Ethnopharmacological relevanceDa-Chai-Hu-Tang (DCHT), a Chinese traditional herbal compound, has been utilized for the treatment of Hepatic diseases in China for over 1,800 years. The DCHT formula contains eight herbals: Bupleurum chinense DC. (chaihu), Scutellaria baicalensis Georgi (huangqin), Paeonia lactiflora Pall. (baishao), Pinellia ternata (Thunb.) Makino (banxia), Rheum officinale Baill. (dahuang), Citrus × aurantium L. (zhishi), Zingiber officinale Roscoe (shengjiang), Ziziphus jujuba Mill. (dazao). Clinical studies have demonstrated the effectiveness of DCHT in hepatocellular carcinoma (HCC) and its ability to enhance the immunity of patients with hepatocellular carcinoma. A total of 20 Chinese articles have been published on the use of DCHT in treating HCC.Aim of the studyThe study aimed to validate the effect of DCHT in HCC cells and to identify related targets (TP53, AKT1, BCL2, STAT3) in treating HCC by DCHT in vitro experiments.Materials and methodsCell proliferation and migration were investigated in vitro. Flow cytometry analysis was used to evaluate the cell cycle and apoptosis. Apoptotic bodies in HepG2 cells were observed using a confocal microscope. Biochemical detection was employed to analyze LDH release, MDA levels, and SOD levels. Bioinformatics analysis was used to predict core targets between DCHT and HCC, as well as potential signaling pathways. The protein levels of metastasis-associated, apoptosis, and PI3K, AKT, p-AKT, and STAT3 were further determined through Western blotting.ResultsFollowing treatment with DCHT, the inhibition of viability, migration, and G2/M arrest was observed in HepG2 cells. Flow cytometry analysis and Morphological apoptosis studies provided evidence that DCHT could induce apoptosis in HepG2 cells. Biochemical detection revealed that DCHT could increase LDH release and the level of MDA, and inhibit the viability of the SOD. Bioinformatics analysis identified key targets such as TP53, AKT1, BCL2, STAT3. The PI3K/AKT/STAT3 signaling pathway emerged as a critical pathway in the KEGG enrichment analysis. Western blotting results indicated that DCHT could enhance the expression of E-cadherin, p53, and Bax, while reducing the content of N-cadherin, Bcl-2, PI3K, p-AKT, AKT1, and STAT3.ConclusionsThe results proved that DCHT could inhibit the progression and metastasis of HCC by regulating the expression of E-cadherin, N-cadherin, p53, Bax, Bcl-2, PI3K, p-AKT, AKT, and STAT3 through the PI3K/AKT/STAT3 signaling pathway.

BackgroundPerioperative chemotherapy is the standard of care for patients with locally advanced gastric and gastroesophageal junction cancer. Recent evidence demonstrated the addition of programmed cell death protein 1 (PD-1) inhibitors enhanced therapeutic efficacy. However, the mechanisms of response and resistance remain largely undefined. A detailed multiomic investigation is essential to elucidate these mechanisms.MethodsWe performed whole-exome sequencing, whole-transcriptome sequencing, multiplex immunofluorescence and single-cell RNA sequencing on matched pretreatment and post-treatment samples from 30 patients enrolled in an investigator-initiated Phase 2 clinical trial (NCT04908566). All patients received neoadjuvant PD-1 inhibitors in combination with chemotherapy. A major pathologic response (MPR) was defined as the presence of no more than 10% residual viable tumor cells following treatment.ResultsBefore treatment, the positive ratio of CD3+T cells in both the tumor parenchyma and stroma was significantly higher in the non-MPR group compared with the MPR group (p=0.042 and p=0.013, respectively). Least absolute shrinkage and selection operator regression was employed for feature gene selection and 13 genes were ultimately used to construct a predictive model for identifying MPR after surgery. The model exhibited a perfect area under curve (AUC) of 1.000 (95% CI: 1.000 to 1.000, p<0.001). Post-treatment analysis revealed a significant increase in CD3+T cells, CD8+T cells and NK cells in the tumor stroma of MPR patients. In the tumor parenchyma, aside from a marked increase in CD8+T cells and NK cells, a notable reduction in macrophage was also observed (all p<0.05). Importantly, forkheadbox protein 3 (FOXP3), the principal marker for regulatory T cells (Treg) cells, showed a significant decrease during treatment in MPR patients. FOXP3 expression in the non-MPR group was significantly higher than in the MPR group (p=0.0056) after treatment. Furthermore, single-cell RNA sequencing analysis confirmed that nearly all Treg cells were derived from the non-MPR group.ConclusionsOur study highlights the critical role of dynamic changes within the tumor immune microenvironment in predicting the efficacy of neoadjuvant combined immunochemotherapy. We examined the disparities between MPR/non-MPR groups, shedding light on potential mechanisms of immune response and suppression. In addition to bolstering cytotoxic immune responses, specifically targeting Treg cells may be crucial for enhancing treatment outcomes.

