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Apoptosis-inducing effects of aqueous extract of Eleutherococcus senticosus on non-small cell lung cancer cell proliferation 刺棘球菌水提物对非小细胞肺癌细胞增殖的诱导凋亡作用
IF 1.2 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-03-01 DOI: 10.1016/j.cjac.2025.100510
Xuekun KOU , Yufeng LI , Lei WANG , Xin SONG , Dan LI , Zhuo WANG , Yuanyuan ZHAO , Xiaohui ZHANG , Jingwu LI , Zhaobin XING
Non-small cell lung cancer is a malignant tumor with high morbidity and mortality worldwide. Eleutherococcus senticosus can induce apoptosis in non-small cell lung cancer cells, but the mechanism remains unclear. This study aimed to elucidate the role of Eleutherococcus senticosus in inducing apoptosis in non-small cell lung cancer cells and analyze its potential active constituents, targets, and molecular mechanisms. The results of network pharmacology analysis showed that Eleutherococcus senticosus contained 49 active ingredients that induced apoptosis in non-small cell lung cancer cells, and these components could act on 66 apoptosis-related targets. Compared to the control group, Eleutherococcus senticosus significantly increased apoptosis in A549 cells with increasing concentration (p < 0.05). The results of transcriptome and metabolomic analyses showed that Eleutherococcus senticosus significantly changed 5836 genes and 418 metabolites in A549 cells (p < 0.05), with the most significant changes in 18 genes and 34 metabolites related to apoptosis. qRT-PCR and Western blot results showed that, after Eleutherococcus senticosus treatment, the mRNA and protein expression of EGFR, MAPK3, and ICAM1 significantly increased, while CTSK decreased (p < 0.01 or p < 0.001). Correlation analysis and molecular docking results indicated that calycanthoside and oleanolic acid can directly modify the expression levels of the transcription factors POU2F3, FOXS1, and TGIF2LY or indirectly influence the binding affinity of these transcription factors to the promoters of key target genes, ultimately leading to the activation of EGFR, MAPK3, ICAM1, and CTSK, which triggers apoptosis in non-small cell lung cancer cells.
非小细胞肺癌是世界范围内发病率和死亡率较高的恶性肿瘤。刺棘球菌可诱导非小细胞肺癌细胞凋亡,但其机制尚不清楚。本研究旨在阐明刺痛棘球绦虫在诱导非小细胞肺癌细胞凋亡中的作用,并分析其潜在的活性成分、靶点和分子机制。网络药理学分析结果显示,刺痛刺球菌含有49种诱导非小细胞肺癌细胞凋亡的活性成分,这些成分可作用于66个凋亡相关靶点。与对照组相比,随着浓度的增加,刺痛棘球绦虫显著增加A549细胞的凋亡(p <;0.05)。转录组学和代谢组学分析结果显示,在A549细胞中,有5836个基因和418种代谢物发生了显著变化(p <;0.05),与细胞凋亡相关的18个基因和34个代谢物变化最为显著。qRT-PCR和Western blot结果显示,裸眼棘球蚴处理后,EGFR、MAPK3、ICAM1 mRNA和蛋白表达量显著升高,CTSK表达量显著降低(p <;0.01或p <;0.001)。相关分析和分子对接结果表明,花青素苷和齐墩果酸可以直接改变转录因子POU2F3、FOXS1和TGIF2LY的表达水平或间接影响这些转录因子与关键靶基因启动子的结合亲和力,最终导致EGFR、MAPK3、ICAM1和CTSK的激活,从而触发非小细胞肺癌细胞的凋亡。
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引用次数: 0
Design and performance study of fluorescent molecular probes based on Europium coordination compounds
IF 1.2 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-02-25 DOI: 10.1016/j.cjac.2025.100518
Xue WEI, Chunhui MA, Zhaojian ZHENG, Zhen WANG, Yuning LI, Weiwei SONG, Hua'e WANG, Xiao YIN, Yi LIU, Weizhao QI
In this study, the target compound CDA is synthesized through a nucleophilic addition reaction using 2-amino-6-chlorobenzothiazole and ethylenediaminetetraacetic dianhydride as raw materials. The structure of CDA is characterized via ultraviolet-visible (UV–Vis) and fluorescence spectroscopy, revealing its specificity for rare earth metal ions. Concentration titration, interference experiments, and reversibility tests further investigate the relationship between Eu³⁺ and the fluorescence intensity of the probe. The [CDA+Eu3+] system is then applied for antibiotic detection. Results demonstrate that CDA exhibits excellent specificity for Eu3+ in a DMSO/HEPES buffer (pH 7), with a rapid fluorescence enhancement at 617 nm upon Eu3+ addition. This response remains unaffected by other rare earth ions, achieving a detection limit of 0.054 µM. When detecting antibiotics, the [CDA+Eu3+] system specifically recognizes oxytetracycline, chlortetracycline hydrochloride, and tetracycline, inducing fluorescence quenching at 617 nm. Linear relationships are observed for these antibiotics with detection limits of 0.60, 0.48, and 0.59 µM, respectively. Interference experiments confirm that the recognition of tetracycline antibiotics is not compromised by coexisting antibiotics of other classes.
