Atractylodes lancea (Thunb.) DC. (A. lancea) is a crop with medicinal and food properties. Currently, the majority of A. lancea available on the market is cultivated in extensive agricultural fields. This led to phenotypic variation in the plant and a reduction in the content of active ingredients. However, the cultivation of the understory can facilitate the phenotype of A. lancea. This, in turn, aligns with the characteristics of "excellent shape" and "high quality." Nonetheless, there is a paucity of research focusing on the phenotypic changes and molecular mechanisms underlying quality formation in understory-cultivated A. lancea. In this study, a comprehensive analysis of DNA methylation, phytohormone network regulation, and changes in energy metabolism in A. lancea across different habitats was performed through the integration of transcriptomic and proteomic data, representative phytohormone assays, and methylation-sensitive amplified polymorphism analysis. The results of the study revealed that the cultivation of A. lancea in the understory was predominantly characterized by a demethylation pattern, with its total methylation rate closely approximating that of the wild type. Understory-cultivated A. lancea maintains resource allocation equilibrium between growth and defense by upregulating genes (e.g., Lipoxygenase) and proteins associated with the jasmonic acid synthesis and signaling pathway, while downregulating genes (e.g., indole-3-pyruvate monooxygenase) and proteins linked to the auxin synthesis and signaling pathway. This cultivation method optimizes primary and secondary metabolism, thereby enhancing the bioactive components of A. lancea. The findings of this study provide a molecular-level theoretical framework for further advancement and implementation of the forest-medicine composite planting model.

BACKGROUND & AIMS:The quality and market value of the medicinal herb Atractylodes lancea (AL) are critically dependent on its variety, geographical origin, and production mode. To combat adulteration and ensure efficacy, we developed a novel multi-platform analytical strategy integrated with machine learning to establish a robust traceability model for variety discrimination, geographical origin determination, and production mode identification of AL and identify the key chemical indicators responsible for its authentication. RESULTS:Significant differences were found in trace element concentrations and isotopic ratios among samples. AL's main flavors were spicy, sweet, and fruity, with terpenoids as key aroma contributors. OPLS-DA identified key indicators for tracing AL's variety, including eleven trace elements (e.g., V, Al) and eight volatile compounds (e.g., β-Sesquiphellandrene, 2-Pinen-10-ol). For tracing AL origins, ten trace elements (e.g., Sr, Cr), two stable isotopes (δ13C, δ15N), five flavor components (e.g., 2-ethyl-3,6-dimethylpyrazine, 2-Pentadecanone), and twenty-six volatile components (e.g., γ-Gurjunene, β-Bisabolene) were identified. Furthermore, three trace elements (Mg, Li and Pb), two isotopes (δ13C and δ15N), two flavor components (α-Pinene and n-Nonylcyclohexane), and two volatile components (α-Copaene and α-Curcumene) were identified as key indicators for tracing AL's production modes. Finally, among the nine machine learning algorithms evaluated, LightGBM demonstrated superior performance, achieving a traceability accuracy of 95.28 ± 3.01%. CONCLUSION:The multi-platform data fusion strategy presents a thorough and dependable approach to quality control for Atractylodes lancea. This method establishes a precise, efficient, and adaptable framework, demonstrating substantial potential for application to other high-value botanicals and complex natural products.

Root rot is the most prevalent root disease affecting Atractylodes lancea (Thunb.) DC. (A. lancea) and poses the primary obstacle to the development of its cultivation industry. In this study, we isolated and purified the pathogen from the junction between infected and healthy tissues of diseased roots and rhizomes. Pathogenicity was confirmed, and the pathogen was identified as Macrophomina phaseolina through morphological and molecular characterization. The biological characteristics of M. phaseolina were subsequently analyzed. Using this identified pathogen as the reference strain, we screened various biogenic fungicides in laboratory assays and evaluated their efficacy in field trials. Additionally, their effects on the growth and physiological–biochemical parameters of A. lancea were assessed. The optimal growth conditions for M. phaseolina were determined to be PDA medium, a 12 h light/12 h dark photoperiod, temperatures between 25 and 35 °C, and a pH range of 4 to 5. Laboratory and field experiments identified three biogenic fungicides with the highest efficacy: 3

