Chinese Journal of Analytical Chemistry最新文献

{"title":"Study on the differences of active ingredients among different medicinal parts of Angelica sinensis (Oliv.) based on LC-MS combined with multivariate statistical analysis","authors":"Weibo QIN ,&nbsp;Haipeng TANG ,&nbsp;Xuehui TAO ,&nbsp;Yu GENG ,&nbsp;Mengjie TANG ,&nbsp;Kangyu WANG ,&nbsp;Guangzhi CAI ,&nbsp;Jiyu GONG ,&nbsp;Yunlong GUO ,&nbsp;Xiangzhu YAN ,&nbsp;Wenyi GAO","doi":"10.1016/j.cjac.2024.100486","DOIUrl":"10.1016/j.cjac.2024.100486","url":null,"abstract":"<div><div><em>Angelica sinensis</em> (Oliv.) Diels (DG). has a history of medicinal use for thousands of years. In order to meet clinical needs, it is often divided into DG head, body, tail, and whole DG for use, which means that there are differences between different parts. However, in the existing literature, there are few studies on different parts of DG, and they only compare the differences of a single chemical component in different parts of DG, and do not comprehensively analyze the differences of other components. Therefore, an ultra-high performance liquid chromatography-quadrupole orbitalrap mass spectrometry (UHPLC-Q-Orbitrap/MS) based combined with an untargeted metabolomics approach was used to compare the diversity of chemical constituents in different parts of DG. After multivariate statistical analysis, 537 differential compounds were screened, and 85 metabolites including 36 phthalides, 10 organic acids, 8 fatty acids, 6 amino acids, 4 coumarins, 4 esters, 3 phenylpropanoids, and 14 others were finally identified. After comparative analysis, the distribution of various components in different parts can be clarified. This study not only compared the differences in the chemical composition of different parts of DG, but also analyzed the relationship between important components and pharmacological effects in different parts, which provided a basis for more rational use of different parts of DG.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 1","pages":"Article 100486"},"PeriodicalIF":1.2,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143177959","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}

{"title":"The interaction of enzymes with environmental factors and their effect on function","authors":"Waleed N. AL-DARKAZALI","doi":"10.1016/j.cjac.2024.100467","DOIUrl":"10.1016/j.cjac.2024.100467","url":null,"abstract":"<div><div>In eukaryotic cells, a large number of proteins are transported to the 26S proteasome after modification with ubiquitin by special substrate receptors. The AAA-ATPase CDC48, its cofactors and other ubiquitin-binding factors appear to be involved in this process. However, the exact function of CDC48 and the interaction of the factors in degradation processes are not yet sufficiently understood. In this work, it was shown for the first time that the factors of substrate recruitment, multiubiquitylation and substrate transfer to the proteasome physically interact and form a network that specifically directs substrates to the proteasome. CDC48 plays a central role in this degradation pathway, as it works with the help of the cofactors UFD1/NPL4 in the recognition and transfer of the substrate to the E4 enzyme UFD2. Furthermore, CDC48 terminates ubiquitylation, which counteracts excessive formation of non-linear ubiquitin chains and thus optimizes the degradation process. Multiubiquitylation by UFD2 is coupled to the proteasome via the receptor proteins RAD23 and DSK2. The substrate is transported to the proteasome in a concerted mechanism that occurs via ternary complexes of RAD23, UFD2 and CDC48 or through association of the ubiquitin-binding factors involved on the proteasome. The substrate ubiquitylated by UFD2 in the presence of CDC48 can be specifically bound via the UBA domains of the receptors RAD23 and DSK2 and transferred to the proteasome. <em>In vivo</em>, the degradation pathway shown controls the inactivation of the transcription factor SPT23, which is significantly degraded via this UFD2-dependent degradation pathway. In addition, SPT23 appears to be degraded via a parallel degradation pathway using the protein RPN10. The proteolysis of misfolded proteins of the endoplasmic reticulum (ERAD) also occurs via the degradation pathway shown here.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 1","pages":"Article 100467"},"PeriodicalIF":1.2,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143177962","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}