Background: Guanxinning tablet (GXNT), a Chinese patent medicine, is composed of salvia miltiorrhiza bunge and ligusticum striatum DC, which may play the role of endothelial protection through many pathways. We aimed to explore the molecular mechanisms of GXNT against atherosclerosis (AS) through network pharmacology and molecular docking verification. Methods: The active ingredients and their potential targets of GXNT were obtained in traditional Chinese medicine systems pharmacology database and analysis platform and bioinformatics analysis tool for molecular mechanism of traditional Chinese medicine databases. DrugBank, TTD, DisGeNET, OMIM, and GeneCards databases were used to screen the targets of AS. The intersection targets gene ontology and Kyoto encyclopedia of genes and genomes enrichment analysis were performed in DAVID database. GXNT-AS protein-protein interaction network, ingredient-target network and herb-target-pathway network were constructed by Cytoscape. Finally, we used AutoDock for molecular docking. Results: We screened 65 active ingredients of GXNT and 70 GXNT-AS intersection targets. The key targets of protein-protein interaction network were AKT1, JUN, STAT3, TNF, TP53, IL6, EGFR, MAPK14, RELA, and CASP3. The Kyoto encyclopedia of genes and genomes pathway enrichment analysis showed that pathways in cancer, lipid and atherosclerosis, and PI3K-Akt signaling pathway were the main pathways. The ingredient-target network showed that the key ingredients were luteolin, tanshinone IIA, myricanone, dihydrotanshinlactone, dan-shexinkum d, 2-isopropyl-8-methylphenanthrene-3,4-dione, miltionone I, deoxyneocryptotanshinone, Isotanshinone II and 4-methylenemiltirone. The results of molecular docking showed that tanshinone IIA, dihydrotanshinlactone, dan-shexinkum d, 2-isopropyl-8-methylphenanthrene-3,4-dione, miltionone I, deoxyneocryptotanshinone, Isotanshinone II and 4-methylenemiltirone all had good binding interactions with AKT1, EGFR and MAPK14. Conclusion: The results of network pharmacology and molecular docking showed that the multiple ingredients within GXNT may confer protective effects on the vascular endothelium against AS through multitarget and multichannel mechanisms. AKT1, EGFR and MAPK14 were the core potential targets of GXNT against AS.

Background There is growing emphasis on the cardiotoxicity research over the past 12 years. To look for the hotspots evolution and to explore the emerging trends in the field of cardiotoxicity, publications related to cardiotoxicity were acquired from the Web of Science Core Collection on August 2, 2022. Methods We used the CiteSpace 5.8 R3 and VOSviewer 1.6.18 to perform bibliometric and knowledge-map analysis. Results A total of 8,074 studies by 39,071 authors from 6,530 institutions in 124 countries or regions were published in different academic journals. The most productive country was absolutely the United States, and the University of Texas MD Anderson Cancer Center was the institution with the largest output. Zhang, Yun published the most articles, and the author who had the most frequent co-citations was Moslehi, Javid. New England Journal of Medicine was the most frequently cited journals in this field. Mechanisms of cardiotoxicity have received the most attention and was the main research directions in the field. The disease of cardiotoxicity together with the related risk factors are potential research hotspots. Immune checkpoint inhibitor and myocarditis are two recently discussed and rapidly expanding research topic in the areas of cardiotoxicity. Conclusions This bibliometric analysis provided a thorough analysis of the cardiotoxicity, which would provide crucial sources of information and concepts for academics studying this area. As a rapidly expanding field in cardiology, the related field of cardiotoxicity will continue to be a focus of research.