本研究以2-氨基-6-氯苯并噻唑和乙二胺四乙酸二酐为原料,通过亲核加成反应合成目标化合物CDA。利用紫外-可见光谱和荧光光谱对CDA的结构进行了表征,揭示了其对稀土金属离子的特异性。浓度滴定、干扰实验和可逆性实验进一步研究了Eu³⁺与探针荧光强度的关系。然后应用[CDA+Eu3+]系统进行抗生素检测。结果表明,CDA在DMSO/HEPES缓冲液(pH 7)中对Eu3+具有良好的特异性,在加入Eu3+后在617 nm处快速荧光增强。该响应不受其他稀土离子的影响,达到0.054µM的检测限。在检测抗生素时,[CDA+Eu3+]系统特异性识别土霉素、盐酸氯四环素和四环素,在617 nm处诱导荧光猝灭。这些抗生素的检出限分别为0.60、0.48和0.59µM,呈线性关系。干扰实验证实,对四环素类抗生素的识别不受其他类抗生素共存的影响。
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引用次数: 0
Supplemented Xijiao Dihuang Decoction alleviates sepsis via modulation of gut microbiota and metabolites: A multi-omics approach 补充西郊地黄汤通过调节肠道菌群和代谢物缓解脓毒症:一种多组学方法
IF 1.2 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-02-24 DOI: 10.1016/j.cjac.2025.100517
Aiping ZHANG , Xingxing HU , Zhenfeng LU , Haibin NI , Jingsheng GUO , Xiaofei HUANG , Yehong HU , Xiaoming YAO , Zhijun FANG , Lei WANG
Sepsis, a critical condition that is a leading cause of mortality in critically ill patients, involves complex interactions between host genetics and environmental factors. The present study evaluated the therapeutic efficacy and mechanisms of action of supplemented Xijiao Dihuang Decoction (SXJDHD), a traditional Chinese medicine (TCM) formula augmented with additional herbs, in treating sepsis. Using a multi-omics approach encompassing metabolomics and gut microbiota analysis, we investigated the effects of SXJDHD on sepsis outcomes. Network pharmacology analysis revealed that SXJDHD targets multiple pathways implicated in sepsis pathogenesis. In a mouse model of sepsis, SXJDHD significantly improved survival rates, alleviated multi-organ damage, and reduced the levels of inflammatory cytokines TNF-α and IL-6. Additionally, SXJDHD modulated the gut microbiota, increasing the abundance of beneficial bacteria such as Bacteroides and Prevotellaceae UCG-001, while decreasing that of Helicobacter. Metabolomics analysis showed significant changes in microbial metabolites following SXJDHD intervention, suggesting modulation of the metabolome. Collectively, these findings indicate that SXJDHD exhibits therapeutic potential in sepsis through the regulation of gut microbiota and metabolites, providing insights into the mechanisms underlying its efficacy.
败血症是一种危重症,是危重症患者死亡的主要原因,涉及宿主遗传和环境因素之间复杂的相互作用。本研究评估了补益西郊地黄汤(SXJDHD)治疗败血症的疗效和作用机制。我们采用包括代谢组学和肠道微生物群分析在内的多组学方法,研究了 SXJDHD 对败血症结果的影响。网络药理学分析表明,SXJDHD 可靶向与败血症发病机制有关的多条通路。在脓毒症小鼠模型中,SXJDHD能显著提高存活率,减轻多器官损伤,并降低炎性细胞因子TNF-α和IL-6的水平。此外,SXJDHD 还能调节肠道微生物群,增加有益菌(如 Bacteroides 和 Prevotellaceae UCG-001)的数量,同时减少螺旋杆菌的数量。代谢组学分析表明,SXJDHD干预后微生物代谢物发生了显著变化,表明代谢组发生了改变。总之,这些研究结果表明,SXJDHD 通过调节肠道微生物群和代谢物对败血症具有治疗潜力,为了解其疗效机制提供了启示。
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引用次数: 0
Exploring the potential mechanism of Andrographis paniculata compounds against neurodegenerative diseases based on network pharmacology and molecular docking 基于网络药理学和分子对接探索穿心莲化合物抗神经退行性疾病的潜在机制
IF 1.2 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-02-23 DOI: 10.1016/j.cjac.2025.100514
Meili YANG , Hongbo WEI , Yuanzhen XU , Jinming GAO
Although research indicates that Andrographis paniculata (A. paniculata) and its bioactive components contribute to the therapeutic potential for Alzheimer's disease (AD) and Parkinson's disease (PD), the underlying mechanism still needs to be better understood. In the present study, the multi-target mechanism of A. paniculata was investigated using integrative research methods, and its potential application in preventing AD and PD was further explored. By using network pharmacology methods such as compound-target and target-pathway networks, 29 active compounds were screened from A. paniculata, resulting in 116 targets for AD and 90 targets for PD. Gene Ontology and Kyoto Encyclopedia of Genes and Genomes pathway enrichment analyses uncovered the pathways linking active compounds to AD and PD. These constituents involve multiple pathways, such as the response to drugs, response to lipopolysaccharide (LPS), negative regulation of apoptotic process, synaptic transmission. Molecular docking analysis revealed that wogonin had greater affinity for AD-related targets CYP1B1, PTGS2, and PTGS1, while oroxylin A had great affinity for PD-related targets ADORA1 and NOS2. Additionally, density functional theory calculations conducted on the bioactive compounds indicated that receptor-ligand interactions were the primary contributors to the electronic structure (HOMO, LUMO, HOMO-LUMO energy gap). Furthermore, in vitro experimental data indicated that andropanolide and deoxyelephantopin showed good anti-neuroinflammatory activity and neurotrophic activity, respectively. Overall, A. paniculata combats neurodegenerative diseases through its multi-component, multi-target, and multi-pathway actions. The repurposing and repositioning of traditional herbal medicines hold considerable significance. This study demonstrates that, in addition to its use in treating influenza, the traditional medicine A. paniculata also possesses significant potential in the treatment of neurodegenerative diseases.