Expanding the cultivation range of Daodi medicinal materials is crucial for mitigating the shortage of high-quality medicinal resources. Cynanchum auriculatum, a salt- and alkali-tolerant medicinal plant, faces significant cultivation challenges due to soil salinity and alkalinity. This study systematically investigates the physiological, transcriptional, and metabolic responses of C. auriculatum under varying saline and alkaline conditions. We established the species-specific tolerance thresholds at soil salt content < 3.38‰ and pH < 8.16, based on a 50

Background: Depression is a common psychiatric disorder characterized by heightened stress exposure and disruptions in neuronal signaling. Growing evidence suggests that mitochondrial dysfunction contributes to its pathophysiology. In particular, mitochondrial dynamics regulated by Dnm1l/Drp1 are critical for neuronal homeostasis, and their dysregulation may lead to cellular impairment. Additionally, mitochondrial-endoplasmic reticulum contact sites (MERCs) are crucial for maintaining cellular function and require precise regulation. However, the role of Drp1 in modulating MERC structure and function in the context of depression remains unclear. Methods: We quantified protein changes via 4D-FastDIA proteomics. MERC alterations were examined using transmission electron microscopy (TEM) and proximity ligation assay (PLA). Mitochondrial metabolism was assessed with the Seahorse XF Analyzer. Autophagy was visualized through tyramine signal amplification and Imaris-based 3D reconstruction. The causal relationship was tested using Vglut2-Cre mice combined with specific flox-virus mediated Drp1 manipulation and pharmacological inhibition of autophagy. Depression-like behaviors were evaluated after chronic social defeat stress (CSDS). Results: Drp1 activation disrupts mitochondrial-endoplasmic reticulum contact sites (MERCs), leading to mitochondrial dysfunction and impaired autophagy, and ultimately promoting depressive-like behaviors. Inhibiting the MERC tethering protein GRP75 or enhancing mitophagy pharmacologically alleviated these neuronal and behavioral deficits. These findings identify Drp1-mediated MERC disruption as a key mechanism in depression and suggest therapeutic strategies targeting MERC integrity and autophagy. Conclusion: Our results provide novel mechanistic evidence that Drp1-mediated dysfunction at MERCs and impaired mitochondrial quality control contribute to the pathogenesis of depression. These findings underscore the importance of endoplasmic reticulum-mitochondrial crosstalk in depression and suggest potential therapeutic targets for modulating cellular resilience in stress-related disorders.

This study aims to screen and characterize the effects of (−)-α-pinene on bladder cancer (BC). It further seeks to develop a prognostic model using network pharmacology and transcriptomics. Additionally, we aimed to establish an injectable, thermo-responsive nanohydrogel delivery system for (−)-α-pinene to enhance the efficacy of anti-programmed death receptor 1 (PD-1) therapy in BC. This study integrated bioinformatics analyses to identify and validate key target genes in BC affected by (−)-α-pinene, followed by functional enrichment and prognostic modeling. Single-cell analysis further revealed the association of the key targets SPHK1 and SQLE with the tumor immune microenvironment. Finally, a thermos-responsive nanohydrogel loaded with (−)-α-pinene (Gel@PLGA@(−)-α-pinene@FA) was developed, and its therapeutic potential in combination with the PD-1 inhibitor Pembrolizumab against BC was evaluated, with a focus on modulating SQLE. This study identified 21 common genes targeted by (−)-α-pinene in BC, among which 6 were significantly upregulated and 15 were downregulated. The prognostic model constructed based on the 15 upregulated genes showed that the survival probability of patients in the high-risk group was significantly lower than that in the low-risk group. Clinical analysis confirmed the high expression of SPHK1 and SQLE in BC, and single-cell data revealed that SQLE was not only significantly enriched in bladder tumor cells but also in macrophage clusters. The synthesized Gel@PLGA@(−)-α-pinene@FA exhibited excellent targeting ability and biocompatibility, which effectively inhibited the expression of CD279 and SQLE in BC cell lines. Furthermore, the combination of this nanocomplex with Pembrolizumab significantly reduced the viability of UMUC-3 cells. This study provides theoretical support for the potential use of (−)-α-pinene as a therapeutic agent for BC and demonstrates the feasibility of a novel drug delivery system utilizing temperature-sensitive hydrogel nanomaterials. Particularly, the integration of this delivery system with a PD-1 inhibitor exhibits enhanced antitumor activity, offering innovative strategies and experimental evidence for BC treatment.

