Chinese Journal of Analytical Chemistry最新文献

{"title":"Renal protective effect of Isaria felina mycelium powder on diet and STZ-induced diabetes mice and the identification of major chemical constituents","authors":"Ziyang HUANG ,&nbsp;Jingjing CHEN ,&nbsp;Lili ZHAO ,&nbsp;Lixia CHEN ,&nbsp;Yuxin YANG ,&nbsp;Junjun LI ,&nbsp;Jing WANG ,&nbsp;Yongming YANG ,&nbsp;Lei YAN ,&nbsp;Guoyan YU ,&nbsp;Xiaowei SHI ,&nbsp;Yiyin ZHANG ,&nbsp;Yanlin YU ,&nbsp;Sujiao LIANG ,&nbsp;Xihua YANG","doi":"10.1016/j.cjac.2024.100451","DOIUrl":"10.1016/j.cjac.2024.100451","url":null,"abstract":"<div><div>Type 2 diabetes is a group of metabolic diseases mainly characterized by chronic hyperglycemia. Diabetic kidney disease is the most common microvascular complication of diabetes.</div><div>The aim of this study was to investigate the therapeutic effect of <em>Isaria felina</em> mycelium powder (IFMP) on diet and streptozotocin (STZ)-induced diabetic mouse model. And we analyze the main chemical constituents of <em>Isaria felina</em> mycelium powder.</div><div>The main chemical constituents of the alcohol-soluble IFMP were prepared and identified by high-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (HPLC-Q-TOF-MS). The fasting blood glucose and renal index of the mouse model was determined. Serum levels of triglyceride (TG), total cholesterol (TC), serum creatinine (Scr) and blood urea nitrogen (BUN) were detected. The levels of CD2AP and nephrin proteins in the kidney were detected by ELISA kits.</div><div>A total of 32 compounds were identified, including nucleosides (16 types), amino acids (13 types), sterols (one type) and glycosides (two types). The experimental results showed that compared with the diabetes model group, IFMP reduced fasting blood glucose, food intake and water intake. Biochemical analysis indicated that IFMP reduced the serum levels of TG, TC, BUN and Scr, and increased the levels of CD2AP and nephrin proteins in the kidneys.</div><div>Therefore, IFMP has the potential to treat diabetes and prevent kidney damage induced by hyperglycemia.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"52 11","pages":"Article 100451"},"PeriodicalIF":1.2,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142653973","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":"Determination of microplastic release from disposable plastic containers in Isfahan","authors":"Roya KELISHADI ,&nbsp;Ali AGHABABAI BENI ,&nbsp;Karim EBRAHIMPOUR ,&nbsp;Motahar HEIDARI-BENI","doi":"10.1016/j.cjac.2024.100448","DOIUrl":"10.1016/j.cjac.2024.100448","url":null,"abstract":"<div><div>The widespread release of microplastics from disposable food containers raises significant concerns for health and the environment. This study aimed to elucidate the underlying mechanisms of microplastic release by exploring various factors, including temperature variations and the impact of spoon contact on disposable utensils. A total of 30 samples of disposable polystyrene containers were randomly selected from markets in Isfahan, Iran. Advanced analytical techniques, including Fourier transform infrared spectroscopy, field emission scanning electron microscopy, dynamic light scattering, X-ray diffraction, and Raman spectroscopy, were employed for comprehensive analysis. The results unequivocally established the chemical and structural similarity between the microplastics released from these containers and polystyrene. Furthermore, the study revealed that both elevated temperatures and the physical agitation caused by spoon contact significantly increased the release of microplastics from the containers. The maximum amount of microplastics released was 30 mg at 120 °C when only water was circulated in the container, while it increased to 56 mg at 120 °C when the spoon was also moved inside the containers.