INTRODUCTION:Anoectochilus roxburghii (AR) is a prized medicinal herb valued for its hepatoprotective effects. Its quality varies depending on geographical origin. The primary bioactive constituents include rutin, quercetin-7-O-glucoside, kaempferol-3-O-rutinoside, narcissin, quercetin, and kinsenoside. A method that enables simultaneous determination of both the content and bioactivity of the herb is therefore essential for effective quality control. OBJECTIVE:To develop a rapid, nondestructive approach for simultaneously predicting the contents of primary bioactive constituents and hepatoprotective effects of AR using hyperspectral camera imaging (HCI) combined with deep learning models. METHOD:Hyperspectral images of 100 AR batches were acquired using a portable Vis-NIR HCI system (389.81-1048.18 nm). The contents of six active compounds were quantified via HPLC-UV and HPLC-ELSD, while hepatoprotective activity was evaluated using an APAP-induced L02 cell injury model. Quantitative calibration models were constructed using partial least squares regression (PLSR) and the following three deep learning architectures: liquid neural network (LNN), Mamba state space model, and graph convolutional network (GCN). Their predictive performances were systematically compared. Shewhart control charts were employed to visualize batch-to-batch quality variation. RESULT:The Mamba model demonstrated superior predictive performance across all seven quality attributes, achieving the highest coefficients of determination (Rp 2 up to 0.9972) and the lowest prediction errors. It significantly outperformed PLSR, LNN, and GCN models. Furthermore, the integration of Shewhart charts enabled effective visualization of quality consistency across batches. CONCLUSION:This study presents a novel HCI-Mamba framework designed for the rapid, nondestructive, and multicomponent quality assessment of AR. The proposed strategy offers a high-throughput solution for AR quality control while providing a methodological framework applicable to other complex herbal medicines.
BACKGROUND:Cardiovascular diseases (CVDs) remain a leading cause of global mortality and impose a substantial health and economic burden worldwide. Exosomes, as promising endogenous nanocarriers, have emerged as a powerful tool for the prevention and treatment of CVDs. In particular, advanced functionalization strategies have largely enhanced exosomal therapeutic efficacy in vivo. Notably, Traditional Chinese Medicine (TCM) and its bioactive components exert profound regulatory effects on exosomes. METHODS:In this review, we systematically summarize exosome-based therapeutic strategies for CVDs, along with state-of-art functionalization approaches to optimize exosomal cargo loading and targeted delivery. We further provide a comprehensive overview of TCM-mediated exosomal regulation. RESULTS:We found that TCM and TCM-derived chemicals can optimize exosomal cargo loading, especially the loading of microRNAs (miRNAs) and bioactive chemicals. More importantly, TCM and chemicals can promote exosomal secretion, which provides new avenues for exosomal-scale production. Besides, there are synergistic effects between exosomes and TCM when co-administered. CONCLUSION:Collectively, exosome-based systems hold great promise for CVD therapy, and TCM provides novel strategies for exosomal functionalization, which substantially enhances exosomal-mediated therapeutic efficacy for CVDs.
INTRODUCTION:Aloe-emodin (AE), as an anthraquinone active component in traditional Chinese medicine, exhibits multiple pharmacological activities, yet its mechanism of hepatotoxicity remains unclear. The purpose of this study was to systematically investigate the molecular mechanism of AE-induced hepatotoxicity, with a specific focus on hepatic protein adduction. MATERIALS AND METHODS:AE was incubated with murine hepatic protein solution, followed by enzymatic digestion and liquid chromatography-tandem mass spectrometry analysis to detect l-cysteine covalent adducts. For in vivo study, mice were administered AE, and the formation of hepatic protein adduction was monitored over time and across different doses. Additionally, buthionine sulfoximine was used as a pretreatment to assess the role of glutathione in the adduction process. Cell experiments were also performed to evaluate the relationship between protein adduct formation and cytotoxicity. RESULTS:AE-cysteine covalent adducts A1 and A2 were identified both in vitro and in livers of AE-treated mice. In vivo study confirmed dose-dependent formation of AE-cysteine adducts (A1/A2) in mouse liver, peaking at 30 min. Depleting glutathione elevated A1 and A2 levels by 40.43% and 27.93% in vivo, indicating the protective role of glutathione through competitively conjugating with AE, thereby reducing its covalent modification of hepatic proteins. Cytotoxicity of AE is positively correlated with its concentration, which reveals the critical role of adduct formation in initiating dosage-dependent cytotoxicity. CONCLUSION:This study demonstrates that hepatotoxicity of AE is directly associated with the formation of covalent adducts targeting l-cysteine residues, providing a critical theoretical foundation for safety evaluation and clinical application of AE-containing herbs.