虽然研究表明穿心莲(A. paniculata)及其生物活性成分对阿尔茨海默病(AD)和帕金森病(PD)有潜在的治疗作用,但其潜在机制仍有待进一步了解。本研究采用综合研究方法探讨了金针藤的多靶点作用机制,并进一步探讨其在预防AD和PD中的潜在应用。通过化合物-靶点网络、靶点-通路网络等网络药理学方法,从金针藤中筛选出29种活性化合物,得到116个AD靶点和90个PD靶点。基因本体和京都基因与基因组百科全书途径富集分析揭示了活性化合物与AD和PD的联系途径。这些成分涉及多种途径,如对药物的反应、对脂多糖(LPS)的反应、凋亡过程的负调控、突触传递等。分子对接分析显示,wogonin对ad相关靶点CYP1B1、PTGS2、PTGS1具有较强的亲和力,oroxylin A对pd相关靶点ADORA1、NOS2具有较强的亲和力。此外,对生物活性化合物进行的密度泛函理论计算表明,受体-配体相互作用是电子结构(HOMO, LUMO, HOMO-LUMO能隙)的主要贡献者。此外,体外实验数据表明,雄烷内酯和脱氧象皮苷分别具有良好的抗神经炎症活性和神经营养活性。总的来说,金针藤通过其多成分、多靶点和多途径的作用来对抗神经退行性疾病。传统草药的再利用和重新定位具有重要意义。本研究表明,除用于治疗流感外,传统药物A. paniculata在治疗神经退行性疾病方面也具有显著的潜力。
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引用次数: 0
An exploratory study on the molecular targets and interaction mechanisms of citri reticulatae pericarpium (CRP) in the treatment of chronic obstructive pulmonary disease (COPD) based on GEO combined with bioinformatics 基于GEO结合生物信息学的柑橘网皮(citri reticulatae pericarpium, CRP)治疗慢性阻塞性肺疾病(COPD)的分子靶点及相互作用机制探索性研究
IF 1.2 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-02-22 DOI: 10.1016/j.cjac.2025.100516
Jia JIA , Enzhong CUI , Si LI , Bingjie LI , Qin GE
Chronic obstructive pulmonary disease (COPD) is one of the diseases with the highest morbidity and mortality rates in the world, and has received great attention from the global healthcare system. Citri reticulatae pericarpium (CRP) has the effect of relieving cough and reducing phlegm, and has significant therapeutic effects in the treatment of COPD, but its mechanism of action is still unclear. In this paper, the chemical composition of CRP was identified by ultra-high performance liquid chromatography with quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS) and the mechanism of action of CRP in the treatment of COPD was elucidated by data mining combined with bioinformatics. Studies have shown that CRP mainly regulates signaling pathways such as hypoxia-inducible factor 1 (HIF-1), nuclear factor-κB (NF-κB), and vascular endothelial growth factor (VEGF), and treats COPD through anti-inflammation and regulating oxygen homeostasis in the body. Its main targets include ESR1, CCNB1, ABCB1, etc. These targets have the potential to diagnose COPD (AUC > 0.8). Molecular docking showed that the components of CRP bind tightly to the target (binding energy < –6.7 kcal/mol). This study systematically reveals the molecular mechanism of CRP in treating COPD through the synergistic action of "multi-component-multi-target-multi-pathway", providing a theoretical basis for the modernization of traditional Chinese medicine and laying a scientific foundation for the clinical treatment of COPD and the development of new drugs.