{"title":"Synthesis and characterization of folic acid-modified polyethylene glycol-coated holmium nanoparticles as targeted magnetic resonance imaging agent candidate","authors":"Retna Putri FAUZIA ,&nbsp;Ayu Jelita SINAMBELA ,&nbsp;Zahra AFRIANI ,&nbsp;Qi JIA ,&nbsp;Husein H. BAHTI ,&nbsp;Santhy WYANTUTI","doi":"10.1016/j.cjac.2024.100478","DOIUrl":"10.1016/j.cjac.2024.100478","url":null,"abstract":"<div><div>This study demonstrates a new candidate for targeted magnetic resonance imaging (MRI) contrast agent (CA) based on holmium nanoparticles. MRI is one of the most powerful diagnostic tools in cancer diagnosis which enables anatomical images of soft tissues with a resolution much higher than other imaging techniques. Holmium has been known for its high magnetic moment which can improve MRI signals as T2-MRI CA. This research focuses on modifying folic acid (FA) on the surface of polyethyelene glycol coated- holmium nanoparticles to deliver holmium nanoparticles selectively to the cancer-overexpressed FA receptors, such as cervical cancer. Their preparation and characterization with several analytical instruments such as transmission electron microscopy to observe their shape and size, thermal gravimetric analysis, ultraviolet and infrared spectroscopies to investigate the FA and polyethylene glycol molecules on nanoparticles are also included. From the results, morphology images show a narrow size distribution below 20 nm after the functionalization of polyethyelene glycol-coated holmium nanoparticles with and without FA modification. Based on ultraviolet and infrared spectrum analysis, the presences of FA and polyethylene glycol molecules on nanoparticles were also identified. The typical peaks of FA at around 280 and 360 nm were found on FA-modified nanoparticles spectras. In addition, infrared spectroscopy results at around 2800 cm^–1 originated from polyethylene glycol molecules on nanoparticles was also observed. Furthermore, based on a preliminary cytotoxicity study, there are no significant differences between polyethylene glycol-coated nanoparticles modified with and without FA in terms of toxicity. Based on these results, FA-modified holmium nanoparticles showed promising preliminary results to be utilized as targeted MRI CA for diagnostic purposes.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 1","pages":"Article 100478"},"PeriodicalIF":1.2,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143177961","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}

{"title":"SERS and fluorescence dual-mode sensing strategy based on competitive host-guest interaction for cholesterol and amantadine detection","authors":"Zhanye YANG ,&nbsp;Haiyang LV ,&nbsp;Nan ZHANG ,&nbsp;Xinge JU ,&nbsp;Ziwei ZHANG ,&nbsp;Xiang CUI ,&nbsp;Yuan TIAN ,&nbsp;Daqian SONG","doi":"10.1016/j.cjac.2024.100480","DOIUrl":"10.1016/j.cjac.2024.100480","url":null,"abstract":"<div><div>Cholesterol is currently most detected by enzyme immunoassay, which is expensive and complicated. Therefore, it is necessary to develop new simple and effective non-enzymatic methods for cholesterol detection. Cholesterol and amantadine have small Raman cross sections and low affinity for metal surfaces, seriously limiting direct and effective SERS detection. Based on competitive interactions between target substances and R6G in β-cyclodextrin (β-CDs) cavities on the surface of cyclodextrin functionalized silver nanoparticles (Ag-β-CDs), a sensor was designed for detecting cholesterol and amantadine by surface enhanced Raman spectroscopy (SERS) and fluorescence (FL) dual modes. R6G entered hydrophobic cavities of Ag-β-CDs through hydrophobic interaction