INTRODUCTION:20(R)-ginsenosides are formed by Walden inversion during ginseng processing and usually exhibit almost identical MS/MS behaviors, yet display distinct pharmacological activities compared with 20(S)-configurational isomers. It is thereby crucial for isomer differentiation to facilitate quality control. OBJECTIVE:To pursue a program enabling 20(R)- and 20(S)-ginsenosides discrimination in complicated matrices using MS/MS, red ginseng, the processed form of ginseng, was deployed as a representative. METHODS:Five pairs of ginsenoside epimers were collected for method development. MS1 and MS2 spectra of every trimeric complex ion formed by complexation of ginsenoside, l-Phe, and Cu2+ were recorded using direct infusion (DI)-MS/MS, and the abundance ratio between the two dimeric fragment ions was termed R. Moreover, energy-resolved MS (ER-MS) was deployed to monitor fragmentation trajectories of precursor and concerned fragment ions and to determine the R feature at optimal collision energy, denoted Rmax. To validate the applicability for differentiating epimers in complicated matrices, e.g., red ginseng extract, post-column infusion (PCI) was introduced to configure PCI-LC-ER-MS. RESULTS:20(R)- vs. 20(S)-Rg3 as representatives, [Cuᴵᴵ(l-Phe)2(20(R)-/20(S))-Rg3)-H]+ complex ions were observed and R values of the dimeric fragment ions such as [Cuᴵᴵ(l-Phe)(20(R)-/20(S))-Rg3)-H]+ and [Cuᴵᴵ(l-Phe)2-H]+, exhibited differences. Rmax features obtained by DI-ER-MS showed significant differences when comparing other 20(R)- and 20(S)-configurational isomers, leading to a reliable way for epimer discrimination. The reproducibility of recognition capability on PCI-LC-ER-MS platform was justified and applied to epimer differentiation in red ginseng extract. Successes were reached for the differentiation of two pairs of epimers, 20(R)- and 20(S)-Rg3, and 20(R)- and 20(S)-Rh1. CONCLUSION:In summary, the proposed strategy combined the complexation driven by [CuII(l-Phe)2-H]+ with PCI-LC-ER-MS enables the differentiation of 20(R)- and 20(S)-configurational ginsenoside isomers in complicated matrices.
INTRODUCTION:As sleep disorders and mental stress become increasingly prevalent, public demand for functional foods and health products that improve sleep quality and alleviate insomnia continue to rise. Accordingly, it is necessary to explore natural plants rich in sleep-modulating bioactive substances. Ziziphi spinosae semen (ZSS), the dried mature seed of Ziziphus jujuba Mill., is a well-known medicinal and edible material with sedative and hypnotic effects. It can be processed into various food products and serves as raw material for pharmaceuticals and cosmetics. The chemical constituents of ZSS, including fatty oils, saponins, and flavonoids, contribute to its sedative, anxiolytic, antidepressant, and anti-inflammatory activities. Therefore, ZSS boasts promising application prospects in the medicinal and food industries. METHODS:Relevant literature was retrieved from Google Scholar, PubMed, and Web of Science. Data about chemical constituents, pharmacological effects, and product development of ZSS were systematically collected and analyzed. RESULTS:This review summarizes the chemical compositions and pharmacological activities of ZSS, and presents the latest progress in its product application. CONCLUSIONS:ZSS possesses abundant bioactive compounds and exerts prominent pharmacological activities. It holds great value in chronic disease prevention and treatment, and has been developed into various functional products. Further research is required to realize intensive and rational utilization of ZSS resources.
