This study explored the metabolic differences between roots and stems of Berchemia lineata, as well as the material basis and mechanism of its antipyretic and anti-inflammatory properties. Untargeted metabolomics identified 94 compounds and 12 differential metabolites, with anthraquinones abundant in roots and flavonoids dominant in stems. Combined with network pharmacology and molecular docking, key active ingredients were found to target TNF-α, IL-6 and other core genes via the PI3K-Akt pathway. Except for lyoniresinol, most active compounds exhibited good target binding activity. LPS-induced mouse experiments further validated the herb's efficacy in lowering fever and suppressing pro-inflammatory cytokines. This research elucidates the chemical disparities among different parts of Berchemia lineata and reveals its multi-component, multi-target antipyretic and anti-inflammatory mechanism, offering references for its rational development and clinical application.

Plants of the genus Curcuma are vital medicinal resources; however, their highly similar chemical profiles and morphological features present substantial challenges for accurate species authentication. Here, we established a comprehensive analytical strategy for the precise differentiation of eight medicinal Curcuma species and one counterfeit by integrating untargeted gas chromatography-mass spectrometry (GC-MS) profiling with rapid in situ portable mass spectrometry (PMS) and machine learning. GC-MS analysis tentatively identified ten predominant volatile components, whose potential biological targets and signaling pathways were elucidated via network pharmacology. Chemometric analysis of GC-MS metabolic profiles further enabled the screening of core differential markers driving species discrimination. For rapid on-site detection, in situ PMS fingerprints were acquired and processed using a characteristic ion-based binarization strategy following base peak normalization. When coupled with advanced machine learning algorithms, particularly Ensemble and Efficient Linear classifiers, the system achieved 100% classification accuracy with high computational efficiency. Together, this dual-platform approach provides an effective, and broadly applicable method for quality control and rapid authentication of multi-origin traditional medicines.

Wenjing Decoction, a traditional Chinese medicine known for its blood-regulating effects, is primarily used to treat gynecological disorders in women. Despite its widespread clinical use, there remain gaps in the quality control of Wenjing Decoction, particularly in the comprehensive characterization of its volatile components, which are crucial to its therapeutic efficacy but often overlooked in conventional analyses. To address this issue and provide a more thorough chemical profile of Wenjing Decoction, we applied two complementary analytical methods: offline two-dimensional liquid chromatography coupled with high-resolution mass spectrometry (LCHRMS) and gas chromatography-mass spectrometry (GC-MS). Using LC-HRMS, we successfully characterized 401 non-volatile compounds, which were classified into terpenoids, flavonoids, organic acids, phenylpropanoids, and lactones. GC-MS analysis identified 129 volatile components, including sesquiterpenoids, monoterpenoids, alcohols, and esters. These findings fill a critical gap in the systematic characterization of volatile components in Wenjing Decoction and provide a comprehensive chemical profiling approach for complex traditional Chinese medicine formulations. The results not only support the identification of potential quality control markers but also contribute to the standardization and quality assurance of Wenjing Decoction in clinical practice.

Background : Mycotoxins are toxic secondary metabolites of toxigenic fungi, posing a significant threat to human health due to their widespread contamination in edible and medicinal plants (EMPs) and synergistic toxicity. Purpose : This study aims to design a collaborative multi-technology integration strategy for mycotoxin risk assessment and early warning in EMPs. Method : Ultra-performance liquid chromatography-triple quadrupole linear ion trap mass spectrometry (UPLC-Q-TRAP-MS) was used for the quantitative analysis of 19 mycotoxins in four EMPs, and probabilistic Monte Carlo simulation (MCS) was employed to quantify their dietary exposure risk. Then, single-molecule real-time (SMRT) sequencing was applied to identify toxigenic fungi in the four EMPs. Given the high contamination rates and potential risks of aflatoxin B1 (AFB1) and zearalenone (ZEN) in Coicis semen, as well as ochratoxin A (OTA) and sterigmatocystin (ST) in Lilii bulbus, near-infrared spectroscopy (NIRS) combined with machine learning was utilized for the rapid and non-destructive screening of these mycotoxins. Results : Among 259 batches, 240 (92.66 %) tested positive for at least one mycotoxin. Probabilistic risk assessments highlighted AFB1, ST, alternariol monomethyl ether (AME), and ZEN as priority controls due to public health risks. Moreover, SMRT sequencing not only identified Aspergillus, Fusarium, and Alternaria as the main toxigenic fungi but also revealed a potential association between the abundance of these toxigenic fungi and their secondary metabolites (mycotoxins). After evaluating ten machine learning models, k-nearest neighbor (KNN) and support vector machine (SVM) exhibited excellent performance in low- and high-risk classification, with the test set achieving 100 % classification accuracy for these target mycotoxins. Independent external validation confirmed the models’ good applicability, ZEN in Coicis semen reached 90 % predictive accuracy, while that of AFB1 in Coicis semen, OTA and ST in Lilii bulbus all reached 100 %. Conclusion : This study offers valuable insights for EMP mycotoxin risk management and early warning to safeguard public health.