to form host-guest inclusion complexes resulting in fluorescence quenching, adding competitive guest cholesterol or amantadine that bound more strongly to cyclodextrins replaced R6G and recovered its fluorescence. Meanwhile, Ag-β-CDs were also used as SERS substrates. One cholesterol forms more stable inclusion complexes with two Ag-β-CDs nanoparticles, causing some degree of Ag-β-CDs aggregation and generating hot spots to enhance SERS signals of free R6G; Spatial structure of amantadine and extremely strong binding to β-CDs made it bind to only one β-CD, competing out R6G molecules to keep them away from electromagnetic-enhanced regions, and SERS signals weakened. In addition, the dual-mode sensing strategy was successfully applied to detect cholesterol and amantadine in real samples, and the two sets of data obtained complemented and verified each other with the advantages of high accuracy and sensitivity, which has great application prospects in disease surveillance and drug control.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 1","pages":"Article 100480"},"PeriodicalIF":1.2,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143176548","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}

{"title":"UHPLC-MS/MS method for simultaneous determination of tacrolimus, Cyclosporine A, sirolimus and Everolimus in human blood and clinical application","authors":"Jiaqing WANG ,&nbsp;Tongtong LIU ,&nbsp;Dongjie ZHANG ,&nbsp;Jian LI ,&nbsp;Xiao NING ,&nbsp;Zhigang ZHAO ,&nbsp;Shenghui MEI","doi":"10.1016/j.cjac.2024.100476","DOIUrl":"10.1016/j.cjac.2024.100476","url":null,"abstract":"<div><div>The whole blood concentrations of Tacrolimus, Cyclosporine A, Sirolimus, and Everolimus are critical for managing organ transplant rejection, hypersensitivity reactions, and autoimmune diseases. Routine monitoring of these immunosuppressive drugs aids in dose adjustment and toxicity prevention. An ultra-high performance liquid chromatography-tandem mass spectrometry (UHPLC-MS/MS) method for simultaneous determination of whole blood Tacrolimus, Cyclosporine A, Sirolimus, and Everolimus was developed, validated, and applied in clinical samples. The ion transitions were <em>m/z</em> 821.5 &gt; 768.4 for Tacrolimus, <em>m/z</em> 1219.7 &gt; 1208.8 for Cyclosporine A, <em>m/z</em> 931.5 &gt; 864.5 for Sirolimus, and <em>m/z</em> 975.6 &gt; 908.4 for Everolimus. The flow rate was 0.6 mL/min with a run time of 3.5 min. The calibration ranges were 1.25–42.9 ng/mL for Tacrolimus, 21.7–1270 ng/mL for Cyclosporine A, 1.38–45.6 ng/mL for Sirolimus, and 1.22–44.6 ng/mL for Everolimus, respectively. The intra-day and inter-day inaccuracy and imprecision were within ±15 % for all analytes. Consistent internal standard -normalized recovery and minimal matrix effects were observed at all quality control levels. The UHPLC-MS/MS method offers significant advantages over traditional immunoassays and HPLC methods, including higher specificity, sensitivity, and the ability to detect multiple drugs simultaneously. It simplifies therapeutic drug monitoring (TDM) procedures, increases detection throughput, and supports optimizing immunosuppressive therapy and improving patient outcomes.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 1","pages":"Article 100476"},"PeriodicalIF":1.2,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143177963","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}

{"title":"A new 3D printing milli-fluidic device with integrated nanojunction for on-site colorimetric analysis of iron in water and soil samples","authors":"Zaidon T. AL-AQBI ,&nbsp;Abdulkarim ALBISHRI ,&nbsp;Farah H. HUSSEIN ,&nbsp;Salim ALBUKHATY ,&nbsp;Ghassan M. SULAIMAN ,&nbsp;Khalil A． A. KHALIL ,&nbsp;Elsadig Mohamed AHMED","doi":"10.1016/j.cjac.2024.100475","DOIUrl":"10.1016/j.cjac.2024.100475","url":null,"abstract":"<div><div>Fabrication and bonding represent significant challenges in the production of micro- and milli-fluidic devices with integrated functions. Here, to investigate the formation of nanojunction through controlled dielectric breakdown, a