Escalating surface ultraviolet-B (UVB) radiation accelerates skin photoaging and underscores the need for safe, plant-derived photoprotectants. Amentoflavone (AF), the principal biflavonoid of the resurrection plant Selaginella tamariscina, has recognized anti-photoaging activity, yet its epidermal mechanism remains undefined. This study utilized animal and cellular models to investigate the therapeutic potential of AF (0.1-0.2 mg g-1) against photoaging. AF restored skin hydration and elasticity, reduced melanin deposition, and reversed UVB-induced epidermal hyperplasia and collagen/elastic-fiber disorganisation. AF decreased ROS and MDA while normalizing SOD, CAT and GSH-Px activities. Docking (LibDockScore = 125.596) and microscale thermophoresis (MST) revealed high-affinity AF-PAR2 interaction. Treatment with AF reduced PAR2 and Gαq levels, curtailed activation of PI3K, phosphorylated Akt, and phosphorylated FoxO6, and restored FoxO6 nuclear localization, which in turn enhanced MnSOD and CAT expression. In addition, AF suppressed UVB-induced upregulation of senescence-associated markers p16, p21, and GLB1 in both rat skin and HaCaT cells. However, administration of the PAR2 agonist SLIGRL-NH2 negated these benefits in both cellular and animal models. These findings position AF as a promising natural agent for anti-photoaging dermotherapy and provide a mechanistic basis for S. tamariscina-based product development.

Sanguisorbae radix (SR), the dried roots of Sanguisorba officinalis L. from the Rosaceae family, has been utilized in traditional herbal medicine for centuries. Flavonoids, recognized as natural antioxidants, have potential as food additives to extend food shelf life and enhance healthy food development. A study on the SR's material basis after carbonizing by stir-frying (CSF) was conducted from the perspective of enhancing flavonoid enrichment via Supramolecular. Taking Chinese Pharmacopoeia Edition 2020 as standard, the optimal CSF condition was optimized, stir-frying for 12 min at 250 C-degrees. Under this condition, nanoparticles with the highest content of (82.7 +/- 4.1) % were achieved compared to others. Three antioxidant experiments showed that nanoparticles exhibited the highest antioxidant activity, linked to flavonoids. Notably, all 50 flavonoid contents in nanoparticles increased or remained invariable after CSF, with total flavonoid fold changes >= 1.5 in qualitative analysis. Quantitative analysis demonstrated a significant increase in six tested flavonoids after CSF (P < 0.05), consistent with peak area normalization data, proving the nanoparticles' potential to enrich flavonoids. Overall, this study demonstrates that CSF of SR forms supramolecular complexes, thereby enriching flavonoids with antioxidant activity, elucidating the scientific significance of SR's enhanced efficacy from a formulation perspective.