Abstract The Pharmacopoeia of the People’s Republic of China (ChP) is the official compendium of drug standards issued by the Chinese government. Volume I, dedicated to traditional Chinese medicines (TCMs), serves as an authoritative standard for their production, testing, clinical application, and regulatory oversight. The ChP is updated every 5 years, and the current 2025 edition was officially implemented on October 1, 2025. Compared with the 2020 edition, the 2025 revision introduces substantial updates. This review summarizes the major additions and revisions to Volume I of the 2025 ChP across three sections: General Notices ; General Technical Requirements and Guidelines related to TCMs; and Monographs . Relative to the previous edition, the General Notices have undergone seven revisions. In the General Technical Requirements and Guidelines , three new items have been added, and five have been revised, with particular emphasis on strengthening safety controls for exogenous harmful substances, including pesticide residues, heavy metals and harmful elements, and mycotoxins. Regarding the Monographs , Volume I now includes 28 new entries, removes 19 previously listed entries, and revises 420 entries. The major updates involve refinements to fingerprint or characteristic chromatograms, assay methods, and test items. Collectively, the 2025 revision emphasizes enhanced safety requirements and improved standards for crude drugs and prepared slices, thereby strengthening the overall quality assurance framework for TCMs. This review aims to facilitate accurate interpretation and effective implementation of the 2025 edition of Volume I of the ChP.

This study established a multi-dimensional analytical strategy combining UHPLC-Q-TOF/MS, untargeted metabolomics, network pharmacology and molecular docking to systematically explore potential bioactive markers and related metabolic pathways of Clerodendrum plants. Three dominant Clerodendrum species, namely Clerodendrum philippinum var. simplex, Clerodendrum philippinum and Clerodendrum lindleyi, were analyzed using their roots and stems. This work aimed to clarify the scientific evidence supporting their rational medicinal use and efficient resource exploitation. A total of 95 metabolites were annotated via UHPLC-Q-TOF/MS, mainly consisting of phenylethanoid glycosides, diterpenoids and flavonoids. Multivariate statistical analysis screened out 18 differential characteristic compounds capable of differentiating plant species and parts. Notably, such variations were mainly reflected in content levels, while their core chemical skeletons kept highly consistent. Eleven candidate bioactive ingredients were excavated by network pharmacology, and molecular docking verification confirmed that these ingredients exhibited favorable binding activities against core targets PIK3CA and AKT1. The highly consistent chemical profiles and predicted therapeutic pathways solidly support the feasibility of developing and applying the three Clerodendrum species as homologous medicinal materials. Collectively, this study provides fundamental experimental evidence for quality standard formulation and rational development of multi-origin Clerodendrum medicinal herbs, especially for their clinical application in prescriptions including Shiqi Waigan Granules.

Two new naphthopyrones, berchelineatones A and B (1 and 2), together with a new prenylisoflavone (3), were isolated from Berchemia lineata. Their structures were primarily determined by high-resolution mass spectrometry, NMR spectroscopy, and X-ray crystallographic data analysis. Notably, compounds 1 and 2 exhibited potent inhibition on nitric oxide (NO) production induced by lipopolysaccharide (LPS) in RAW264.7 macrophages, with IC50 values of 2.52 and 2.06 mu M, respectively.

The Chrysanthemum genus comprises six predominant varieties (Chuju, Boju, Gongju, Hangju, Huaiju, Jinsihuangju). However, their highly similar morphological and chemical characteristics make accurate discrimination challenging. To address this, a 'Precise-Practical-Rapid' integrated strategy for origin discrimination was developed, incorporating LCHRMS metabolomics (precise), polyphenol-specific HPLC fingerprinting and quantitative analysis (practical), and direct-infusion mass spectrometry and infrared spectroscopy methods (rapid). LC-QTOF MS-based metabolomics identified 221 compounds across six varieties, successfully distinguished all geographical origins, and revealed 13 key discriminatory markers. HPLC-based polyphenol-specific fingerprints and quantitative profiles achieved clear origin clustering, with a minimal four-marker panel (luteolin, rutin, 3-caffeoylquinic acid [3-CQA], and 5-CQA) retaining full discriminatory power. DI-QDa MS and FT‑IR spectroscopy enabled rapid (2 min per sample) high-throughput screening, with t‑SNE, PLS‑DA, and hierarchical cluster analysis achieving successful discrimination. Collectively, these platforms provided complementary resolution tiers: LC-QTOF MS for discovery and traceability in complex matrices, HPLC for routine quality control with reference-standard quantification, and DI-QDa or FT‑IR for on-site screening. This multi-platform comparison establishes a practical decision framework for Chrysanthemum authentication and offers a transferable pipeline for origin verification of other botanicals.