Objective To rapidly identify the chemical constituents of Cirsium japonicum Fisch.ex DC,Cirsium setosum （Willd） MB and Cirsium tianmushanicum Shih by UHPLC-Q-Exactive-Orbitrap-MS.Methods The chromatography was performed on a Waters Acquity UPLC BEH-C 18 column （2.1 mm×50 mm,1.7μm） with acetonitrile （A）-0.1% formic acid （B） as the mobile phase gradient elution.Alcohol extracts of Cirsium japonicum Fisch.ex DC,Cirsium setosum （willd）MB and Cirsium tianmushanicum Shih were analyzed by primary and multistage full-scan mass spectrometry （MS） under ESI anion mode to collect the MS data.According to the similarity of MS/MS fragmentation patterns,GNPS molecular network was established.Cytoscape 3.6.1 software was used to screen molecular clusters with similar structures.Finally,chemical components of 3 Cirsium mill medicinal plants were identified by retention time,precise molecular weight of high resolution mass spectrometry and multilevel MS/MS fragmentation information.Results Totally 71 compounds from 3 species of plants were identified,including 22 organic acids,24 flavonoids,3 quinones,5 triterpenoids,3 volatile oil compounds and 14 other compounds.Conclusion The UHPLC-Q-Exactive-Orbitrap-MS technique provides a rapid,sensitive and accurate method for the qualitative analysis and quality control of Cirsium mill medicinal plants,and also a scientific basis to further elucidate its efficacy,quality standards,resource development and utilization.

OBJECTIVE:To investigate the efficacy of Zhenxin Anshen formula (, ZXAS) on atopic dermatitis (AD) by transient receptor potential vanilloid 1 (TRPV1) and transient receptor potential ankyrin 1 (TRPA1) signalling pathway in mice and .METHODS:AD-like lesions were induced by 1-chloro-2,4-dinitrobenzene (DNCB) to the shaved dorsal skin of BALB/c mice. BALB/c mice were divided into five groups: normal control, model control, cetirizine, low-, medium-, and high-dose of ZXAS. After ZXAS in-tervention, the skin lesions and blood samples were collected for hematoxylin and eosin-stained and measuring the concentrations of inflammatory cytokines. Immun-oglobulin E (IgE), interleukin (IL)-4, IL-5, IL-13, and thymic stromal lymphopoietin (TSLP) were de-tected by Enzyme-linked immunosorbent assay (ELISA). The spinal cords were collected for measuring the expression of gastrin-releasing peptide receptor (GRPR), TRPV1, and TRPA1 by using immunohistochemistry, western blotting, and quantitative real-time polymerase chain reaction (qRT-PCR) analyses. In addition, 3-(4,5-dimethylthiazolyl-2)-2, 5-diphenyltetrazolium bromide (MTT) assay, flow cytometry, ELISA, and Western blotting were conducted for analysis of primary dorsal root ganglia (DRG) neurons .RESULTS:ZXAS treatment improved DNCB-induced AD-like lesions through reducing dermatitis score, number of scratching and epidermal thickness, accompanied by the de-creased IgE and Th2 inflammatory cytokines. ZXAS also supressed the mRNA and protein expression of GRPR, TRPV1, and TRPA1 in the spinal cord. The medicated sera of ZXAS decreased capsaicin-induced Ca influx and downregulated the expression of TRPV1, TRPA1, and phospholipase C in DRG neurons.CONCLUSIONS:The therapeutic effect of ZXAS on AD may be related to the regulation of TRPV1 and TRPA1 and inhibition of Ca2+ signals in neurons.

