Effective strategy for distinguishing raw and vinegar Schisandrae Chinensis Fructus based on electronic eye and electronic tongue combined with chemometrics.

INTRODUCTION: Schisandrae Chinensis Fructus (SCF), a traditional Chinese medicine, has been used in treating virtual injury and strain since ancient times. The Chinese Pharmacopoeia reveals that SCF includes raw (RSCF) and vinegar-processed (VSCF) decoction pieces. OBJECTIVE: This study developed an effective method combining the electronic eye (e-eye), electronic tongue (e-tongue), and chemometrics to discriminate RSCF and VSCF from the perspective of chemical composition, color, and taste. MATERIAL AND METHODS: First, RSCF were collected and processed into VSCF, and their color parameters, e-tongue sensory properties, high-performance liquid chromatography (HPLC) and ultra-HPLC (UPLC) characteristic fingerprints, and nominal ingredients were determined. Multivariate statistical analyses, including principal component, linear discriminant, similarity, and partial least squares discriminant analyses, were conducted. RESULTS: HPLC and UPLC fingerprints were established, demonstrating a > 0.900 similarity. The content determination indicated increased schisantherin A, schisantherin B, and schisandrin A contents in VSCF. The e-eye data demonstrated a > 1.5 total color difference before and after processing ΔE*ab, indicating the significantly changed sample color and appearance before and after processing. The e-tongue technology was used to quantitatively characterize the taste of RSCF and VSCF. The t-test revealed significantly reduced sourness, aftertaste-bitter, and aftertaste-astringent values of SCF after vinegar processing. Principal component and partial least squares discriminant analyses indicated that e-eye and e-tongue realize the rapid RSCF and VSCF identification. CONCLUSION: The proposed comprehensive strategy of electronic eye and electronic tongue combined with chemometrics demonstrated satisfactory results with high efficiency, accuracy, and reliability. This can be developed into a novel and accurate method for discriminating RSCF and VSCF.

[Changes in fingerprint and chromaticity values of Mori Cortex during stir-frying process].

This study aims to reveal the dynamics of the HPLC fingerprint, chromaticity values, and main chemical components of Mori Cortex during the stir-frying process. The fingerprints of raw and processed products of Mori Cortex were established. The content of mulberroside A, oxyresveratrol, kuwanon G, and kuwanon H in the samples and the chromaticity values of the samples were determined. Furthermore, the similarity evaluation of fingerprints and the correlation analysis between fingerprints and chromaticity values were carried out. The results showed that the fingerprints of raw and processed products of Mori Cortex had high similarity, and the overall changes in the content of the main chemical components in the stir-frying process were similar. According to the experience, when the stir-frying is moderate, the total chromaticity value difference |ΔE~*_(ab)| is above 1.5. With the extension of stir-frying time, the L~* and E~*_(ab) values keep decreasing, and the a~* value keeps increasing. The results of the correlation analysis between fingerprints and chromaticity values showed that peaks 1(5-hydroxy maltol), 2(mulberroside A), 3, 4, 6, 7, 11(oxyresveratrol), 14, 17(kuwanon G), and 18(kuwanon H) had significant correlations with the chromaticity values. Quantitative analysis of the four components with higher content showed that the content of the four components decreased to varying degrees when the stir-frying was excessive. In addition, 5-hydroxy maltol was produced after stir-frying of Mori Cortex, and the fingerprint and chromaticity values showed regular changes during the stir-frying process. The chromaticity can be included in the evaluation of the stir-frying process of Mori Cortex, which provides a reference for standardizing the quality of stir-fried Mori Cortex.

Chemical composition and absorption characteristics of Raw and Prepared Cassiae Semen extracts based on ultra-high-performance liquid chromatography-quadrupole Orbitrap high-resolution mass spectrometry.