慢性阻塞性肺疾病(COPD)是世界上发病率和死亡率最高的疾病之一,受到全球医疗系统的高度重视。Citri reticulatae pericarpium(CRP)具有止咳化痰的功效,对治疗慢性阻塞性肺疾病有显著疗效,但其作用机制尚不清楚。本文采用超高效液相色谱-四极杆飞行时间质谱法(UPLC-Q-TOF-MS)鉴定了CRP的化学成分,并通过数据挖掘结合生物信息学阐明了CRP在治疗慢性阻塞性肺疾病中的作用机制。研究表明,CRP主要调节缺氧诱导因子1(HIF-1)、核因子κB(NF-κB)和血管内皮生长因子(VEGF)等信号通路,通过抗炎和调节体内氧平衡来治疗慢性阻塞性肺病。其主要靶点包括 ESR1、CCNB1、ABCB1 等。这些靶点具有诊断慢性阻塞性肺病的潜力(AUC > 0.8)。分子对接显示,CRP 的成分与靶点紧密结合(结合能< -6.7千卡/摩尔)。该研究系统揭示了CRP通过 "多组分-多靶点-多途径 "协同作用治疗慢性阻塞性肺疾病的分子机制,为中药现代化提供了理论依据,为慢性阻塞性肺疾病的临床治疗和新药研发奠定了科学基础。
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引用次数: 0
Analyze the application and mechanism of Traditional Chinese Medicine in chronic urticaria based on data mining and network pharmacology 基于数据挖掘和网络药理学分析中药在慢性荨麻疹中的应用及作用机制
IF 1.2 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-02-21 DOI: 10.1016/j.cjac.2025.100512
Yalan LUO , Yu ZHOU , Mingming SONG , Zihao ZOU , Wei CAO , Xin LI , Renhong WAN , Xuechun DAI , Ying LI
<div><h3>Objective</h3><div>Chronic urticaria (CU) is a prevalent skin condition. Increasing evidence supports the efficacy of traditional Chinese medicine (TCM) in its management. This study aims to identify the primary bioactive constituents and elucidate the potential molecular mechanisms of key TCM drug combinations for CU treatment, utilizing data mining, network pharmacology, and molecular docking.</div></div><div><h3>Methods</h3><div>Relevant TCM prescriptions for the treatment of CU were collected from multiple databases, including CNKI, VIP, Wan Fang Database, Embase, PubMed, and Web of Science. Data were analyzed using IBM SPSS Modeler 18.0 to identify core drug pairs with the highest confidence levels. Active ingredients and target predictions for these core drug pairs were determined using the TCMSP, BATMAN-TCM, HERB, and SwissTargetPrediction databases. CU-related targets were obtained from OMIM, DisGeNET, GeneCards, PharmGKB, CTD, and Drugbank, and intersected with disease targets retrieved from the GEO database. These targets were further intersected with drug targets and analyzed within the STRING database for protein-protein interaction (PPI) network analysis, visualized using Cytoscape 3.7.2, and core nodes in the network were identified using the CytoHubba plugin. The intersecting targets of drugs and diseases were subjected to GO and KEGG pathway analysis via the DAVID database and analyzed for their distribution across 84 target organs in the human body using the BioGps database. Molecular docking validation was performed using AutoDockTools 1.5.6, AutoDock Vina, and PyMOL software.</div></div><div><h3>Results</h3><div>Through the application of inclusion and exclusion criteria, 374 articles were identified, encompassing 344 prescriptions and 198 herbs. The core drug combination “Saposhnikoviae Radix-Schizonepetae Herba-Cicadae Periostracum” (FF-JJ-CT) with the highest confidence level was selected. A total of 45 active ingredients and 780 unique potential targets were screened, and 50 disease targets were obtained. Twelve targets at the intersection of herbs and diseases were identified. A PPI network was constructed, and seven core targets (VCAM1, STAT3, SELE, MYC, ITGB2, ICAM1, HIF1A) were screened based on degree centrality (DC) ≥ 10. GO and KEGG analyses revealed that the intersecting targets were primarily enriched in pathways related to cell adhesion molecules, the TNF signaling pathway, and the AGE-RAGE signaling pathway. The target organs were predominantly expressed in whole blood and the immune system (CD33+_Myeloid, CD14+_Monocytes, BDCA4+_DentriticCells, CD56+_NKCells). Molecular docking results indicated that the active ingredients Quercetin, Decursin, Andrographolide, and its derivative 14_deoxy_11_oxa_andrographolide from the “FF-JJ-CT” combination exhibited favorable binding activities with the core targets ICAM1, ITGB2, STAT3, SELE, and VCAM1.</div></div><div><h3>Conclusion</h3><div>Our work, employing data