INTRODUCTION:Chemical profiling and exposure of multicomponent Chinese medicine formula (CMF) are essential for understanding the multitarget treatment mechanism, as they consist of bioactive substances with varying polarities, molecular weights, and charges. However, the chemical composition of CMF is highly intricate, primarily due to the presence of multiple herbs, rendering chemical identification a challenging task. OBJECTIVE:Jiangtang Tiaozhi formula (JTTZ), commonly used for early diabetes intervention, was chosen to validate our standardized analytical strategy integrating offline three - dimensional (3D) chromatography-DDA (data-dependent acquisition) with a precursor ion list (PIL)-comparative pharmacokinetic study. MATERIALS AND METHODS:We have implemented an offline 3D chromatography coupled with data-dependent MS2 acquisition, including PIL, to obtain comprehensive compound information within JTTZ. We then utilized the MRM quantification approach to determine the pharmacokinetics of the 13 major circulating constituents identified in JTTZ. Finally, the variations in pharmacokinetic parameters between high-fat diet (HFD) and normal chow diet (NCD) rat models are further illustrated by comparative pharmacokinetics. RESULT:Using an offline 3D chromatography platform, 186 compounds were identified in JTTZ, as opposed to the 68 compounds detected with classical one-dimensional (1D) LC-MS technology. Through the chemical profiling results of the multidimensional chromatography, we found 41 components of JTTZ absorbed in plasma. We then utilized the MRM quantification approach to determine the pharmacokinetics of the 13 major circulating constituents identified in JTTZ. Finally, the variations in pharmacokinetic parameters between HFD and normal chow diet (NCD) rat models are further illustrated by comparative pharmacokinetics. In the HFD group, the T1/2 values of epiberberine were higher than those in the NCD group. CONCLUSION:The results show that the pathological state caused by a HFD changed the plasma pharmacokinetics of jatrorrhizine, mangiferin, and timosaponin BII in JTTZ, providing drug exposure evidence for the involvement of JTTZ in early diabetes intervention. The stepwise pipeline for the "offline 3D chromatography-DDA acquisition method with PIL-comparative pharmacokinetic study" in the case study of JTTZ has the potential to reveal the exposure profile of other CMFs, from compound identification to pharmacokinetic analysis.
Background As one of the traditional Chinese medicines, Eucommiae Cortex (EC) was often prepared with salt in the clinic to enhance its efficacy. However, its processing degree had always been judged by "experience," and the quality of EC decoction pieces after processing could not be accurately controlled.Objectives This study aims to establish a qualitative model and a quantitative model in the salting process of EC, which could quickly determine its processing degree and internal quality.Materials and Methods First, determine the chromaticity values and the contents of geniposidic acid, chlorogenic acid, geniposide, pinoresinol diglucoside, and hyperoside in 123 batches of differently processed EC, and analyze their correlations. The results showed that the chromaticity values had different degrees of correlation with the components. The orthogonal partial least squares discriminant analysis (OPLS-DA) method was used to establish the chromaticity qualitative discriminant model and the near-infrared (NIR) qualitative discriminant model. The two qualitative models well distinguished the samples of four categories: raw EC, processing less, salt eucommia, processing too much, and the model verification results were good. Finally, an NIR quantitative model was established by using the partial least squares (PLS) method, combined with chroma value, content, and NIR spectroscopy.Results There were different degrees of correlation between the chromaticity values and the components. The qualitative and quantitative discriminant models established were good enough to distinguish the four types of samples: raw eucommia, insufficient processing, salt eucommia, and excessive processing, and the model verification results were good.Conclusions The intrinsic characteristic component content and chroma value of EC in the salting process could be predicted simultaneously by the model, which provided a rapid determination method for the quality control of EC in the processing process.