thermoplastic material was utilized to create a three-dimensional (3D) printed milli-fluidic device. The device was constructed using a fused deposition modeling 3D printer with acrylonitrile butadiene styrene (ABS). With the application of a voltage between 20 and 25 kV, which was cut off when the current threshold was reached, a controlled dielectric breakdown was used to create a nanojunction in the thin slice of ABS. Both altering the current threshold and the electrolyte ionic strength used for breakdown allowed for different sizes of the nanojunction to be created. The size and transport characteristics of the nanojunctions were observed using electrophoretic transport of two proteins: fluorescamine-labeled bovine serum albumin (f-BSA; 2–4 nm) and R-phycoerythrin (RPE; &lt;10 nm in size), and a small molecule (fluorescein, ∼0.5–1.0 nm) and ions (thiocyanate, ∼0.3 nm). Colorimetric measurement of iron from water and soil slurry samples was utilized to examine the suitability of the 3D-printed device for on-site analysis. Samples were freshly introduced to the 3D-printed milli-fluidic device after Fe³⁺ was reduced to Fe²⁺ using hydroxylammonium chloride. The nanojunction captured particle matter, allowing for particulate-free smartphone camera detection for imaging the orange-brown complex produced using 1,10-phenanthroline. The calibration curve covered 1 to 100 μg/mL of Fe²⁺ using the 3D printed device, which showed good agreement (97.5 %) with ICP-MS.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 1","pages":"Article 100475"},"PeriodicalIF":1.2,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143178533","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}

{"title":"Advances in rapid detection methods for African swine fever virus","authors":"Xinyu GU ,&nbsp;Xiyao YIN ,&nbsp;Luelue HUANG ,&nbsp;Mubashir HUSSAIN ,&nbsp;Wei JI ,&nbsp;Lijun ZHANG ,&nbsp;Yongjun TANG","doi":"10.1016/j.cjac.2024.100479","DOIUrl":"10.1016/j.cjac.2024.100479","url":null,"abstract":"<div><div>In 2018, China encountered its maiden case of African swine fever virus (ASFV), and subsequently, the epidemic swiftly disseminated across over 30 provinces nationwide. Due to the incomplete understanding of its pathogenic mechanisms, lack of effective treatments, vaccines, and rapid detection technology for ASFV has become a crucial tool for the aquaculture industry to identify and prevent outbreaks timely. As biotechnology and medical sciences advance, the detection methods for ASFV are also continually developing and improving. The advent of portable instruments and other mobile testing equipment has enabled ASFV detection beyond traditional laboratory settings, enhancing the efficiency and timeliness of testing. This paper reviews the epidemiology and virus structure of ASFV, discusses traditional detection methods both domestically and internationally, and presents the latest advancements in new rapid detection techniques. Furthermore, the application prospects of these rapid virus detection methods are explored to provide a reference for the early detection and diagnosis of ASFV.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 4","pages":"Article 100479"},"PeriodicalIF":1.2,"publicationDate":"2024-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143683793","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}

{"title":"Identifying the active antioxidant ingredients in Arisaema Cum Bile aqueous extract on the basis of spectrum-effect relationships","authors":"Congyou DENG ,&nbsp;Xinhe LEI ,&nbsp;Minyou HE ,&nbsp;Guowei LI ,&nbsp;Xiangdong CHEN ,&nbsp;Dongmei SUN ,&nbsp;Qing DING ,&nbsp;Jiang MENG ,&nbsp;Xiaozhou JIA ,&nbsp;Minyu WANG","doi":"10.1016/j.cjac.2024.100453","DOIUrl":"10.1016/j.cjac.2024.100453","url":null,"abstract":"<div><div>At present, the research on <em>Arisaema Cum Bile</em> mainly focuses on the analysis of its components and changes in pharmacological effects. The chemical composition of the water extract, the material basis and mechanism of its anti-oxidation and anti-febrile convulsion are still unclear. In this study, fingerprint-pharmacological relationships were used to determine the pharmacodynamic and pharmacological material basis of the antioxidant effects of <em>Arisaema Cum Bile</em> aqueous extract.