目的慢性荨麻疹(CU)是一种常见的皮肤病。越来越多的证据支持中医药在其管理中的有效性。本研究旨在利用数据挖掘、网络药理学、分子对接等方法,鉴定CU治疗关键中药组合的主要生物活性成分,并阐明其潜在的分子机制。方法从中国知网(CNKI)、维普(VIP)、万方数据库、Embase、PubMed、Web of Science等数据库中收集治疗CU的相关中药方剂。采用IBM SPSS Modeler 18.0对数据进行分析,确定具有最高置信度的核心药物对。使用TCMSP、BATMAN-TCM、HERB和SwissTargetPrediction数据库确定这些核心药物对的有效成分和靶标预测。从OMIM、DisGeNET、GeneCards、PharmGKB、CTD和Drugbank中获得cu相关靶点,并与GEO数据库中检索的疾病靶点交叉。这些靶点进一步与药物靶点相交,并在STRING数据库中进行蛋白质-蛋白质相互作用(PPI)网络分析,使用Cytoscape 3.7.2进行可视化,并使用CytoHubba插件确定网络中的核心节点。通过DAVID数据库对药物和疾病的交叉靶点进行GO和KEGG通路分析,并使用BioGps数据库分析其在人体84个靶器官中的分布。使用AutoDockTools 1.5.6、AutoDock Vina和PyMOL软件进行分子对接验证。结果通过纳入和排除标准,共鉴定出374篇文献,其中处方344份,中药198份。选择置信度最高的核心药物组合“沙参-荆草-蝉皮”(FF-JJ-CT)。共筛选出45种有效成分和780个独特的潜在靶点,获得50个疾病靶点。确定了12个中草药与疾病交叉的靶点。构建PPI网络,根据度中心性(degree centrality, DC)≥10筛选出7个核心靶点(VCAM1、STAT3、SELE、MYC、ITGB2、ICAM1、HIF1A)。GO和KEGG分析显示,交叉靶点主要富集于与细胞粘附分子、TNF信号通路和AGE-RAGE信号通路相关的途径。靶器官主要在全血和免疫系统中表达(CD33+_Myeloid, CD14+_Monocytes, BDCA4+_DentriticCells, CD56+_NKCells)。分子对接结果表明,“ff - j - ct”组合的活性成分槲皮素、德库尔素、Andrographolide及其衍生物14_deoxy_11_oxa_andrographolide与核心靶点ICAM1、ITGB2、STAT3、SELE、VCAM1具有良好的结合活性。结论本研究运用数据挖掘和网络药理学技术,拓展了中医药在CU治疗中的应用,为中药衍生药物的发现和开发提供了一条有效途径。
{"title":"Analyze the application and mechanism of Traditional Chinese Medicine in chronic urticaria based on data mining and network pharmacology","authors":"Yalan LUO ,&nbsp;Yu ZHOU ,&nbsp;Mingming SONG ,&nbsp;Zihao ZOU ,&nbsp;Wei CAO ,&nbsp;Xin LI ,&nbsp;Renhong WAN ,&nbsp;Xuechun DAI ,&nbsp;Ying LI","doi":"10.1016/j.cjac.2025.100512","DOIUrl":"10.1016/j.cjac.2025.100512","url":null,"abstract":"&lt;div&gt;&lt;h3&gt;Objective&lt;/h3&gt;&lt;div&gt;Chronic urticaria (CU) is a prevalent skin condition. Increasing evidence supports the efficacy of traditional Chinese medicine (TCM) in its management. This study aims to identify the primary bioactive constituents and elucidate the potential molecular mechanisms of key TCM drug combinations for CU treatment, utilizing data mining, network pharmacology, and molecular docking.&lt;/div&gt;&lt;/div&gt;&lt;div&gt;&lt;h3&gt;Methods&lt;/h3&gt;&lt;div&gt;Relevant TCM prescriptions for the treatment of CU were collected from multiple databases, including CNKI, VIP, Wan Fang Database, Embase, PubMed, and Web of Science. Data were analyzed using IBM SPSS Modeler 18.0 to identify core drug pairs with the highest confidence levels. Active ingredients and target predictions for these core drug pairs were determined using the TCMSP, BATMAN-TCM, HERB, and SwissTargetPrediction databases. CU-related targets were obtained from OMIM, DisGeNET, GeneCards, PharmGKB, CTD, and Drugbank, and intersected with disease targets retrieved from the GEO database. These targets were further intersected with drug targets and analyzed within the STRING database for protein-protein interaction (PPI) network analysis, visualized using Cytoscape 3.7.2, and core nodes in the network were identified using the CytoHubba plugin. The intersecting targets of drugs and diseases were subjected to GO and KEGG pathway analysis via the DAVID database and analyzed for their distribution across 84 target organs in the human body using the BioGps database. Molecular docking validation was performed using AutoDockTools 1.5.6, AutoDock Vina, and PyMOL software.&lt;/div&gt;&lt;/div&gt;&lt;div&gt;&lt;h3&gt;Results&lt;/h3&gt;&lt;div&gt;Through the application of inclusion and exclusion criteria, 374 articles were identified, encompassing 344 prescriptions and 198 herbs. The core drug combination “Saposhnikoviae Radix-Schizonepetae Herba-Cicadae Periostracum” (FF-JJ-CT) with the highest confidence level was selected. A total of 45 active ingredients and 780 unique potential targets were screened, and 50 disease targets were obtained. Twelve targets at the intersection of herbs and diseases were identified. A PPI network was constructed, and seven core targets (VCAM1, STAT3, SELE, MYC, ITGB2, ICAM1, HIF1A) were screened based on degree centrality (DC) ≥ 10. GO and KEGG analyses revealed that the intersecting targets were primarily enriched in pathways related to cell adhesion molecules, the TNF signaling pathway, and the AGE-RAGE signaling pathway. The target organs were predominantly expressed in whole blood and the immune system (CD33+_Myeloid, CD14+_Monocytes, BDCA4+_DentriticCells, CD56+_NKCells). Molecular docking results indicated that the active ingredients Quercetin, Decursin, Andrographolide, and its derivative 14_deoxy_11_oxa_andrographolide from the “FF-JJ-CT” combination exhibited favorable binding activities with the core targets ICAM1, ITGB2, STAT3, SELE, and VCAM1.&lt;/div&gt;&lt;/div&gt;&lt;div&gt;&lt;h3&gt;Conclusion&lt;/h3&gt;&lt;div&gt;Our work, employing data ","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 4","pages":"Article 100512"},"PeriodicalIF":1.2,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143620430","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Rapid evaluation method for oil-gas separation membrane utilizing mass spectrometry 油气分离膜质谱快速评价方法