极外侧型腰椎间盘突出 (extreme lateral lumbar disc herniation, ELLDH) 特指腰椎间盘突出髓核位于椎间孔内和(或)椎间孔外,是腰椎间盘突出的一种特殊类型 [1].经典ELLDH分型包括:陈仲强等 [2]依据髓核移位位置提出的Ⅰa-Ⅱb型和周跃等 [3]依据髓核在孔内、孔外位置提出的Ⅰ-Ⅲ型,以上两种分型对指导手术和解释症状具有重要意义.蒲俊刚等[4]发现部分ELLDH病人突出物不仅位于椎间孔内或(和)外,同时位于椎管内,并将合并椎管内突出的ELLDH归为IV型,丰富了ELLDH分型,对临床治疗ELLDH具有一定意义.

Objective:To study the chemical constituents from the fruits of Decaisnea insignis.Methods:The chemical constituents from the fruits of Decaisnea insignis were isolated and purified by various chromatographic techniques,the structures were identified by spectroscopy methods.Results:Twenty-one compounds were isolated from the dichloromethane fraction of the fruit of Decaisnea insignis and identified as lupeol（1）,betulinic acid（2）,β-amyrin（3）,β-amyrinpalmitate（4）,β-amyrin ketone（5）,bacosine（6）,12-oleanene-3,11-dione（7）,eupatoric acid（8）,oleanol-12-ene-28-aldehyde-3β-hydroxy（9）,stigmasterol（10）,β-sitosterol（11）,stigmast-4-ene-3-one（12）,stigmast-4,22-diene-3-one（13）,5 a,sa-epidioxyergosta-6,22-dien-3β-ol（14）,5,7-dihydroxy-chromone（15）,kaempferol（16）,quercetin（17）,（+）-pinonesinol（18）,dipentyl phthalate（19）,hexadec-9-enoic acid（20）,（9 Z）-heptadec-9-en-1-ol（21）,respectively.Conclusion:All compounds are isolated from the Decaisnea genus for the first time,compounds 4 to 8,12 to 15,18 to 21 are from Lardizabalaceae for the first time.

目的 研究青翘的质量等级标准.方法 采集全国连翘主产区的138批青翘药材,按2020年版《中国药典》相关方法检测青翘药材中杂质、水分、醇溶性浸出物、挥发油、连翘苷、连翘酯苷A等质量指标的含量,并筛选合格样品.采用层次分析与主成分分析(AHP-PCA)混合加权法确定上述指标(杂质限量除外)的综合权重,并计算青翘合格样品的综合得分,再根据K-均值聚类分析结果提出青翘质量等级划分建议.结果 与结论 青翘中杂质、水分、醇溶性浸出物、挥发油、连翘苷、连翘酯苷A的含量范围分别0～7.80％、1.60％～8.18％、13.13％～61.60％、0.21％～3.47％、0.02％～2.15％、0.79％～14.04％,平均含量分别为1.24％、4.97％、34.88％、2.01％、0.42％、6.86％,138批青翘药材共有47批合格.建议青翘质量等级标准可划分为3级:一级青翘的挥发油含量≥2.40％,连翘苷含量≥0.59％,连翘酯苷A含量≥8.34％,醇溶性浸出物含量≥38.66％,水分含量≤4.99％;二级青翘上述指标含量分别≥2.26％、≥0.41％、≥7.47％、≥32.58％、≤5.33％;三级青翘上述指标含量分别≥2.15％、≥0.32％、≥4.60％、≥31.52％、≤7.23％.