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"52 11","pages":"Article 100448"},"PeriodicalIF":1.2,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142653972","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":"Potential molecular mechanisms of Danggui-Shaoyao-San in the treatment of melasma based on network pharmacology with molecular docking","authors":"Yuehan HUANG ,&nbsp;Guo XU ,&nbsp;Lin ZHU ,&nbsp;Qiao JIN ,&nbsp;Tianran CHEN","doi":"10.1016/j.cjac.2024.100449","DOIUrl":"10.1016/j.cjac.2024.100449","url":null,"abstract":"<div><div>Although Danggui-Shaoyao-San (DSS) is frequently used in China to treat melasma, its underlying mechanism still needs to be better understood. Our aim is to determine the mechanism behind DSS in treating melasma through network pharmacology (NP). The DSS active compounds alongside corresponding target genes are identified by accessing the TCMSP database and SwissTargetPrediction. Melasma-associated targets are retrieved from the GeneCards, DisGeNet, Durgbanks, OMIM, and TTD databases. Next, we build a component-target association network via Cytoscape software while generating a protein-protein interaction network utilizing the STRING database. Subsequently, both core target genes and active compounds are determined. Through the DAVID database and Bioinformatics tools, Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses are conducted. Lastly, the CB-Dock2 server is deployed to conduct molecular docking (MOD). The results manifest that alisol B, cerevisterol, and Wallichilide, among others, are active compounds in DSS, while PTGS2, ESR1, and ESR2 are core target genes. Both GO and KEGG analyses showcase that the potential core drug components modulate pathways in cancer, chemical carcinogenesis-receptor activation, calcium, relaxin, and estrogen signaling by exerting their effects on biological processes. These processes include negative gene expression regulation as well as positive regulation of both cytosolic calcium ion concentration and transcription from the RNA polymerase II promoter, thereby playing an anti-melasma pharmacological role. The MOD displays that core target genes have good binding activity with the active compounds. To conclude, NP demonstrates that DSS can serve as an innovative medication for treating melasma.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"52 10","pages":"Article 100449"},"PeriodicalIF":1.2,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142656060","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":"Numerical simulation of droplet formation in a Co-flow microchannel capillary device","authors":"Peihua ZHANG ,&nbsp;Hongwei YAN ,&nbsp;Xiaoxiao CHU ,&nbsp;Xueye CHEN","doi":"10.1016/j.cjac.2024.100439","DOIUrl":"10.1016/j.cjac.2024.100439","url":null,"abstract":"<div><div>In this article, a numerical simulation of the droplet formation in a Co-flow microchannel capillary device, and the influencing factors of the formation of droplets are studied. The level set method is used to track the two-phase interface and droplet formation. In the Co-flow focusing device, we explored the influencing factors of the size of the generated droplets. In the Co-flow focusing device, we explored the influences of various factors on the droplet size, generation frequency, and the droplet pressure at the centerline. The results demonstrate that an increased ratio of dispersed phase velocity to continuous phase velocity leads to a significant increase in the volume of generated droplets, a significant decrease in droplet generation frequency, and a significant decrease in droplet pressure at the centerline. Furthermore, as the viscosity of continuous phase increases, the volume of generated droplets decreases significantly, the frequency of droplet generation increases significantly, and the pressure of droplets at the centerline decreases significantly. Additionally, an elevated contact angle between the continuous phase and the wall results in a slight increase in the volume of generated droplets, alongside a reduction in droplet generation frequency and a decrease in droplet pressure at the centerline. Moreover, with the increase in interfacial tension, there is a significant increase in the volume of droplet generation, a significant decrease in the frequency of droplet generation, and a significant increase in the pressure of droplets at the centerline.