Atractylodes lancea (Thunb.) DC is a Chinese herbal medicine with high medicinal value, and its dried rhizomes are widely utilized in traditional medicine. The primary active constituents of A. lancea include sesquiterpenoids and polyacetylenes, such as atractylodin, atractylon, and beta-eudesmol. The preponderance of A. lancea available in the commercial market is cultivated in fields, resulting in diminished concentrations of active components and inconsistencies in the quality of the medicinal materials. Nonetheless, understory cultivation has been demonstrated to enhance the content of active components in A. lancea and to align its phenotypic characteristics more closely with those of the wild type. However, research on the molecular mechanisms underlying the formation of quality in A. lancea during understory cultivation remains limited. This study employed transcriptomic and metabolomic approaches to systematically investigate the gene expression and metabolite synthesis of A. lancea across diverse habitats. The results demonstrated that understory cultivation enhances farnesyl diphosphate (FPP) biosynthesis and increases the content of sesquiterpene-related metabolites by upregulating the expression of genes involved in terpene skeleton biosynthesis, while downregulating downstream sesquiterpene genes, such as FLDH, ICMT, and FNTA. Additionally, the content of atractylodin was elevated through the upregulation of FAB2 and FAD2 gene expression. In addition to identifying differentially expressed genes and metabolites, this study constructed the regulatory network between transcription factors, genes, and metabolites. Furthermore, it hypothesized the sesquiterpenoid biosynthetic pathway, exemplified by atractylon and beta-eudesmol, as well as the polyacetylene biosynthetic pathway, represented by atractylodin. This study provides significant insights that will inform future, more detailed investigations into the biosynthetic pathways of A. lancea. It offers a theoretical foundation for understanding the "excellent shape and high quality" characteristics of A. lancea.

Sanguisorbae Radix (SR) has been employed as an herbal medicine over centuries. Charred SR (CSR), acquired via carbonization after the charred stir-frying of SR, demonstrates superior antimicrobial activity compared to SR. The aim of the study was to identify how carbonizing technology enhanced the ability of SR to inhibit the transformation from yeast to hypha and biofilm formation in C. albicans. In this paper, a vulvovaginal candidiasis (VVC) mouse model was used to evaluate the therapeutic effects. After CSR treatment, VVC mouse models nearly eliminated hyphal C. albicans adhering to the vaginal mucosa. The inhibitory activities of CSR on C. albicans biofilm formation and hyphal growth were assessed through quantitative biofilm analysis, morphological observations, and gene expression studies in vitro. Since the hyphal form signifies the initiation of biofilm development, this study confirmed CSR's remarkable inhibitory effect on C. albicans biofilm formation and hyphal growth. These effects were significantly weaker with SR. Additionally, the impact of carbonization on the composition of active compounds was analyzed. Carbonization significantly increased the content of ellagic acid (EA) and pyrogallic acid (PYG) by 7.44-fold and 28.09-fold, respectively. Both EA and PYG inhibited C. albicans biofilms and hyphal growth, with EA showing a more pronounced inhibitory effect. Finally, we concluded that carbonization technology enables SR to inhibit the yeast-to-hypha transition and biofilm formation in C. albicans by increase the levels of EA and PYG. EA was identified as the primary bioactive compound responsible for CSR's anti-biofilm effects.

Protostane triterpenes are medicinally important components found in members of the Alismataceae botanical family, notably Alisma orientale. Methyl jasmonate (MeJA) is known to regulate protostane triterpene biosynthesis in A. orientale, but the microRNA (miRNA) mechanism underlying MeJA response to promote triterpene biosynthesis remains unknown. In this study, we conducted miRNA sequencing analysis after MeJA induction in A. orientale to uncover the role of miRNAs in protostane triterpene biosynthesis. We identified 222 known miRNAs and 379 novel miRNAs, including 16 differentially expressed miRNAs (DEMs) between control and MeJA-treated leaf samples. Based on the Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway and Gene Ontology (GO) enrichment analysis, four DEMs and eight miRNA target genes were significantly enriched in the triterpene biosynthesis pathway. Integrated analysis of the transcriptome and miRNAome revealed a negative expression pattern between miRNAs and their target genes. We then constructed a regulatory network of miRNA-target gene relationships involved in the triterpene biosynthesis pathway. We found miRNAs may be involved in the response of A. orientale to exogenous MeJA by regulating the expression of key biosynthesis enzymes, leading to increased accumulation of medically important protostane triterpenes.