IF 1.2 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-02-21 DOI: 10.1016/j.cjac.2025.100515
Haiyun SONG , Han WANG , Haobin WANG , Youjiang LIU , Shaomin LIU , Chilai CHEN
A rapid evaluation method for the permeation performance of oil-gas separation membrane was proposed, utilizing membrane inlet mass spectrometry technology to simultaneously measure the permeation flux of various dissolved gases. This method enables the rapid measurement of membrane permeability coefficient, selectivity and particularly, membrane response time. Permeation performance comparisons were conducted for perfluoro-2,2-dimethyl-1,3-dioxolane-tetrafluoroethylene copolymer (AF2400), fluorinated ethylene propylene (FEP), polydimethylsiloxane (PDMS) and perfluoro-2-dimethyl-5,5-dimethyl-1,3-dioxolane-tetrafluoroethylene copolymer (PT610) membranes, and the effects of oil feeding rate and concentration on PT610 membrane permeation flux were investigated. The results indicated that the selectivity and permeability of different membranes varied. PT610 and AF2400 membrane exhibited high permeability to the main air components, including CH4, H2O, N2, O2, Ar and CO2. PDMS membrane showed high permeability only to CH4 and H2O, while FEP membrane demonstrated relatively low permeability across all gases. Additionally, different membranes displayed varying response time to the same substance, and the response time for the same membrane varied slightly for different substances. Specifically, PDMS and AF2400 membrane response time of approximately 2 and 3 min, respectively, while PT610 membrane response time was around 1 min, and FEP membrane showed no response. Compared to traditional method based on osmotic equilibrium time, the proposed method reduces the measurement time significantly.
提出了一种快速评价油气分离膜渗透性能的方法,利用膜入口质谱技术同时测量各种溶解气体的渗透通量。这种方法可以快速测量膜的渗透系数、选择性,特别是膜的响应时间。对全氟-2,2-二甲基-1,3-二氧索烷-四氟乙烯共聚物(AF2400)、氟化乙丙烯(FEP)、聚二甲基硅氧烷(PDMS)和全氟-2-二甲基-5,5-二甲基-1,3-二氧索烷-四氟乙烯共聚物(PT610)膜的渗透性能进行了比较,并考察了进油速率和浓度对PT610膜渗透通量的影响。结果表明,不同膜的选择性和通透性不同。PT610和AF2400膜对CH4、H2O、N2、O2、Ar和CO2等主要空气组分具有较高的透性。PDMS膜仅对CH4和H2O具有较高的透性,而FEP膜对所有气体的透性相对较低。此外,不同膜对同一物质的反应时间不同,同一膜对不同物质的反应时间略有不同。其中,PDMS和AF2400膜响应时间分别约为2 min和3 min,而PT610膜响应时间约为1 min, FEP膜无响应。与传统的基于渗透平衡时间的方法相比,该方法显著缩短了测量时间。
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引用次数: 0
Detection of Alzheimer's disease based on microfluidic technology: Technical principles, tubular structures and testing samples 基于微流控技术的阿尔茨海默病检测:技术原理、管状结构和测试样品
IF 1.2 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-02-13 DOI: 10.1016/j.cjac.2025.100509
Xinxiang SU , Junjun PU , Jinxia LIAO , Zhen WU
Alzheimer's disease (AD), a neurodegenerative ailment severely threatening human health, has numerous patients globally. The patient count rises with the aging population, burdening families and society. Lacking effective treatments currently, early screening and diagnosis of AD are of utmost importance. Microfluidic technology (MFC) offers new prospects for AD detection, featuring miniaturization and high detecting flux. This review focuses on AD detection methods based on MFC. Categorized by technical principles, they include electrochemical, optical, bioaffinity chromatography, and integrations with other techniques, each with pros and cons. In terms of tubular structures, there are single-channel, multi-channel array, microchannel-reaction chamber combinations, and others, fulfilling different detection needs. Regarding testing samples, they span protein, gene, cell, blood, and tissue samples. Despite challenges in each sample's detection, all hold potential. The MFC develops rapidly with great potential in AD screening and diagnosis. However, issues like accuracy, cost, and operational complexity remain. Future efforts should focus on optimizing technologies and methods, exploring multidisciplinary integrations, combinations, and personalized detection schemes to achieve precise and efficient early screening and diagnosis, thus aiding AD treatment and prevention.