In traditional Chinese medicine, the two commodity forms of Cassiae Semen Raw and Prepared Cassiae Semen, exert different clinical applications, in which Prepared Cassiae Semen is commonly used to treat liver and eye diseases. However, the material basis of Raw and Prepared Cassiae Semen remains unclear due to the limited studies on their overall composition and metabolism in vivo. In this study, an integrated analysis strategy based on ultra-high-performance liquid chromatography coupled with quadrupole-Orbitrap high-resolution mass spectrometry was established to systematically screen the prototype and metabolite constituents of Raw and Prepared Cassiae Semen. Automatic matching analysis of metabolites was performed on Compound Discoverer software based on the function of predicting metabolites. Using this strategy, a total of 77 compounds in Raw Cassiae Semen and 71 compounds in Prepared Cassiae Semen were identified. Furthermore, in vivo study, 46 prototype components and 104 metabolites from the Raw Cassiae Semen group and 41 prototype components and 87 metabolites from the Prepared Cassiae Semen group were unambiguously or preliminarily identified in mice (plasma, urine, feces, eye, and liver). This is the first study of chemical component analysis and in vivo metabolite profiling of Raw and Prepared Cassiae Semen.

Cardioprotective polyphenols from Geum japonicum var. chinense.

Seven undescribed tannins, namely gejaponin A-G, and one dehydrodigallic acid derivative 3,4-dihydroxy-5-(3,4,5-trihydroxy-1-ethoxycarbonyl phenoxy)benzoic acid, together with eighteen known polyphenols were isolated from the 95% ethanol extract of the aerial part of Geum japonicum Thunb. var. chinense F. Bolle. Their structures were elucidated on the basis of comprehensive analysis of UV, IR, NMR, HRMS, and CD spectroscopy experiments. To evaluate their bioactivities, sixteen major compounds were selected to intervene in hydrogen peroxide (H2O2)-induced oxidative damage on H9c2 rat cardiomyoblasts. Some compounds demonstrated high activity in this assay, of which, the known compounds 16 and 21 exhibited strong protective effects against H2O2-induced injury in H9c2 rat cardiomyoblasts, with a comparable cardioprotective activity as that of the positive control trimetazidine, thereby revealing cardioprotective activities from G. japonicum var. chinense.

Chemical composition and absorption characteristics of Angong Niuhuang Pill based on two-dimensional ultra-high-performance liquid chromatography-quadrupole Orbitrap high-resolution mass spectrometry.

Angong Niuhuang Pill (ANP) is a traditional Chinese medicine (TCM) formula with significant clinical efficacy in the treatment of stroke. Due to its complex composition, little attention has been directed toward the analysis of chemical composition and absorption characteristics of ANP. In this study, a reliable two-dimensional ultra-high-performance liquid chromatography (2D-UHPLC) coupled with quadrupole-Orbitrap high-resolution mass spectrometry (Q-Orbitrap HRMS) method was established to characterize the chemical constituents in ANP as well as the prototype components and metabolites absorbed in plasma, urine, feces, and brain tissues after oral administration. The prototype components were identified by a high mass accuracy (within 5 ppm) and MS/MS data based on online, local, and ANP self-built databases. The metabolites were predicted and identified using Compound Discoverer metabolic platform. A total of 154 compounds mainly including 37 flavonoids, 35 alkaioids, 19 organic acid, 19 bile acid, 32 terpenoids and 12 others were identified in this way. In addition, 60 prototype components mainly including flavonoids, alkaioids, organic acid, terpenoids and 164 metabolites were confirmed or preliminarily identified in rats. The metabolic pathways phase I reaction (hydration, reduction, oxidation, demethylation, and hydroxylation) and phase II reaction (acetylation, stearyl conjugation, and methylation) for the absorbed constituents were explored and summarized. This is the first systematic and comprehensive chemical characterization in ANP and its metabolism in vivo by 2D-UHPLC-Q-Orbitrap HRMS. This approach provides an effective strategy for the characterization of compounds and metabolites in traditional Chinese medicine formulas.

[Comparison of HPLC fingerprints and determination of main components of Viticis Fructus from different species].