This study investigated the synergistic effects of compound bio-derived fungicide against Fusarium solani, the pathogen of root rot in Cynanchum auriculatum (CA), and the enhancement effect of loading these combinations through hollow microsphere silica nanoparticles (HMSNs). The mycelial growth rate method was used to evaluate the inhibition rates and EC50 values of eight biogenic fungicides. Highly active fungicide were identified, and their co-toxicity coefficients (CTCs) and combined toxicity were determined. A pot experiment was conducted using HMSN-loaded fungicide combinations. Among the eight fungicides tested, F. solani showed greatest sensitivity to pyrethrins, eugenol, and osthole, with EC50 values of 2.00, 9.49 and 10.90 mg/L, respectively. Of the 27 mixtures tested, the osthole-pyrethrins combination in 1:0.275 ratio exhibited the highest CTC (139.87) and the lowest EC50 (4.00 mg/L), demonstrating a strong synergistic effect. The HMSN-loaded mixture (CS@HMSN) significantly inhibited F. solani growth at all tested concentrations. At 50 mg/L, CS@HMSN achieved the lowest disease incidence (12.50) and incidence rate (33.33 %) while also activating defense enzymes such as superoxide dismutase, catalase, and peroxidase. This alleviated the adverse effects of F. solani on CA and improved plant resilience. These findings suggest that 50 mg/L CS@HMSN is a promising fungicide formulation for the biological control of CA root rot, offering an effective alternative to chemical fungicides while enhancing sustainability in production systems.

The growth and quality of Cynanchum auriculatum is profoundly influenced by the soil environment, where multi-year cultivation leading to a reduction in growth potential and an increased susceptibility to diseases. Despite these impacts, there is a lack of comprehensive reports on how the soil environment specifically affects the growth and quality of C. auriculatum. In this study, we collected rhizosphere soil and root samples of C. auriculatum. We determined the soil composition, carbon metabolic capacity, and potential functions using metagenomic techniques, and analyzed the chemical constituents in the roots. We found that microbial metabolic capacity for phenolic acid carbon sources declined significantly in C. auriculatum rhizosphere soils from the third-year compared to the second-year. As planting years increased, the diversity of the rhizosphere soil bacterial community decreased. Bradyrhizobium and Lysobacter were identified as the dominant bacterial genera in the rhizosphere soil of C. auriculatum. The soil environmental factors influencing changes in bacterial and fungal communities in rhizosphere soil were identified as total nitrogen, available nitrogen, available phosphorus, available potassium, alkaline phosphatase, and catalase. These factors influenced the function of metabolic genes in rhizosphere microorganisms, leading to a decrease in metabolic activity and a disruption in the dynamic balance of microorganisms. Our research can provide a theoretical basis for enhancing the rhizosphere soil environment, optimizing management practices, and increasing the productivity and quality of C. auriculatum.

Field planting results in variable rhizome traits and leading to a reduction in the quality of A. lancea. By simulating the habitat of A. lancea, we conducted a study on the quality of A. lancea rhizomes by in-forest planting. We compared the effects of ecological factors (e.g., soil and light) on the formation of agronomic traits, physiological, biochemical, and quality indices between A. lancea under in-forest planting and field planting conditions over 1–2 years. Our results demonstrate that, compared with field planting, biennial A. lancea rhizomes grown in the in-forest exhibit superior quality traits, including increased cinnabar dots in cross-sections and higher concentrations of medicinal components (volatile oils, atractylodin, and atractylon). Furthermore, a positive correlation was observed between the expression levels of key biosynthetic enzyme-encoding genes (FAD, ACC, HMGR, SS, and FPPS) and the accumulation of these medicinal components, with significantly higher expression in in-forest-grown plants than in field-planted ones. Reduced antioxidant enzyme activity in in-forest-planted A. lancea suggests that mild environmental stress promotes secondary metabolite biosynthesis. Additionally, lower chlorophyll content and photosynthetic rates indicate that moderate shading enhances medicinal quality. In-forest-planted A. lancea thrived in nutrient-rich soil with a diverse microbial community. Notably, increased abundances of Gp2 and Gp3 bacteria were positively associated with elevated levels of volatile oils, atractylodin, and atractylon. Mineral-enriched soil and suitable light conditions are key factors for producing high-quality A. lancea in in-forest planting systems.