BACKGROUND:Bupleuri Radix (BR) and Rhei Radix et Rhizoma (RR) are commonly used in combination in traditional Chinese medicine, yet the chemical basis of their compatibility and the liver-exposed constituents after oral administration remain unclear. OBJECTIVE:To systematically characterize the chemical constituents of the Bupleuri Radix-Rhei Radix et Rhizoma (BR-RR) aqueous extract and to investigate the exposed prototype components and metabolites in mouse liver after oral administration. METHODS:UPLC-Q-Orbitrap-MS was employed to comprehensively analyze the chemical constituents of the BR-RR aqueous extract and the liver-exposed components in mice after gavage administration. Compound identification was performed by integrating retention times, accurate molecular weights, and multistage MS fragmentation data. RESULTS:A total of 109 compounds were tentatively identified in the BR-RR aqueous extract, including anthraquinones, saponins, flavonoids, phenols, and organic acids. In mouse liver samples, 25 prototype components and 21 metabolites were tentatively characterized after oral administration, among which anthraquinones were the predominant chemical class. These findings revealed the major in vivo exposed constituents and metabolic characteristics of the BR-RR extract in the liver. CONCLUSIONS:This study systematically characterized the chemical constituents of the BR-RR aqueous extract and elucidated its liver exposure profile in mice. The findings provide an overall view of the in vivo exposure and metabolic characteristics of the extract and offer useful reference information for quality evaluation and further investigation of its material basis.
BACKGROUND:Anisomeles indica (Lamiaceae) is a traditional medicinal plant widely used in the treatment of inflammatory and systemic disorders. Increasing evidence suggests that it represents a rich source of bioactive natural products with broad pharmacological potential. AIMS:This review aims to systematically summarize the phytochemistry, pharmacological activities, safety profiles, and recent advances in drug discovery of Anisomeles indica, with a particular focus on its major diterpenoid constituent, ovatodiolide (OVA). MATERIALS AND METHODS:A comprehensive literature search was conducted across multiple databases, including PubMed, Web of Science, Scopus, and CNKI, covering studies related to ethnopharmacology, phytochemistry, pharmacology, toxicology, and pharmacokinetics of Anisomeles indica and its constituents. RESULTS:Phytochemical studies have identified diverse constituents, particularly macrocyclic diterpenoids such as OVA, which exhibit extensive biological activities including anti-inflammatory, anti-cancer, antiviral, antibacterial, antioxidant, and immunomodulatory effects. Mechanistically, these effects involve key signaling pathways such as NF-κB, STAT3, PI3K/Akt/mTOR, β-catenin, and TGF-β signaling. Despite promising bioactivities, OVA is limited by rapid clearance and poor oral bioavailability. To overcome these limitations, medicinal chemistry efforts have led to the development of optimized derivatives, such as NMP-diepoxyovatodiolide and ACT004, which demonstrate improved pharmacokinetics, enhanced safety, and robust efficacy in preclinical models. DISCUSSION:The pharmacological diversity of Anisomeles indica arises from its complex chemical composition and multi-target mechanisms. However, challenges remain, including variability in extract composition, insufficient clinical validation, and suboptimal pharmacokinetic properties of key compounds. CONCLUSION:Anisomeles indica represents a promising source of multifunctional therapeutic agents. Continued efforts in standardization, mechanistic validation, and clinical translation, together with the development of pharmacokinetically optimized derivatives, are essential to fully realize its potential as a platform for next-generation drug discovery.