In order to comprehensively evaluate the quality of Viticis Fructus, this study established HPLC fingerprints and evaluated the quality of 24 batches of Viticis Fructus samples from different species by similarity evaluation and multivariate statistical analysis(PCA, HCA, PLS-DA). On this basis, an HPLC method was established to compare the content differences of the main components, including casticin, agnuside, homoorientin, and p-hydroxybenzoic acid. The analysis was performed on the chromatographic column(Waters Symmetry C_(18)) with a gradient mobile phase of acetonitrile(A)-0.05% phosphoric acid solution(B) at the flow rate of 1 mL·min~(-1) and detection wavelength of 258 nm. The column temperature was 30 ℃ and the injection volume was 10 µL. The HPLC fingerprint of 24 batches of Viticis Fructus samples was established with 21 common peaks, and nine peaks were identified. Similarity analysis was carried out based on chromatographic data of 24 batches of chromatographic data of Viticis Fructus, and the results showed that except for DYMJ-16, the similarity of Vitex trifolia var. simplicifolia was ≥0.900, while that of V. trifolia was ≤0.864. In addition, the similarity analysis of two different species showed that the similarity of 16 batches of V. trifolia var. simplicifolia was 0.894-0.997 and that of the eight batches of V. trifolia was between 0.990 and 0.997. The results showed that the similarity of fingerprints of these two species was different, but the similarity between the same species was good. The results of the three multivariate statistical analyses were consistent, which could distinguish the two different species. The VIP analysis results of PLS-DA showed that casticin and agnuside contributed the most to the distinction. The content determination results showed that there was no significant difference in the content of homoorientin and p-hydroxybenzoic acid in Viticis Fructus from different species, but the content of casticin and agnuside was significantly different in different species(P<0.01). The content of casticin was higher in V. trifolia var. simplicifolia, while agnuside was higher in V. trifolia. The findings of this study show that there are differences in fingerprint similarity and component content of Viticis Fructus from different species, which can provide references for the in-depth study of the quality and clinical application of Viticis Fructus.

Pharbitidis Semen: A review of botany, traditional uses, phytochemistry, pharmacology, and toxicology.

ETHNOPHARMACOLOGICAL RELEVANCE: Pharbitidis Semen (the seeds of Ipomoea nil (L.) Roth or Ipomoea purpurea (L.) Roth), a popular traditional Chinese medicine, is also known as "Heichou" or "Baichou" (Chinese: , ). It can purge the bowels, promote diuresis, remove stagnated accumulation, and kill worms. It can be used for treating anasarca with constipation and oliguria; dyspnea and cough caused by retained fluid; abdominal pain because of intestinal parasitosis; ascariasis; and taeniasis. AIMS: This review discusses the botany, ethnopharmacology, phytochemistry, pharmacological activities, toxicology, and quality control of Pharbitidis Semen, to obtain a complete understanding of its effects and provide a basis for further research and the development of new drugs. MATERIALS AND METHODS: The literature on Pharbitidis Semen is mainly obtained from pharmacopoeias of different countries, masterpieces of traditional Chinese medicine, Master's and Ph.D. theses, and published articles obtained from literature retrieval websites, such as CNKI, PubMed, SciFinder, WanFang data, Web of Science, Springer, ScienceDirect, Wiley, ACS Publications, Taylor & Francis, J-STAGE, and Google Scholar. Its botany, ethnopharmacology, phytochemistry, pharmacological activities, toxicology, and quality control are discussed to understand its effects and provide a basis for further research. RESULTS: Pharbitidis semen has been used ethnomedically in many tropical and subtropical countries as deobstruents, diuretics, and anthelmintics. About 170 chemical compounds, including terpenoids, phenylpropanoids, resin glycosides, fatty acids and other compounds, have been isolated. It has been reported to have different effects, including laxative, renal-protective, neuroprotective, insecticidal, antitumor, anti-inflammatory, and antioxidant. Moreover, a brief introduction to processing, toxicity, and quality control is provided. CONCLUSIONS: The traditional efficacy of Pharbitidis Semen in diarrhea has been confirmed, but its bioactive and toxic ingredients are not entirely clear. It is necessary to strengthen the research and identification of effective parts or natural active components of Pharbitidis Semen, clarify the molecular mechanism of its toxicity and change rule of endogenous substances to make Pharbitidis Semen better used in clinical practice. Additionally, the imperfect quality standard is also a challenge that must be solved urgently. The study of modern pharmacology has broadened the application of Pharbitidis Semen and provided ideas for better utilization of this resource.