目的:运用电子舌技术对炒制前后酸枣仁滋味进行定量表征,建立生、炒酸枣仁滋味判别模型.方法:采用电子舌技术对生、炒酸枣仁本身味道进行检测,通过配对t检验、主成分分析(PCA)、正交偏最小二乘法-判别分析(OPLS-DA)对获取的各味道特征值进行处理,分析酸枣仁炒制前后各味道的变化情况.结果:配对t检验显示,酸枣仁炒制对AHS(酸)、CTS(咸)、NMS(鲜)、ANS(甜)、CPS(通用)、SCS(苦)味值的变化均有影响,对PKS(通用)味值影响不明显,其中SCS、NMS、CPS、AHS、ANS味值上升,CTS味值下降,炒制对各滋味的影响程度为SCS>NMS>CPS>AHS>ANS>CTS>PKS;通过PCA可以区分酸枣仁与炒酸枣仁;通过OPLS-DA可以建立酸枣仁与炒酸枣仁滋味判别模型,该模型对X矩阵的解释率(R2X)=0.900、对Y矩阵的解释率(R2Y)=0.967、预测能力(Q2)=0.965,表明该模型拟合度、预测性良好.结论:电子舌技术可以从数值上客观化体现炒制对酸枣仁滋味的影响,可以对生、炒酸枣仁滋味进行鉴别,为生、炒酸枣仁差异研究提供数据参考.

为规范地方政府对当地食品安全的监管,我国于2019年提出地方特色食品的概念.通过对地方特色食品法规与欧盟相关政策进行比较发现,我国地方特色食品存在定义模糊的问题,建议将其定义修改为在我国部分区域存在30年以上传统食用习惯的、地方特有的食品原料或采用传统工艺生产的食品,包括涉及的食品安全指标或要求现有食品安全国家标准尚不能覆盖的食品.

文章针对中医临床症状实体及属性抽取存在医疗短文本语义信息欠缺,常用的流水线方法易导致多任务之间产生错误累积的问题,提出一种基于深度学习的症状实体及属性抽取方法.首先通过基于BLSTM-CRF的序列标注模型完成"实体/修饰属性"识别;其次根据扩展步长的就近匹配原则生成高覆盖率、低冗余度的"实体—属性值"候选对;最后基于ERNIE-BGRU-MP完成关系分类,利用ERNIE丰富文本上下文信息,联合BGRU提取文本全局特征信息,采用最大池化法过滤冗余和噪声信息,提高模型的泛化性和鲁棒性.

Chronic inflammation is closely related to chronic inflammatory diseases, autoimmune diseases and cancer. Few studies have evaluated the effects of exposure to multiple chemical combinations on immunoinflammatory related indicators and their possible molecular mechanisms. This study explored the effect of exposure to various chemicals on immune-inflammatory biomarkers and its molecular mechanism. Using data from 1,723 participants in the National Health and Nutrition Examination Survey (NHANES, 2011–2012), the aim was to determine the association between chemical mixtures and immunoinflammatory biomarkers [including White blood cell (Wbc), neutrophil (Neu), lymphocytes (Lym), and Neutrophil-to-lymphocyte ratio (NLR)] using linear regression model, weighted quantile sum regression (WQSR) model, and bayesian nuclear machine regression (BKMR) model. Meanwhile, functional enrichment analysis and protein–protein interaction network establishment were performed to explore the molecular mechanism of inflammation induced by high-weight chemicals. In the linear regression model established for each single chemical, the four immunoinflammatory biomarkers were positively correlated with polycyclic aromatic hydrocarbons (PAHs), negatively correlated with perfluoroalkyl substances (PFASs), and positively or negatively correlated with metallic and non-metallic elements. WQSR model showed that cadmium (Cd), perfluorooctane sulfonic acid (PFOS) and perfluorodecanoic acid (PFDE) had the highest weights. In BKMR analysis, the overall effect of chemical mixtures was significantly associated with Lym and showed an increasing trend. The hub genes in high-weight chemicals inflammation-related genes were interleukin-6 (IL6), tumor necrosis factor (TNF), and interleukin-1B (IL1B), etc. They were mainly enriched in inflammatory response, Cytokine-cytokine receptor interaction, Th17 cell differentiation and IL-17 signaling pathway. The above results show that exposure to environmental chemical cocktails primarily promotes an increase in Lym across the immune-inflammatory spectrum. The mechanism leading to the inflammatory response may be related to the activation of IL-6 amplifier by the co-exposure of environmental chemicals.