</div></div><div><h3>Methods</h3><div>The High Performance Liquid Chromatography (HPLC) fingerprint of the aqueous extract of <em>Arisaema Cum Bile</em> was established by determining the common peaks, recording the peak areas and evaluating the similarities between different batches. Moreover, the antioxidant capacity of each batch of processed <em>Arisaema Cum Bile</em> extracts was determined, and spectrum-effect relationship analysis and screening were conducted on the basis of the fingerprint. The antioxidant activities of the <em>Arisaema Cum Bile</em> aqueous extract ingredients were verified by evaluating the isolated compounds.</div></div><div><h3>Results</h3><div>The HPLC fingerprints of 15 batches of aqueous extracts of <em>Arisaema Cum Bile</em> aqueous extracts were established via ultraviolet (UV) and evaporative light scattering detection methods. There was a total of 22 common peaks, 11 of which were identified as uracil, hypoxanthine, xanthine, uridine, guanosine, adenosine, shaftoside, isoschaftoside, taurohyodeoxycholic acid, taurochenodeoxycholic acid and glycinechenodeoxycholic acid. Spectrum-effect relationship analysis revealed that shaftoside, isoschaftoside, taurochenodeoxycholic acid and glycochenodeoxycholic acid may be the active antioxidant ingredients in this extract, which was verified since all four ingredients displayed dose-dependent antioxidant effects when tested individually.</div></div><div><h3>Conclusion</h3><div>A fingerprint of the aqueous extract of <em>Arisaema Cum Bile</em> aqueous extract was established, the antioxidant capacities of the extracts were measured, and the active antioxidant ingredients were identified through spectrum-effect relationship analysis.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"52 12","pages":"Article 100453"},"PeriodicalIF":1.2,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142748479","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}

{"title":"Exploring the mechanism of Phyllanthus urinaria L. against ulcerative colitis based on network pharmacology and in vivo experiments","authors":"Qing LUO ,&nbsp;Jiaen HUANG ,&nbsp;Liu CAO ,&nbsp;Ximin WANG ,&nbsp;Gengting DONG ,&nbsp;Weibo DAI","doi":"10.1016/j.cjac.2024.100465","DOIUrl":"10.1016/j.cjac.2024.100465","url":null,"abstract":"<div><h3>Objective</h3><div>This study aims to explore the therapeutic effect and molecular mechanism of the aqueous extract of <em>Phyllanthus urinaria</em> L<em>.</em> (PUL) on ulcerative colitis (UC).</div></div><div><h3>Method</h3><div>PUL was administered to UC mice induced by 2.25 % DSS. The changes of body weight, disease activity index (DAI) score and colon length were recorded during the experiment. Hematoxylin and eosin (HE) staining was conducted for pathology analysis of the mice in each group. The contents of inflammatory cytokines in colon tissues were detected by Elisa. Additionally, ultra performance liquid chromatography quadrupole time-of-flight mass spectrometry (UPLC-TOF-MS/MS) method was employed to identify the main components of PUL<em>.</em> Then, the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP) database was utilized to explore the potential active ingredients and drug targets of PUL. The matching of drug targets and disease targets yielded cross targets, which were used to construct a protein-protein interaction (PPI) network in String. Key targets underwent Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis. Finally, Western blotting was performed to verify the key proteins expressions in the predicted pathway of network pharmacology and the expressions of tight junction proteins in the colon tissue.