The liver and kidneys are often synchronously affected by various diseases, posing significant health challenges. Simultaneously monitoring their damage would benefit rational drug use. Herein, a new probe, SQE-715-CD, was developed to concurrently assess liver and kidney injuries using in vivo NIR-II fluorescence imaging. In addition to diagnostic advancements, this research delves into the therapeutic potential of flavonoids in protecting against liver and kidney damage caused by cisplatin. Among the seven flavonoids tested, Apigenin stands out for its substantial reduction in cisplatin-induced toxicity in both organs. Further experiments reveal that Apigenin's pretreatment lowers kidney inflammation and inhibits the activation of crucial signaling molecules p38, ERK, and JNK. These results suggest a possible mechanism behind Apigenin's protective effects and underscore its significance in reducing nephrotoxicity. The capability for in vivo simultaneous monitoring of liver and kidney functions proposed in this study could provide another therapeutic drug evaluation and screening method.

Background For traditional Chinese medicines (TCMs) whose toxicity and efficacy are primarily mediated by proteins rather than small molecules, conventional metabolite-based markers are often insufficient for authenticating multiple processed forms. In such cases, processing-induced degradation of toxic proteins may generate stable and process-specific peptide fingerprints that provide more direct authentication markers. Using Pinelliae Rhizoma (PR, raw form Sheng Banxia, SBX) and its three processed products (QBX, JBX, FBX) as a case study, this study investigates how different processing factors reshape the degradation landscape of toxic proteins and leverages the resulting peptide fingerprints to establish a mechanism-informed authentication strategy for protein-rich medicinal plants. Methods A mechanism-informed peptidomics workflow was designed, integrating (1) label‑free proteomic profiling of SBX and processed products by SDS‑PAGE and HPLC‑LTQ‑Orbitrap MS; (2) targeted peptidomics screening and validation of processing‑specific peptide signatures using Python program and LC‑QqQ MS; and (3) application of robust peptide markers to assess 38 batches of herbal slices and 16 commercial formulations. Results Major protein bands nearly disappeared after processing, with heat‑alum co‑treatment exerting the most pronounced effect on lectin degradation. Seven common peptides and 12 processing-specific peptides derived from toxic lectin degradation were identified, enabling reliable discrimination of SBX, QBX, JBX and FBX. These markers were successfully transferred to a routine HPLC‑QqQ MS platform. Market analysis showed that 78% of herbal slices were authentic, whereas only 50% of complex formulations contained the labelled PR type. Conclusion This study demonstrates that processing-induced remodeling of toxic proteins generates reproducible peptide fingerprints that can serve as practical authentication markers for processed PR products. By leveraging both common and characteristic peptides derived from toxic proteins, the proposed peptidomics strategy enables reliable authentication of PR from raw materials to commercial preparations and provides a mechanism-informed basis for quality control of protein-rich TCMs.

BACKGROUND:The intricate herbal diversity and chemical complexity inherent in TCM compound formulas necessitate advanced authentication strategies to overcome long-standing quality control challenges. Current research in this field remains exploratory. METHODS:This study proposes a novel strategy for authenticating the herbal composition of TCM compound formulas using digitized ion-pair fingerprints (DIPF) to achieve accurate identification of constituent herbs. We selected 100 TCM compound formulas comprising 147 distinct herbs. A standardized Python-based procedure was developed to automatically acquire DIPF, establishing a comprehensive fingerprint database for all 147 herbs. Using these herbal fingerprints as reference standards, the 100 TCM compound formulas were authenticated by calculating the Matching Credibility (MC) for each constituent herb. Herbal composition was determined based on an MC thresholds. RESULTS:This study systematically established a high-throughput, DIPF strategy for authenticating both individual herbs and complex TCM compound formulas. By integrating UPLC-Q-TOF/MS and UPLC-Q-TRAP/MS platforms, we developed universal acquisition methods, constructed a robust database containing 147 herbs, and validated its application in identifying 100 classic formulas. Among the 100 TCM compound formulas analyzed (total herb constituent occurrences: 653), all MC values exceeded 90%. CONCLUSIONS:This approach proved efficient and feasible for the rapid identification of herbal constituents within complex formulas. The DIPF methodology provides a core framework for constructing digital quality control systems for TCM, representing a strategic pathway toward modernized pharmaceutical standardization.