Background: Cutaneous melanoma (CM) is a type of skin cancer with a high fatality rate, and its pathogenesis has not yet been fully elucidated.Methods: We obtained the gene expression datasets of CM through the Gene Expression Omnibus (GEO) database. Subsequently, robust rank aggregation (RRA) method was used to identify differentially expressed genes (DEGs) between CM cases and normal skin controls. Gene functional annotation was performed to explore the potential function of the DEGs. We built the protein-protein interaction (PPI) network by the Interactive Gene database retrieval tool (STRING) and selected hub modules by Molecular Complexity Detection (MCODE). We furthered and validated our results using the TCGA-GTEX dataset. Finally, potential small molecule drugs were predicted by CMap database and verified by molecular docking method.Results: A total of 135 DEGs were obtained by RRA synthesis analysis. GMPR, EMP3, SLC45A2, PDZD2, NPY1R, DLG5 and ADH1B were screened as potential targets for CM. Furazolidone was screened as a potential small molecule drug for the treatment of CM, and its mechanism may be related to the inhibition of CM cell proliferation by acting on GMPR.Conclusion: We identified seven prognostic therapeutic targets associated with CM and furazolidone could be used as a potential drug for CM treatment, providing new prognostic markers, potential therapeutic targets and small molecule drugs for the treatment and prevention of CM.

目的 研究金橘Fortunella margarita(Lour.)Swingle的化学成分.方法 金橘成熟果实95％乙醇提取物采用硅胶、ODS、MCI、Sephadex LH-20以及半制备HPLC进行分离纯化,根据理化性质和波谱数据鉴定所得化合物结构.结果 从中分离得到17个化合物,分别鉴定为无羁萜(1)、α-香树脂醇(2)、β-谷甾醇(3)、羽扇豆醇(4)、β-香树脂醇(5)、柠檬苦素(6)、表无羁萜醇(7)、滨蒿内酯(8)、东莨菪内酯(9)、citrusinine-Ι(10)、山柰酚(11)、芦丁(12)、(+)-nyasol(13)、金柑苷(14)、acacetin-8-C-neohesperidoside(15)、syringaresinol 4'-O-β-D-glucopyranoside(16)、vanilloloside(17).结论 化合物1～2、4～5、7～10、13、16～17为首次从该植物中分离得到,化合物16为金橘属植物中首次分离得到.

Hepatocellular carcinoma (HCC) is the sixth leading cancer throughout the world and ranks fourth in cancer mortality. Necroptosis modulates tumorigenesis, metastasis, and treatment resistance. However, gene sets related to necroptosis in HCC are rarely analyzed. Hence, it is vital to assess the clinicopathological influence of necroptosis in a large HCC patient population. Our goal in this research was to develop a novel HCC prognostic indicator based on necroptosis. To that end, we examined 132 necroptosis related genes (NRGs) and recognized 36 differentially expressed NRGs (DE-NRGs) in the Cancer Genome Atlas (TCGA) cohort. Using both uni- and multivariate Cox regression models, we selected 4 NRGs, which can be employed to categorize HCC cases into low- or high-risk groups. Based on our survival analysis, the overall survival (OS) duration of high-risk cases was markedly shorter, in comparison with low-risk cases. We also verified using COX regression analysis that NRGs can serve as stand-alone prognostic indicators of HCC prognosis. Moreover, the area under the curve (AUC) of the combined prediction model was 0.807. Lastly, we also verified the validity of our model using the Gene Expression Omnibus (GEO) dataset. In summary, a state-of-the-art NRG-based HCC prognostic indicator is established to accurately predict the outcome of HCC cases to aid clinicians in the efficient planning and designing of personalized anti-HCC therapy.