</div></div><div><h3>Result</h3><div>PUL has been found to effectively alleviate the symptoms such as weight loss, bloody stools, and colon shortening in mice with UC. Administration of PUL led to an increase in tight junction protein in the colonic tissue of mice, as compared to the model group. Elisa results revealed that PUL reduced the expression of pro-inflammatory factors in mice with UC. HE staining results show that PUL can alleviate colon tissue damage caused by UC. A total of 773 components were detected in the water extract of PUL, among which 26 components, including quercetin, epigallocatechin gallate and kaempferol, may possess anti-UC activity. Network pharmacology analysis suggested that PUL may play an anti-UC role by inhibiting tumor necrosis factor (TNF) pathway. Finally, Western blotting results confirmed that the PUL inhibited the TNF pathway and effectively treated UC.</div></div><div><h3>Conclusion</h3><div>These preliminary research results indicate that PUL has the potential to exhibit anti-inflammatory activity by inhibiting the TNF pathway, thereby alleviating symptoms associated with UC. Substances such as quercetin, epigallocatechin gallate and kaempferol in PUL are believed to play an important role in this process.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"52 12","pages":"Article 100465"},"PeriodicalIF":1.2,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143137373","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}

{"title":"Study on the anti-colon cancer effect of Renshen Yangrong decoction based on network pharmacology, molecular docking, and in vivo and in vitro experiments","authors":"Wen HE ,&nbsp;Jia-Le JU ,&nbsp;Ying-Hua WU ,&nbsp;Yu-Xi ZHANG ,&nbsp;Jun-Feng ZHANG ,&nbsp;Chen-Chen LI ,&nbsp;Yan-Li WANG","doi":"10.1016/j.cjac.2024.100464","DOIUrl":"10.1016/j.cjac.2024.100464","url":null,"abstract":"<div><div>Renshen Yangrong Decoction (RSYRD) is a traditional Chinese medicinal compound widely used as an adjuvant in colon cancer treatment. However, the specific role of RSYRD in anti-colon cancer remains unclear. This study aimed to investigate the anti-colon cancer effects of RSYRD using network pharmacology, molecular docking, and <em>in vitro</em> and <em>in vivo</em> experiments. The active ingredients and targets of RSYRD were identified utilizing databases, and RSYRD-ingredient-target and protein-protein interaction (PPI) networks were constructed. Gene Ontology (GO) functional analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis were performed on the anti-colon cancer targets of RSYRD, followed by molecular docking using AutoDockTools 1.5.6. <em>In vitro</em> and <em>in vivo</em> experiments were conducted to explore the mechanism of RSYRD and evaluate its inhibitory efficacy on colon cancer. A total of 233 active ingredients and 88 colon cancer-related targets were identified, including 9 core targets. GO functional analysis revealed that RSYRD exerts anti-tumor effects through processes such as oxidative reactions, closely associated with intracellular reactive oxygen species (ROS). KEGG enrichment analysis indicated that the anti-tumor effect of RSYRD involved the interaction of cancer-related and viral disease-associated pathways, as well as the IL-17, TNF, and PI3K-AKT signaling pathways. Molecular docking showed stable ligand-receptor binding, with binding energies below −5.0 kcal/mol. <em>In vitro</em> experiments demonstrated that RSYRD increased ROS levels, reduced mitochondrial membrane potential (MMP), and promoted apoptosis in SW620 cells, thereby inhibiting cell proliferation and migration. <em>In vivo</em> experiments showed that RSYRD significantly suppressed colon cancer proliferation. This study identified Quercetin, Kaempferol, 7-Methoxy-2-methyl-isoflavone, Licochalcone-a, and Isorhamnetin as core ingredients in RSYRD, likely exerting anti-colon cancer effects by inhibiting proteins such as ESR1, HSP90AA1, NCOA2, and MAPK14, and suppressing the PI3K-AKT signaling pathway, thereby regulating tumor cell proliferation, migration, and apoptosis.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"52 12","pages":"Article 100464"},"PeriodicalIF":1.2,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142748478","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}