Background The incidence of metabolic dysfunction-associated steatotic liver disease (MASLD) is rising steadily. Clinically, the Qigui Jiangzhi Formula (QGJZF) has been proven to be capable of effectively improving the conditions of patients with hyperlipidemia and those with metabolic-associated fatty liver disease by regulating the pathways of glucose and lipid metabolism.Purpose This study aims to establish a strategy based on multidimensional phenotypic characteristics to screen for active compounds in QGJZF that can improve abnormal glucose and lipid metabolism.Methods A multidimensional phenotypic method for liver cells based on high-content imaging has been developed. This method can correlate biological processes with morphological data, such as glucose metabolism, lipid metabolism, energy metabolism, and oxidative stress in MASLD. The chemical-phenotypic correlation analysis has identified the active compounds in QGJZF by activity score and cluster score. These scores were obtained by combining the mass spectrometry ion data of each fraction of QGJZF with the multidimensional phenotypic data. The data of active compounds were combined with network pharmacology for analysis, thereby elucidating the mechanism of QGJZF in improving MASLD.Results Among the 199 cell phenotypic parameters obtained by multidimensional phenotypic method, 99, 51, 131, and 76 were respectively associated with glucose metabolism disorders, lipid metabolism disorders, energy metabolism disorders, and oxidative stress in MASLD. Subsequently, 23 active compounds were identified in QGJZF that improve glucose metabolism homeostasis, ameliorate lipid metabolism disorders, restore energy metabolism balance, and alleviate oxidative damage. The combined analysis of active compounds and network pharmacology results indicates that their mechanism of action may involve the AGE-RAGE, MASLD-related, AMPK, and HIF-1 signaling pathways.Conclusions This study overcame the limitations of single-indicator screening methods for MASLD by proposing a multidimensional phenotypic method. Using this method, the active compounds in QGJZF and the key pathways through which they improve MASLD were identified.
Primary brain tumors are life-threatening diseases. Glioblastoma is the most aggressive type with a poor prognosis. Medulloblastoma is the most common pediatric brain tumor. While surgical treatments often result in recurrences owing to the complex nature of the tumor microenvironment, conventional treatments lower the quality of life of patients by causing serious side effects. Therefore, cutting-edge therapies are required to alleviate patients' burden. Phytochemicals such as curcumin, quercetin, berberine, and resveratrol have been shown as potential therapeutic agents by demonstrating anticancer activity, including the inhibition of cell migration and proliferation, and the induction of apoptosis. This review summarizes the pharmacokinetic and cellular effects of phytochemicals that can be utilized in the treatment of medulloblastoma and glioblastoma by targeting cellular pathways associated with the progression of these diseases. Additionally, the synergistic relationships of these phytochemicals with traditional drugs and the emerging studies that utilize nanotechnology to ensure effective delivery of phytochemicals are covered in this review.
INTRODUCTION:Traditional Chinese medicine (TCM) comprises complex matrices with largely unidentified constituents, which has resulted in clinical insecurity and difficulty in quality control. Substantial efforts have been made to screen drug combinations to replace TCM formulas; however, these methods fail to consider biotransformation among phytochemicals. OBJECTIVE:A "biomimetic extracted substances (BESs)" based strategy was proposed-which fully considers in vivo processes-to identify anti-chronic obstructive pulmonary disease (COPD) combinations from Bufei Yishen formula (BYF). METHODS:BES of each BYF ingredient was prepared via sequential coculture with artificial gastric juice, intestinal fluid, intestinal flora, and liver S9, with the compositions identified by UHPLC-Q Exactive MS. Cytotoxicity and effects on IL-6 secretion were analyzed in LPS-induced macrophages to compare BYF ingredients and their BESs, screening for optimal anti-COPD combinations. Therapeutic effects were evaluated in a smoking-induced rat COPD model. RESULTS:Twenty-six metabolites were identified in the BESs of five BYF ingredients from different metabolic sites. Bionic extraction reduced cytotoxicity and changed the anti-inflammatory efficacy of BYF ingredients. Based on BES activity, nobiletin and icariin showed the highest anti-inflammatory activity. In the COPD model, their combination significantly alleviated lung injury and inflammatory responses. Combined with metabolic analysis, the efficacy of nobiletin may be attributed to its prototype component, whereas icariin may be attributed to its deglycosylated metabolites. CONCLUSION:BESs more closely mimics the cytotoxicity and bioactivity of TCM after metabolism. Screening based on BES thus improves consistency between in vitro and in vivo results. Using this strategy, nobiletin and icariin were identified as a potentially effective combination within BYF for alleviating COPD.