DNA methylation (DNAm) plays an important role in the pathogenesis of psoriasis through regulating mRNA expressions. This study aimed to identify hub genes regulated by DNAm as biomarkers of psoriasis. Psoriatic skin tissues gene expression and methylation datasets were downloaded from Gene Expression Omnibus (GEO) database. Subsequently, multiple computational approaches, including immune infiltration analysis, enrichment analysis, protein–protein interaction (PPI) network establishment, and machine learning algorithm analysis (lasso, random forest, and SVM-RFE), were performed to analyze the regulatory networks, to recognize hub genes, and to clarify the pathogenesis of psoriasis. Finally, the hypermethylated genes were used to immune cell infiltration analysis, which revealed that psoriasis skin tissues were mainly composed of activated dendritic cells, resting mast cells, T follicular helper cells (cTfh), etc. Differentially expressed-methylated genes (DEMGs) were identified and partitioned into four subgroups and the 97 significantly hypermethylated and downregulated (hyper-down) genes accounted for the highest proportion (47%). Hyper-down genes were mainly enriched in glucose homeostasis, AMP-activated protein kinase (AMPK) signaling pathway, lipid storage disease, partial lipodystrophy, and insulin resistance. Furthermore, insulin receptor substrate 1 (IRS1), Rho guanine nucleotide exchange factor 10 (ARHGEF10) and retinoic acid induced 14 (RAI14) were identified as potential targets. These findings provided new ideas for future studies of psoriasis on the occurrence and the molecular mechanisms.

目的:探究不同产地酸枣仁化学成分的差异及分布规律.方法:基于代谢物信息公共数据库,利用超高效液相色谱-线性离子阱/静电场轨道阱组合式高分辨质谱法(UHPLC-LTQ-Orbitrap MS)结合代谢组学多元统计技术,对检测的一级谱、二级谱数据进行定性分析,并采用主成分分析(PCA)、正交偏最小二乘法-判别分析(OPLS-DA)对化合物进行分析,确定不同产地酸枣仁的差异代谢物.结果:通过对照品指认、文献比对及高分辨质谱数据解析,共鉴定酸枣仁中49个化合物和9个新成分.其中,山柰酚-3-O-芸香糖苷、6?-对羟基苯甲酰斯皮诺素及美洲茶酸在不同产地间差异有统计学意义.结论:通过UHPLC-LTQ-Orbitrap MS,发现不同产地酸仁枣化学成分的整体差异性较大,该结果可为进一步研究掺假酸枣仁及不同产地酸枣仁的质量评价提供参考.

This study adopted headspace-gas chromatography-mass spectrometry(HS-GC-MS) and electronic nose to detect volatile components from Myristicae Semen samples with varying degrees of mildew, aiming at rapidly identifying odor changes and substance basis of Myristicae Semen mildew. The experimental data were analyzed by electronic nose and principal component analysis(PCA). The results showed that Myristicae Semen samples were divided into the following three categories by electronic nose and PCA: mildew-free samples, slightly mildewy samples, and mildewy samples. Myristicae Semen samples with different degrees of mildew greatly varied in volatile components. The volatile components in the samples were qualitatively and quantitatively detected by HS-GC-MS, and 59 compounds were obtained. There were significant differences in the composition and content in Myristicae Semen samples with different degrees of mildew. The PCA results were the same as those by electronic nose. Among them, 3-crene, D-limonene, and other terpenes were important indicators for the identification of mildew. Bicyclo[3.1.0]hexane, 4-methylene-1-(1-methylethyl)-, terpinen-4-ol, and other alcohols were key substances to distinguish the degree of mildew. In the later stage of mildew, Myristicae Semen produced a small amount of hydroxyl and aldehyde compounds such as acetaldehyde, 2-methyl-propionaldehyde, 2-methyl-butyraldehyde, and formic acid, which were deduced as the material basis of the mildew. The results are expected to provide a basis for the rapid identification of Myristicae Semen with different degrees of mildew, odor changes, and the substance basis of mildew.