Objective To investigate the chemical constituents of Shiqi Waigan Granules and their metabolic distribution in rats. Methods An off-line two-dimensional liquid chromatography-mass spectrometry approach was employed to identify the constituents of Shiqi Waigan Granules. A UPLC-QTOF-MS method was established to analyze the distribution of prototype compounds and metabolites in rat plasma, heart, liver, lung, kidney, spleen and brain after oral administration, and to elucidate the metabolic pathways. Results (1) A total of 315 compounds were successfully identified in Shiqi Waigan Granules. Compared with conventional one-dimensional LC, the off-line 2D system amplified trace compounds and resolved more isomers, enabling a more systematic and refined characterization of the chemical profile. (2) Based on plasma pharmacochemistry and Phase I and II metabolic pathways, 66 prototype compounds and 102 metabolites were tentatively identified in rat plasma. (3) Most constituents were detected in liver, kidney, lung and spleen, whereas fewer were found in heart and brain. Conclusion Shiqi Waigan Granules are mainly composed of flavonoids, terpenoids, organic acids, lignans, phenolics, phenylpropanoids and glycosides. In vivo, these constituents primarily undergo hydrolysis, reduction, hydroxylation, carboxylation, sulfation, glucuronidation and composite reactions, and are widely distributed as either prototype compounds or their Phase I/II metabolites.

UVB radiation, a major environmental carcinogen, induces cyclobutane pyrimidine dimers and contributes to the development of squamous cell carcinoma. The RNA N6-methyladenosine modification (m6A) plays a critical role in regulating the DNA damage response. This study demonstrates that notoginsenoside R1 (NGR1), a bioactive ginsenoside derived from Panax notoginseng, protects against UVB induced skin sunburn injury. ABCG2 was identified as a key epidermal transporter responsible for the efflux of NGR1 from keratinocytes, revealing a previously unrecognized function of this efflux pump: the capacity to mediate the nonspecific import of NGR1. Mechanistically, NGR1 significantly upregulated WTAP expression, enhanced global m6A levels, and activated the m6A/DDB2 axis, resulting in a substantial reduction in cyclobutane pyrimidine dimers. These findings elucidate a molecular pathway through which NGR1, via ABCG2 mediated transport, mitigates UVB induced DNA damage responses by promoting m6A dependent DNA repair, positioning it as a promising candidate for topical therapeutic intervention. SIGNIFICANCE STATEMENT: Mechanisms by which NGR1 alleviates UVB induced skin sunburn injury via the WTAP/m6A axis and ABCG2 mediated trafficking offer a promising avenue for developing improved epidermal therapeutics for the related skin disorders.

This study introduced PhenolFingerprint DB, a freely accessible online database designed for visualization, management, querying, and evaluation of fingerprint data. Its core functions include chromatographic profile visualization, species authentication through database searching, and automated quantification of 17 phenolic compounds. As a proof of concept, 93 edible flowers and herbs were analyzed. Using 409 built-in samples, we characterized phenolic-content distributions and fingerprint patterns for species discrimination and quality assessment. Quantitative phenolic analysis enabled only partial species differentiation but proved effective for content evaluation. In contrast, phenol-based fingerprints clearly distinguished nearly all species (92 of 93) through hierarchical clustering. The performance of PhenolFingerprint DB was further evaluated. Crossvalidation demonstrated an overall accuracy of 99.8%. When applied to 38 unknowns, the database flagged two cases with mismatches, which were verified as quality issues. PhenolFingerprint DB also allows users to analyze their own data, presenting prospects for broad applications across different fields.

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.

Panax species are prized globally for tonic effects and widely used in health foods and herbal products, yet genus-wide comprehensive chemical profiling remains limited. Here, we present the first comparative chemical analysis encompassing nearly all Panax species distributed in China, totaling ten species. To achieve this, an offline two-dimensional liquid chromatography-mass spectrometry approach applicable across ten species was established, yielding orthogonality A0 values of 0.65-0.78. Using UNIFI-based automated annotation and manual validation, 4080 compounds (397-1016 compounds per species) were identified─representing the largest saponin data set to date. Comparative analysis across ten species revealed distinct chemotypic patterns: five species were dominated by PPD-type, two by PPT-type, and three by OA-type saponins. Saponins bearing two or three glycosyl groups predominated, with ∼20% showing acylation. P. vietnamensis exhibited the most diverse glycosylation and acylation patterns. This study provides a valuable chemical resource for advancing Panax research and authentication.