BACKGROUND:Hypoxia is a core pathological factor in myocardial injury and is involved in the development of various cardiovascular diseases. Although baicalein shows cardiovascular protective potential, its mechanism against hypoxic injury remains unclear. METHODS:H9c2 cardiomyocytes were exposed to sodium sulfite to establish a chemical hypoxia model. Network pharmacology, molecular docking, molecular dynamics simulation, and molecular biology assays were employed to predict the core target and investigate the underlying mechanism. RESULTS:Network pharmacology identified ESR1 as a core target, with stable binding to baicalein confirmed by molecular docking and dynamics simulations. Baicalein alleviated hypoxia-induced oxidative stress by elevating key antioxidant markers and reducing malondialdehyde levels. It also ameliorated energy metabolism disorders, reduced lactate dehydrogenase release, suppressed reactive oxygen species production, and decreased cell apoptosis. Furthermore, baicalein upregulated hypoxia-suppressed ESR1 protein expression and enhanced its co‑localization with the antiapoptotic protein BCL-XL. The cytoprotective effects were abolished by the ESR1 inhibitor fulvestrant. CONCLUSION:These findings demonstrate that baicalein protects cardiomyocytes against hypoxic injury through an ESR1‑dependent mechanism by modulating the BCL‑XL/BAX apoptotic balance, mitigating oxidative stress, and improving energy metabolism.
INTRODUCTION:Phosphodiesterase (PDE) inhibitors are important therapeutic targets. There is a need for rapid and efficient screening methods to identify novel PDE inhibitors from complex natural product extracts. OBJECTIVE:This study aimed to develop an integrated thin-layer chromatography-bioautography (TLC-B) platform for the rapid screening and visual localization of PDE inhibitors in plant-derived samples. MATERIAL AND METHODS:Eighteen candidate substrates were synthesized and evaluated. Thymidine 5'-monophosphate-α-naphthyl ester was selected as the optimal enzymatic substrate via HPLC-UV analysis, with Solid Violet B as the chromogenic agent. A four-step TLC-B protocol was established involving separation, sequential spraying of enzyme/substrate solutions, incubation (45°C, 40 min), and visualization. The method was validated using vincristine as a control. RESULTS:The validated method showed high sensitivity, detecting vincristine at 6.25 μg/spot as distinct white inhibition zones against a pink background. Application to an ethyl acetate extract of Lilium pumilum endophyte Z-SDBHTR-4 successfully localized the following three bioactive compounds: curvulinic acid (T1), O-methylcurvulinic acid (T2), and methyl curvulinate (T3). CONCLUSION:The developed TLC-B platform effectively combines chromatographic separation with bioactivity mapping, creating a streamlined workflow for the discovery of natural product-based enzyme inhibitors. It demonstrates significant potential for accelerating pharmaceutical development.
INTRODUCTION:The taxonomic boundary between Mahonia and Berberis has long been controversial. Mahonia bealei (Fort.) Carr. (MB) and Mahonia fortunei (Lindl.) Fedde (MF) are representative species of Mahonia, while Berberis soulieana Schneid. (BS) represents Berberis. These three plants are often confused in practical medicinal use. OBJECTIVE:This study aims to elucidate the diagnostic characteristics and taxonomic relationships among MB, MF, and BS. It seeks to provide a potential basis for generic realignment. METHODOLOGY:Their structural differences were compared based on macro-morphological features of leaves and microscopic characteristics of roots. Qualitative and quantitative analyses of the chemical components in the three samples were carried out using HPLC-QTOF-MS/MS, followed by a comparison of their chemical fingerprints and the content of major components. Based on multiple DNA barcoding, interspecific genetic distances were calculated and RNA secondary structures were predicted. RESULTS:The differences in the root transverse sections provided a basis for distinguishing the three samples. A total of 67 compounds were identified using HPLC-QTOF-MS/MS, with 24 of these being common to all three samples. While their chemical fingerprints were highly similar, berberine content served as a key differentiating marker. Among DNA barcodes, PsbA3 exhibited the highest sequence variation and largest inter-species genetic distance. These properties made it the optimal barcode for discrimination. Notably, its secondary structure was relatively conserved, exhibiting a unique phenomenon of highly variable sequences with conserved structures. CONCLUSION:Although several diagnostic features were identified, the marked chemical similarities, conserved DNA barcodes, and shared microscopic characteristics provided novel insights into the taxonomic relationship between the genera Mahonia and Berberis.