Introduction: Ellagic acid (EA), commonly found in foods, offers significant health benefits in combating chronic diseases. However, its therapeutic potential is hindered by its extremely poor solubility and bioavailability. Method: In this study, EA nanoparticles (EA NPs) were produced using a sono-assembly method, without additional agents. Results: EA NPs exhibited stick-like nanoparticle structures with an average size of 147.3 +/- 0.73 nm. EA NPs likely adopt a tunnel-type solvate structure, with 4 water participating in disruption of intramolecular hydrogen bonds in EA and establishment of intermolecular hydrogen bonds between EAs. Importantly, EA NPs exhibited remarkable enhancements in water solubility, with 120.7-fold increase in water, and 97.8-fold increase in pH 6.8 buffer. Moreover, ex vivo intestinal permeability studies demonstrated significant improvements (P < 0.5). These findings were further supported by in vivo pharmacokinetic studies, where EA NPs significantly enhanced the relative bioavailability of EA by 4.69 times.

Alismatis rhizoma is an essential medicine in clinical practice. Asian water plantain ( Alisma orientale (Sam.) Juzep) is one of the original plants of Alismatis rhizoma. Previous studies have identified the optimal light intensity range for the growth and development of A. orientale , but the mechanism by which light intensity affects the accumulation of secondary metabolites of A. orientale is unknown. The aim of this study was to investigate the effect of light intensity on the accumulation of triterpenoids in A. orientale saplings and its potential molecular mechanism. The dry weight and contents of total triterpenes and indicative components (alisol B 23-acetate and alisol C 23-acetate) as well as the expression of key enzyme genes in the triterpene biosynthesis pathway under different light intensities (50–600 μmol m −2 ·s −1 ) were determined. The results showed that the accumulation of dry matter and the contents of total triterpenes, alisol B 23-acetate, and alisol C 23-acetate increase first and then decrease with increasing light intensity, with the maximum values of 31.65 g, 18.35 mg·g −1 , 1.91 mg·g −1 , and 0.13 mg·g −1 recorded at light intensities of 400, 200, and both of 300 μmol m −2 ·s −1 , respectively. Light intensities of 200–400 μmol m −2 ·s −1 promote the expressions of key enzyme genes and the accumulation of total triterpenes significantly. Correlation analysis showed that the expression levels of key enzyme genes are significantly correlated with total triterpene and indicative component contents, and these correlations are strongest under moderate light intensities. Overall, our results reveal that a moderate light intensity of 200–400 μmol m −2 ·s −1 is beneficial for the growth and synthesis of protostane triterpenes in A. orientale seedlings, and that its probable mechanism involves the upregulated expression of enzymes that are key in the synthesis of triterpenoid ingredients. This study clarified the suitable light intensity range for the synthesis and accumulation of protostane triterpenes of A. orientale , which provided scientific basis for the production of high-quality superior forms of A. orientale .