阿尔茨海默病(AD)是一种严重威胁人类健康的神经退行性疾病,全球患者众多。随着人口老龄化,患者数量不断增加,给家庭和社会带来了负担。目前缺乏有效的治疗方法,早期筛查和诊断AD至关重要。微流控技术(MFC)具有小型化和高检测通量的特点,为AD检测提供了新的前景。本文综述了基于MFC的AD检测方法。根据技术原理分类,它们包括电化学、光学、生物亲和色谱以及与其他技术的集成,每种技术都有其优点和缺点。在管状结构方面,有单通道、多通道阵列、微通道-反应室组合等,以满足不同的检测需求。关于测试样本,它们包括蛋白质、基因、细胞、血液和组织样本。尽管每种样品的检测都存在挑战,但它们都有潜力。MFC在阿尔茨海默病的筛查和诊断方面发展迅速,具有很大的潜力。然而,准确性、成本和操作复杂性等问题仍然存在。未来应进一步优化技术和方法,探索多学科的整合、组合和个性化检测方案,实现精准、高效的早期筛查和诊断,从而帮助阿尔茨海默病的治疗和预防。
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引用次数: 0
Extraction, structural characterization and biological activities of exopolysaccharides from Ruditapes philippinarum 菲律宾竹外多糖的提取、结构表征及生物活性研究
IF 1.2 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-02-11 DOI: 10.1016/j.cjac.2025.100508
Hongjie SHAN , Guoqiang CHEN , Wenxue DAI , Xuedong CHEN , Sheng DONG , Yuxi WEI , Haibo ZHANG
This study investigated the extraction, structural characterization and biological activities of exopolysaccharides from clam meat. The aim of this is to develop low-cost and novel animal polysaccharides with potential medicinal or health benefits. A crude polysaccharide yield of 10 g/100 g was extracted by the ultrasonic-assisted method. Two fraction exopolysaccharides (RPP-1A and RPP-2A) were obtained through DEAE-52 column chromatography and HW-65F column. Glc, GalA, GlcA, Rha and Rib were the main monosaccharides components of RPP-1A, whereas RPP-2A was primarily composed of GlcA, Rha and Rib. RPP-1A and RPP-2A were further investigated using Fourier transformed infrared (FT-IR) and nuclear magnetic resonance (NMR) that the results showed that RPP-1A comprised a main chain of residues represented as: [→6-α-Glc-(1 → 4)-β-GalA-(1 → 6)-α-Glc-(1 → 4)-β-GalA-(1→]. The side chain repeating unit structure is [β-GlcA-(1 → 4)-α-Glc-(1 → 3)-α-Rib-(1 → 4)-α-Rha-(1→], attached to the main chain at the C-2 position of Glc. RPP-2A represents the side chain portion of RPP-1A [β-GlcA-(1 → 4)-α-Glc-(1 → 3)-α-Rib-(1 → 4)-α-Rha-(1→]. Scanning electron microscopy (SEM) analysis revealed that the characteristic morphology of different fractions. X-ray diffraction showed that the polysaccharides consisted of crystalline and amorphous regions. Furthermore, assays of antioxidant activity showed that any one of RPP-1A and RPP-2A had antioxidant effects against DPPH radical, ABTS radical cation, hydroxyl radical, among which RPP-2 was stronger. In addition, they significantly inhibited the proliferation of Hela, and HepG2 cancer cells, and HepG2 was more sensitive to RPP-2A. In general, the results demonstrated that RPPs had great potential as a natural antioxidant in the functional food, and they are promising candidates for cancer treatment.