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"52 10","pages":"Article 100439"},"PeriodicalIF":1.2,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142441922","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":"Determination of tetracycline by FRET fluorescence between chenpi carbon quantum dots and copper nanoparticles","authors":"Ping Lu ,&nbsp;Xiangru Hou ,&nbsp;Lu Ga ,&nbsp;Gerile Aodeng ,&nbsp;Jun Ai","doi":"10.1016/j.cjac.2024.100440","DOIUrl":"10.1016/j.cjac.2024.100440","url":null,"abstract":"<div><div>This paper describes a new strategy based on fluorescence resonance energy transfer (FRET), in which the rapid synthesis of carbon quantum dots (CQDs) and copper nanoparticles (CuNPs) is used for the determination of tetracycline (TC). Therefore, in this paper, CQDs for fluorescence determination of TC were prepared by microwave heating using chenpi as a carbon source. The prepared CQDs showed good dispersion and uniform spherical shape under transmission electron microscope (TEM), with an average particle size of about 1.91 nm. Under ultraviolet (UV) irradiation, the CQDs emitted bright blue-green fluorescence with a strong fluorescence (&gt; 1.6 × 10³ a.u.), and the fluorescence intensity did not change within one week. The emission wavelength of CQDs overlapped with the absorbance of CuNPs, and therefore, CuNPs could burst the fluorescence of CQDs by FRET mechanism. After incubation with TC, the fluorescence of CQDs was restored by the ligand reaction of CuNPs with TC. The assay showed good linearity for TC in the 1–100 nmol/L range, with a determination limit of 0.3554 nmol/L. This study demonstrated the potential of CQDs in antibiotic assays and provided a valuable method for monitoring TC levels.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"52 10","pages":"Article 100440"},"PeriodicalIF":1.2,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142425820","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":"Jiawei Wumei Wan alleviates renal fibrosis in diabetic nephropathy mice by regulating the PI3K/AKT/mTOR signaling pathway","authors":"Yijun PI ,&nbsp;Xu HUANG ,&nbsp;Chengji CUI ,&nbsp;Fan LI ,&nbsp;Wenjing ZHANG ,&nbsp;Chunguang YI ,&nbsp;Shoulin ZHANG","doi":"10.1016/j.cjac.2024.100446","DOIUrl":"10.1016/j.cjac.2024.100446","url":null,"abstract":"<div><div>In this study, network pharmacological and experimental analyses were implemented to verify the pharmacodynamic effects of Jiawei Wumei Wan (JWWMW) in the treating renal fibrosis in diabetic nephropathy (DN) and investigate its mechanism of action. Spontaneous type II diabetic mice were used to simulate the clinical DN model. JWWMW improved renal fibrosis in DN mice. Additionally, analyses of the body mass, blood sugar, 24 h urine output of mice, kidney mass, pathological morphology of renal tissues, and biochemical indices showed that JWWMW exerted therapeutic effects. Bioinformatics analyses also predicted that JWWMW may play a role in the biosynthetic process and pathway of lipid and atherosclerosis, as well as a role in the AGE-RAGE signaling pathway in diabetic complications. Western blotting results verified the reduction in lipid production after JWWMW treatment. This was facilitated by regulating the PI3K/AKT/mTOR signal pathway, thus preventing and treating renal fibrosis in DN. This study describes a scientific and theoretical approach to the clinical application of JWWMW.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"52 10","pages":"Article 100446"},"PeriodicalIF":1.2,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142441923","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":"Rapid quantitative analysis of three elements (Al, Mg and Fe) in molten zinc based on laser-induced breakdown spectroscopy combined with machine learning algorithm","authors":"Yanli LIU ,&nbsp;Maogang LI ,&nbsp;Zhiguo AN ,&nbsp;Tianlong ZHANG ,&nbsp;Jie LIU ,&nbsp;Yuanyuan LIANG ,&nbsp;Hongsheng TANG ,&nbsp;Junjie GONG ,&nbsp;Dong YAN ,&nbsp;Zenghui YOU ,&nbsp;Hua LI","doi":"10.1016/j.cjac.2024.100450","DOIUrl":"10.1016/j.cjac.2024.100450","url":null,"abstract":"<div><div>Hot-dip galvanizing represents one of the most cost-effective methods for the prevention of metal corrosion, and is therefore employed extensively across a range of fields. Carrying out the research and development of technology and devices for quantitative analysis of chemical elements in hot-dip galvanising process can provide theoretical basis and technical support for the efficiency of hot-dip galvanising process and reduction of energy consumption. A machine learning-assisted LIBS combined with a programmable logic controller (PLC) for simultaneous on-line/in-site monitoring of multiple elements in hot-dip galvanising solution (molten zinc) was developed in the current study. The LIBS spectral data of the on-site hot-dip galvanising solution was collected under optimised experimental