agents for Alzheimer's disease.

Alzheimer's disease (AD) is gradually increasing in prevalence and the complexity of its pathogenesis has led to a lengthy process of developing therapeutic drugs with limited success. Faced with this challenge, we proposed using a state-of-the-art drug screening algorithm to identify potential therapeutic compounds for AD from traditional Chinese medicine formulas with strong empirical support. We developed four deep neural network (DNN) models for AD drugs screening at the disease and target levels.

Comprehensive multicomponent characterization and quality assessment of Xiaoyao Wan by UPLC-Q-Orbitrap-MS, HS-SPME-GC-MS and HS-GC-IMS.

Xiaoyao Wan (XYW) is a prescription medicine of traditional Chinese medicine (TCM) with the effects of "soothing the liver and relieving depression," and "strengthening spleen and nourishing blood". XYW has been widely concerned in the treatment of depression and has become one of the commonly used classic formulas in clinical practice. However, the pharmacodynamic substance basis and the quality control studies of XYW are hitherto quite limited.

[Moisture content measurement model of whole package of Chinese medicinal materials based on microwave transmission technology].

In view of the relatively low representativeness of manual sampling inspection, and long time-consuming in oven detection of moisture content, which delayed the subsequent production period, this paper proposed a scheme for rapid moisture quantitative detection for Chinese medicinal materials by microwave transmission technology, and took 8 different types of Chinese medicinal mate-rials as examples to analyze the feasibility and reliability of the scheme for the detection results of moisture content of the whole package of Chinese medicine. In the experiment, the least square method was used to establish the measurement model of microwave absorption rate-moisture content for each kind of medicinal material. The results showed that the microwave transmission measurement of moisture content achieved high-precision measurement of the moisture content of Schisandrae Chinensis Fructus, Ziziphi Spinosae Semen, Poria, Pheretima, Lilii Bulbus, Scutellariae Radix, and Galli Gigerii Endothelium Corneum.

Emerging biotechnology applications in natural product and synthetic pharmaceutical analyses.

Pharmaceutical analysis is a discipline based on chemical, physical, biological, and information technologies. At present, biotechnological analysis is a short branch in pharmaceutical analysis; however, bioanalysis is the basis and an important part of medicine. Biotechnological approaches can provide information on biological activity and even clinical efficacy and safety, which are important characteristics of drug quality.

Laser-induced breakdown spectroscopy (LIBS) for the detection of exogenous contamination of metal elements in lily bulbs.

Natural products with the underground edible part have the risk of excessive heavy metals due to the influence of the growing environment. In this study, the content of five metal elements in lily bulbs was detected by laser-induced breakdown spectroscopy (LIBS). In view of the mutual interference among elements, multivariable analysis models were established to effectively eliminate the interference.

A feasibility study on improving the non-invasive detection accuracy of bottled Shuanghuanglian oral liquid using near infrared spectroscopy.

The ultimate goal of the study is to present a strategy to improve the accuracy of near-infrared spectroscopy detection of Shuanghuanglian oral liquid in glass bottles without damaging the primary packaging. we adopted the multi-position spectral modeling (MPSM) method to correct the spectral variation caused by the difference of bottle and measuring position, so as to improve the measurement accuracy and find the best site combination for measuring Shuanghuanglian oral liquid. Baicalin, total flavonoids and soluble solid contents were considered as the quality indicators of the oral liquid, and partial least squares (PLS) models were employed for the single-position and multi-position spectra, respectively.