研究了蛤肉外多糖的提取、结构表征及生物活性。其目的是开发具有潜在药用或保健价值的低成本和新型动物多糖。超声辅助法提取粗多糖得率为10 g/100 g。通过DEAE-52柱层析和HW-65F柱层析,得到了两个分离的胞外多糖(RPP-1A和RPP-2A)。RPP-1A的主要单糖成分为Glc、GalA、GlcA、Rha和Rib,而RPP-2A的主要单糖成分为GlcA、Rha和Rib。利用傅里叶变换红外(FT-IR)和核磁共振(NMR)进一步研究了RPP-1A和RPP-2A,结果表明RPP-1A由一个主残基链组成,表示为:[→6-α- glc -(1→4)-β- gala -(1→6)-α- glc -(1→4)-β- gala -(1→)]。侧链重复单元结构为[β-GlcA-(1→4)-α-Glc-(1→3)-α- rib -(1→4)-α- rha -(1→)],连接在Glc的C-2位主链上。RPP-2A代表RPP-1A的侧链部分[β-GlcA-(1→4)-α- glc -(1→3)-α- rib -(1→4)-α- rha -(1→)]。扫描电镜(SEM)分析显示了不同组分的特征形貌。x射线衍射表明多糖由结晶区和无定形区组成。抗氧化活性测定表明,RPP-1A和RPP-2A对DPPH自由基、ABTS自由基阳离子、羟基自由基均有较强的抗氧化作用,其中RPP-2较强。此外,它们还能显著抑制Hela、HepG2癌细胞的增殖,且HepG2对RPP-2A更为敏感。综上所述,RPPs作为一种天然抗氧化剂在功能性食品中具有很大的潜力,是治疗癌症的有希望的候选者。
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引用次数: 0
Simultaneous qualitative and quantitative analysis to explore the material basis for different formulations of Dachengqi decoction to produce different efficacy by UPLC-QTOF-MS and UFLC-QQQ-MS 采用UPLC-QTOF-MS和UFLC-QQQ-MS同时进行定性和定量分析,探讨大承气汤不同配方产生不同疗效的物质基础
IF 1.2 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-02-01 DOI: 10.1016/j.cjac.2024.100488
Hai-Zhen LI , Yan LOU , Ying-Ying SHU , Wan-Ting JIN , Xiao-Xuan YAO , Jie SONG , Yin-Fang CHEN , Bin NIE
Dachengqi Decoction (DCQD) is a well-known prescription of catharsis in “Shang Han Lun”, composed of 4 traditional Chinese medical ingredients: Radix et Rhizoma Rhei (Dahuang), Cortex Magnoliae officinalis (Houpo), Fructus Aurantii Immaturus (Zhishi) and Natrii Sulfas (Mangxiao). Due to the complexity of its composition and inconsistencies in the traditional decocting process, maintaining the quality and exploring the material basis for efficacy of DCQD are challenging. In this study, we established an integrating ultra-high-performance liquid chromatography equipped with quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS) and ultra-fast-performance liquid chromatography equipped with triple quadrupole mass spectrometry (UFLC-QQQ-MS) method to perform qualitative and quantitative analyses of different DCQD formulations. The methods of quality control and content detection of the main components of different formulations were improved by optimizing the parameters of mobile phase composition, gradient and velocity. By optimizing of the method, the separation ability of structurally similar substances such as aloe-emodin, emodin and Apigenin is greatly improved. As a result, in the qualitative analysis, 190 components were detected of which 27 compounds were unambiguously identified by comparison with reference compounds by chromatographic behavior and mass spectrum, and the remaining compounds were tentatively assigned by comparison with fragmentation pathways and characteristic fragment ions in published literature or known databases. In the quantitative analysis, the contents of 19 key ingredients across 10 formulations were determined. The results showed that some components were roughly distributed according to the proportion of Chinese herbs, such as rhein, gallic acid, physcion, hesperetin and limonin. However, the distribution of most components differed greatly from that of Chinese herbs, such as emodin, hesperidin, synephrine and honokiol, producing solubilization effect or inhibition of dissolution effect, which could explainned the varied effects of different formulations in treating conditions like intestinal obstruction and pancreatitis. This study provides a simple, fast and accurate method to identify and quantify the main components in DCQD, and makes preparations for exploring the mechanism of different formulations of DCQD to produce different efficacy in gastrointestinal disease.
大承气汤(DCQD)是《尚寒论》中著名的通便方剂,由大黄、厚朴、枳实、芒草4种中药成分组成。由于其成分复杂,传统煎制工艺不一致,保持其质量和探索其功效的物质基础具有挑战性。本研究建立了超高效液相色谱-四极杆飞行时间质谱联用(UPLC-Q-TOF-MS)和超快速液相色谱-三重四极杆质谱联用(UFLC-QQQ-MS)相结合的方法,对不同配方的DCQD进行定性和定量分析。通过优化流动相组成、梯度和流速等参数,改进了不同配方中主要成分的质量控制和含量检测方法。通过对方法的优化,大大提高了芦荟大黄素、大黄素、芹菜素等结构相似物质的分离能力。结果,在定性分析中,共检测到190个成分,其中27个化合物通过色谱行为和质谱与参比化合物的比较得到了明确的鉴定,其余化合物通过与已发表文献或已知数据库中的碎片路径和特征碎片离子的比较初步确定。在定量分析中,测定了10个配方中19种关键成分的含量。结果表明,部分成分大致按中草药的比例分布,如大黄酸、没食子酸、百思力、橙皮苷和柠檬苦素。但大黄素、橙皮苷、辛佛林、厚朴酚等大部分成分的分布与中草药有较大差异,产生增溶作用或抑制溶出作用,这可以解释不同剂型治疗肠梗阻、胰腺炎等疾病的效果差异。本研究为鉴别和定量DCQD中主要成分提供了一种简单、快速、准确的方法,为探究DCQD不同配方对胃肠道疾病产生不同疗效的机理做了准备。
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引用次数: 0
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Chinese Journal of Analytical Chemistry
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