INTRODUCTION:Drying is a thermodynamic process involving moisture phase transition and migration, crucial for extending the shelf life of traditional Chinese medicinal materials and reducing postharvest degradation. Eriobotryae folium (EF), the dried leaf of Eriobotrya japonica (Thunb.) Lindl. (Rosaceae), is valued for its medicinal and functional food applications. The retention of its bioactive compounds is strongly influenced by drying methods. OBJECTIVES:In this study, the effects of shade drying, hot air-drying (50°C, 75°C, 100°C), microwave drying, and vacuum freeze-drying on the chemical composition and antioxidant activity of EF were systematically evaluated. MATERIALS AND METHODS:Using fingerprint profiling and multivariate statistical analysis, chlorogenic acid, cryptochlorogenic acid, and neochlorogenic acid (CGAs) were identified as key differential components. Spectrum-effect relationship analysis, based on Pearson product-moment correlation analysis (PPMC) and gray relational analysis (GRA), confirmed these three compounds as not only distinguishing markers under different drying conditions but also major bioactive constituents contributing to EF's therapeutic effects. Thus, they are proposed as potential quality markers. A reliable quantitative method was developed for their determination, combined with final moisture content and visual assessment of appearance, to analyze which drying method yielded samples with the best overall quality. RESULTS:CGAs were confirmed as key differential components. Spectrum-effect relationship analysis confirmed these three compounds as distinguishing markers and major bioactive constituents. Microwave-dried samples exhibited the best overall quality. CONCLUSION:This study established an integrated evaluation system-"fingerprint profiling-spectrum-effect correlation-targeted component quantification"-providing a practical and scientific approach for EF quality control and offering a reference for standardizing processing of leaf-derived herbal medicines.
INTRODUCTION:Eucommia ulmoides biomass is a natural composite comprising E. ulmoides lignocellulose (LC) and E. ulmoides gum (EUG). However, the full utilization of this composite system is hindered by its structural complexity. OBJECTIVES:The aim of this study was to identify an optimal acidic deep eutectic solvent (DES) system for the selective deconstruction of the lignocellulose/E. ulmoides gum (LC/EUG) composite and to unlock the application potential of this natural composite. METHODS:E. ulmoides Oliver pericarp (EUP) was used as a feedstock in this study, and the composition and structure alterations induced in the LC/EUG system by pretreatment with six acidic choline chloride-based DES formulations were systematically evaluated. RESULTS:Under optimized conditions (ChCl/oxalic acid, solid-to-liquid ratio 1:35, molar ratio 1:2, 110°C, 3 h), delignification and hemicellulose removal reached 88.72% and 85.46%, respectively, with more than 90% cellulose retention. Moreover, the relative content of EUG in the solid substrate increased from 11.81% to 21.26%. The DES still maintained an efficiency of over 70% in removing hemicellulose and lignin even after five recycling cycles, which highlights its good sustainability. In addition, DES pretreatment led to an increase in the crystallinity index (CrI) of cellulose from 56.68% to 63.35%, disruption of the lignin-hemicellulose matrix, and the formation of a highly porous, cellulose-rich surface. The extracted lignin featured low condensation and a high specific surface area, rendering it suitable for synthesizing high-value-added materials and chemicals. CONCLUSION:This work provides insights into targeted modulation of natural polymer composites in biomass and offers references for green solvents in E. ulmoides valorization.