Ophiocordyceps sinensis (OS) is a rare and highly valued traditional fungal medicine, and comprehensive component analysis is essential for accurate species identification and the discovery of novel bioactive compounds. In this study, we applied a photochemical derivatization-tandem mass spectrometry workflow to profile the lipidome of OS and related medicinal caterpillar fungi, enabling detailed characterization of five phospholipid classes at the subclass, molecular species, and carbon-carbon double bond (C=C) location levels. A total of 185 phospholipid isomers were identified to the C=C location level using this approach. Lipid profiling was performed on wild and cultivated OS, as well as ten related medicinal caterpillar fungal species. Several lipid species were found to be closely associated with the authenticity of OS, serving as potential biomarkers for assessing product provenance and further investigating the bioactivity of these lipids based on their relative abundance.

Plant-derived extracellular vesicles (PDEVs) act as natural nanocarriers, facilitating the cross-kingdom communication by transferring bioactive molecules (including lipids, proteins, nucleic acids, and metabolites) through plants, mammals, and microorganisms. These vesicles show significant promise for therapeutic applications, particularly in drug delivery; however, challenges remain in standardizing isolation protocols, addressing vesicle heterogeneity, and optimizing scalable production and targeted delivery. This review synthesizes current literature on the molecular composition, cross-species communication mechanisms, and biomedical applications of PDEVs, emphasizing their active components and therapeutic potential. In addition, recent advancements in engineering strategies, such as surface functionalization and drug loading, which position PDEVs as sophisticated delivery systems, are discussed. This review highlights the potential of engineered PDEVs in precision medicine, revealing their efficacy in targeted cancer therapy, neurological disorders, and inflammation because of their biocompatibility, low immunogenicity, and multi-target regulatory capacity. Furthermore, while addressing key challenges in clinical translation and industrialization, the transformative potential of PDEVs in nanomedicine is highlighted as a promising alternative for the next-generation drug delivery.

Epigenetic dysregulation drives tumor progression and therapeutic resistance, creating a critical need for targeted modulators. Protopanaxadiol (PPD) type ginsenosides, triterpenoid saponins from Panax ginseng, have emerged as promising natural epigenetic regulators, but their clinical translation is limited by poor bioavailability and context dependent activity. Preclinical and early clinical evidence is synthesized here to elucidate the mechanistic underpinnings and translational potential of these agents.Structurally distinct ginsenosides converge on conserved epigenetic enzyme families with tumor specific isoform selectivity: one ginsenoside modulates DNA methyltransferases (DNMTs) across ovarian, renal, and liver cancers; another selectively targets DNMTs and histone deacetylases (HDACs) in colorectal cancer (CRC); a third modulates HDACs and RNA modifiers in leukemia and breast cancer. These interventions reactivate silenced tumor suppressors, suppress epithelial mesenchymal transition (EMT), reverse metabolic reprogramming, and remodel the tumor immune microenvironment. Highly-glycosylated ginsenosides act indirectly via upstream signaling, while low-glycosylated metabolites exhibit superior bioavailability. Key mechanistic principles include family level epigenetic convergence, multi-enzyme co-regulation, and functional complementarity. Clinical translation is hindered by subtherapeutic intratumoral accumulation, lack of biomarker guided studies, and RNA modifier dependency variability. Ginsenosides represent a pharmacologically unique class of epigenetic modulators, with precision oncology potential when paired with delivery optimization and epigenetic biomarker stratification.

Alpinoblonoids A (1) and B (2), two 16-nor-labdane related diterpenoids featuring 2,6,6,10,11-pentamethyltricyclo[8.4.0.02,7]tetradecane and 11-ethyl-2,6,6,10-tetramethyltricyclo[8.3.0.02,7]tridecane skeletons, respectively, along with their biosynthetic precursor (3), were isolated from the rhizomes of Alpinia oblongifolia. Their structural elucidation was achieved by a variety of techniques, including spectroscopic and chemical methods, ECD calculations, as well as single-crystal X-ray diffraction. Compounds 1 and 2 exhibited antihepatic fibrosis activity by inhibiting the expressions of fibronectin, collagen I, and α-smooth muscle actin.