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INTRODUCTION:Baishouwu, derived from Cynanchum auriculatum (CA) Royle ex Wight, Cynanchum bungei (CB) Decne., and Cynanchum wilfordii (CW) (Maxim.) Hemsl., is a valuable traditional Chinese medicine. CA is also recognized as a new food resource by China's National Health Commission. Given the considerable variations in flavor and chemical composition among these species and lack of their qualitative assessments, accurately differentiating between the species constituting Baishouwu is essential. OBJECTIVE:To develop a method combining electronic tongue (E-tongue), electronic nose (E-nose), and ultra-performance liquid chromatography-quadrupole-time of flight/mass spectrometry (UPLC-Q-TOF/MS) to differentiate between Baishouwu samples. MATERIAL AND METHODS:Fifteen batches of Baishouwu samples were analyzed using E-tongue, E-nose, and UPLC-Q-TOF/MS. Flavor differences and key differential metabolites were determined through principal component analysis and orthogonal partial least squares discriminant analysis. RESULTS:E-tongue results revealed umami, sweetness, and richness as the predominant flavors of Baishouwu, with CA having the highest umami response, CW exhibiting the highest bitterness, and CB the highest sweetness. E-nose sensors showed consistent responses across species, with variations in signal strength; W1W and W2W sensors showed the highest response values. A total of 158 and 41 characteristic variables in the positive and negative ion modes, respectively, were selected as candidate differential metabolites, of which 29 and 14 were confirmed through database comparison. Eight critical differential metabolites, including C21 steroids and acetophenone compounds, were identified. CONCLUSION:This study presents a strategy for differentiating among the species constituting Baishouwu, providing a basis for broader application and establishing quality standards for these medicinal compounds.

Atractylodes lancea (AL) is argued to be the best botanical source of the atractylodes rhizome (AR), which is used within traditional Chinese medicine. However, in recent years there have been a number of issues around the production and use of AR, including authenticity, confusion, and mislabeling between AL and Atractylodes chinensis (AC) isolates, geographical origins, and production modes. These discrepancies can impact both the quality and commercial value of the crop. In this study, volatile organic compounds from 173 batches of AR isolated from both AL and AC plants were compared using a flash gas chromatography electronic nose (flash GC e-nose) and headspace gas chromatography-mass spectrometry (HS-GC-MS). The flash GC e-nose revealed that the main aromas of AR were spicy, sweety, and fruity, and the flavor differences of Atractylodes lancea from different geographical origins are mainly reflected in sweetness and spicy taste. Furthermore, HS-GC-MS showed that terpenoids are key indicators for determining the quality and further clarifying the origin of AL. Eight terpenoids including 2-pinen-10-ol and beta-elemene were higher in abundance in AL than AC; seven terpenoids including alpha-curcumene and alpha-pinene were higher in abundance in wild AL than cultivated AL; and there were significantly different quantities of ten terpenoids including agarospirol and beta-bisabolene present in samples of AL taken from Jiangsu, Henan and Hubei provinces. Finally, the performance of eight machine-learning algorithms to distinguish between AL and AC, and recognize different regions and production patterns of AL, were compared. Among them, XGBoost had the highest differentiation accuracy of 86.17 +/- 7.48%. This study provides a rapid and accurate strategy for addressing quality control and market regulation issues for AL and other industrial crops.

The interactions between human serum albumin (HSA) and the hemostatic components of the Chinese medicine Sanguisorbae Radix (SR), specifically phenolic acid compounds such as caffeic acid (CA), ferulic acid (FA) and their 1:1 mixture (1:1) were studied to investigate the molecular mechanism underlying the hemostatic effect of SR. Network pharmacology combined with the experimental and computational data revealed that HSA is one of the hemostatic targets to SR phenolic acids. SDS-PAGE and multi-spectroscopy demonstrated that the phenolic acids bind to the Sudlow site I on HSA, altering its structure and influencing its migration velocity. There is an observed synergistic effect upon the mixture of CA and FA. Quantum chemistry, molecular docking, and molecular dynamics simulations indicate that the binding of phenolic acids to HSA is stable, and variations in binding efficiency are associated with the hydrophobicity of the substituent at the C3 position of the side chain, and also, the key amino acids and functional groups for hemostasis of SR were identified, along with the active sites that contribute to the synergistic enhancement by phenolic acids.