Cassiae Semen: A comprehensive review of botany, traditional use, phytochemistry, pharmacology, toxicity, and quality control.

ETHNOPHARMACOLOGICAL RELEVANCE: Cassiae Semen, belonging to the family Leguminosae, is derived from the dry mature seeds of Cassia obtusifolia L. or Cassia tora L. and has long been used as a laxative, hepatoprotective, improve eyesight, and antidiabetic complications medicine or functional food in Asia. AIMS OF THE REVIEW: This review summarizes the integrated research progress of botany, traditional uses, phytochemistry, pharmacology, toxicity, and quality control of Cassiae Semen. Additionally, the emerging challenges and possible developing directions are discussed as well. MATERIALS AND METHODS: The information on Cassiae Semen was collected from published scientific materials, including ancient books of traditional Chinese Medicine; Ph.D. and M. Sc. dissertations; monographs on medicinal plants; pharmacopoeia of various countries and electronic databases, such as PubMed, Web of Science, ACS, Science Direct, J-STAGE, Springer link, Taylor, CNKI and Google Scholar, etc. RESULTS: First, the traditional uses and plant origins of Cassiae Semen are outlined. Secondly, approximately 137 compounds, including anthraquinones, naphthopyranones, naphthalenes, flavones, polysaccharides and other compounds, have been isolated and identified from Cassia obtusifolia L. and Cassia tora L. Third, the pharmacological activities and mechanisms of crude extract of Cassiae Semen and its main bioactive compounds are summarized. Moreover, the processing, toxicity, and quality control are introduced briefly. CONCLUSIONS: Cassiae Semen is a frequently used Chinese Materia Medica with pharmacological effects that mainly affect the digestive system, cardiovascular systems and nervous system. This review summarized its botany, traditional uses, phytochemistry, and pharmacology, it also exhibited recent scientific research advances and gaps, which provide a deeper insight into the understanding and application of Cassiae Semen. In future research on Cassiae Semen, more attention should be given to the pharmacological activities of naphthopyranones and polysaccharides and the mechanism of action for improving eye diseases. Meanwhile, it is essential to focus on strengthening the study on the pharmacokinetics research and the safety evaluation of related health products research.

Research on Processing-Induced Chemical Variations in Polygonatum Cyrtonema Rhizome by Integrating Metabolomics and Glycomics.

Polygonatum cyrtonema rhizome (PCR), the dried sweet rhizome of Polygonatum cyrtonema Hua, is commonly used as a tonic remedy and a functional food in Asia, Europe, and North America. Multiple components, including secondary metabolites, monosaccharides, oligosaccharides, and polysaccharides, collectively contribute to the therapeutic effects of PCR. Processing time exerts a significant influence on the quality of PCR, but the various processing stages have not been comprehensively chemically profiled. It is urgent to study processing-induced chemical variations in PCR to control the processing degree. In this study, multiple chromatographic and mass spectrometric techniques were used in combination with multivariate statistical analysis to perform qualitative and quantitative research on secondary metabolites and carbohydrates in PCR during processing. The results demonstrated that PCR processing can be divided into three stages, namely the raw stage (0 h), the middle stage (1-6 h), and the late stage (8-18 h). Twenty differential compounds were screened from secondary metabolites and oligosaccharides to distinguish PCR in different processing stages. Furthermore, the chemical variations of Polygonatum cyrtonema polysaccharides (PCP) also entered a new stage after processing for 6 h. Multiple chemical mechanisms, including hydrolysis, oxidative decomposition, dehydration, Maillard reaction, and polymerization were involved in the processing. This work provides a scientific basis to reveal the relationship between processing stage and chemical variations.