INTRODUCTION:This study enhances the quality control (QC) system essential for the modernization and global acceptance of herbal medicines (HMs). OBJECTIVES:This review systematically explores the transformative integration of modern analytical technologies (e.g., IR, MS, and NMR) with machine learning (ML) for advancing HMs QC. Focusing on research from the past 10 years, we highlight groundbreaking applications in three pivotal areas: geographical origin tracing, adulteration detection, and species identification of HMs. METHODS:A comprehensive review of the literature from the past 10 years was conducted, focusing on geographical origin tracing, adulteration detection, and species identification of HMs. RESULTS:Providing a structured overview of analytical technologies and ML algorithmic principles demonstrates how ML models decode complex, high-dimensional chemical data to establish predictive and holistic quality assessment frameworks that transcend the limitations of single-marker analysis. CONCLUSION:This synthesis maps the current research landscape and is a foundational reference for guiding future efforts toward standardized, data-driven, and intelligent quality assurance in HMs.
PURPOSE:To research the therapeutic effect and compatibility mechanism of Astragali Radix-Safflower (ARSA) main effective parts in cerebral ischemia/reperfusion injury (CI/RI), especially pharmacokinetics and pharmacodynamics study. METHOD:Nine formulas of three main effective parts (total flavonoids of Astragali Radix, total saponins of Astragali Radix and safflower yellow pigment) of ARSA were formulated according to L9 (34) orthogonal design. The sample collection was performed via blood-brain dual-channel microdialysis, combined with LC-MS/MS to quantify six components (hydroxysafflor yellow A, astragaloside IV, calycosin-7-O-β-D-glucopyranoside, ononin, calycosin, and formononetin) of ARSA and five neurotransmitters (aspartic acid, 5-hydroxytryptamine, γ-aminobutyric acid, dopamine, and glutamate) associated with CI/RI. The entropy weight method and the partial least square method were applied to analyze data. RESULTS:The best compatibility prescription of the main effective parts of ARSA was total flavonoids of Astragali Radix 600 mg/kg, total saponins of Astragali Radix 140 mg/kg, and safflower yellow pigment 840 mg/kg, which had a better therapeutic effect and the largest total area under the curve than other formulas. Undergoing CI/RI, glutamate was primarily regulated among the five neurotransmitters, and the components with the greater impact on neurotransmitter modulation were hydroxysafflor yellow A and astragaloside IV. CONCLUSION:The different compatibility of effective parts of traditional Chinese medicine would influence the pharmacokinetics parameters of each active component in CI/RI rats. Orthogonal compatibility and total statistical moment method provided a way to find the best compatibility. This study provided a pattern for the exploration of traditional Chinese medicine compatibility.
INTRODUCTION:Salt stress represents a critical abiotic constraint affecting the growth of medicinal plants and secondary metabolite biosynthesis. While glycosylation plays an established role in plant stress adaptation mechanisms, the specific functional contributions of uridine diphosphate glycosyltransferases (UGTs) to salt stress responses remain insufficiently characterized. Cynaroside (luteolin 7-O-glucoside) is a pharmaceutically valuable flavone glycoside demonstrating enhanced accumulation under saline conditions, and the coordinated upregulation of UGTs in salt-stressed Lonicerae Japonicae Flos (LJF) prompted an investigation into specific glycosyltransferases mediating this stress-induced metabolic response. OBJECTIVE:This study aims to identify and functionally characterize the UGTs involved in the biosynthesis of cynaroside in LJF under salt stress. METHODS:The transcriptomes and metabolomes of LJF under salt stress were comprehensively analyzed to identify candidate UGTs. Then, heterologous expression in Escherichia coli, protein purification technology, enzyme catalysis experiments, and molecular docking were conducted to further verify its catalytic activity. RESULTS:A novel glycosyltransferase was identified from LJF. Functional characterization demonstrated the recombinant enzyme's capacity to catalyze luteolin glycosylation, producing cynaroside through regioselective glucose conjugation. Molecular docking simulations revealed stable binding of luteolin to Lj7OGT3's conserved PSPG motif (plant secondary product glycosyltransferase signature domain), providing structural insights into its catalytic mechanism. CONCLUSION:This study identified the role of Lj7OGT3 in enhancing cynaroside production under salt stress, which further deepened our understanding of stress-responsive secondary metabolism. Simultaneously, expanding the database of plant functional glycosyltransferases. These findings provide a biochemical foundation for engineering stress-resilient medicinal plants and developing biotechnological platforms for optimized production of bioactive glycosides.