conditions. In order to further reduce the influence of experimental noise on the analysis performance, the on-site LIBS spectral data were preprocessed and anomalous spectral data were screened based on normalisation and principal component analysis-Mahalanobis distance (PCA-MD). On the basis of the optimised data, component prediction models for three key elements of on-site hot-dip galvanising solution were constructed. The storage and re-call of the model was achieved based on Python combined with LabVIEW, thus real-time prediction of the on-site component content of hot-dip galvanising solution was achieved. The results show that the random forest model presents the best prediction results, in which the <em>R</em>² is 0.9978 and the RMSE is 0.0013% for Al, the <em>R</em>² is 0.9984 and the RMSE is 0.0011% for Mg, and the <em>R</em>² is 0.9932 and the RMSE is 0.0001% for Fe. From the on-site analysis results of the constructed model, its MRE of Al, Mg and Fe is 0.0098, 0.0236, and 0.2102, respectively. In summary, the <em>in-situ</em>/on-line analysis system of hot-dip galvanising solution combined with machine learning constructed in this study shows excellent performance, which can satisfy the needs of hot-dip galvanising solution production site. This study is expected to provide theoretical basis and technical reference for quality control and process optimisation in other production sites in the metallurgical field.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"52 10","pages":"Article 100450"},"PeriodicalIF":1.2,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142656117","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":"Fabrication of core-shell quantum dots microbeads with high stability, enhanced sensitivity and potential application in C-reactive protein (CRP) and procalcitonin (PCT) immunochromatography in vitro diagnostic reagents","authors":"Yingshu FENG ,&nbsp;Jiayu XIE ,&nbsp;Aling ZHANG ,&nbsp;Caleb Kesse FIREMPONG ,&nbsp;Qiang LIU ,&nbsp;Hongfei LIU","doi":"10.1016/j.cjac.2024.100447","DOIUrl":"10.1016/j.cjac.2024.100447","url":null,"abstract":"<div><div>Cardiovascular and cerebrovascular diseases represent the leading causes of mortality among middle-aged and elderly populations in China, with inflammation identified as a significant contributing factor. Consequently, the early diagnosis and management of inflammation are of paramount importance. C-reactive protein (CRP) and procalcitonin (PCT) serve as biomarkers for myocardial inflammation. In this study, we developed a quantum dot immunochromatographic strip that was capable of simultaneously detecting these two biomarkers with enhanced sensitivity and specificity. The comb amphiphilic poly (octadecyl-alt-polyethylene glycol) was synthesized through an amide reaction, which was employed to coat oil-soluble quantum dots, thereby transforming them into water-soluble quantum dots microbeads suitable for the coupling with biological macromolecules. These quantum dots microbeads were utilized as luminescent materials in the immunochromatographic strip for the concurrent detection of CRP and PCT. The assay required only 100 μL of sample and provided results within 10 min, demonstrating commendable precision, stability, sensitivity, and accuracy. Clinical evaluations confirmed that the developed CRP and PCT quantum dots immunochromatographic test strips were accurate and reliable, underscoring their significant potential for practical routine clinical application in the early accurate diagnosis of myocardial inflammation.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"52 10","pages":"Article 100447"},"PeriodicalIF":1.2,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142656116","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":"Metabolomics study of lipid lowering effect and lysophospholipids regulation by Alismatis rhizoma and processed forms in hyperlipidemia mice","authors":"Mengxiang DAI ,&nbsp;Qingxin SHI ,&nbsp;Xingliang XIANG ,&nbsp;Xueyan ZHAO ,&nbsp;Zhaoxiang ZENG ,&nbsp;Shuna JIN ,&nbsp;Chengwu SONG ,&nbsp;Sen LI","doi":"10.1016/j.cjac.2024.100431","DOIUrl":"10.1016/j.cjac.2024.100431","url":null,"abstract":"<div><p><em>Alismatis rhizoma</em> (AR) is a traditional herb used for its lipid-regulating properties. Its processed forms, salt-processed AR (SAR) and bran-processed AR (BAR), are widely used. This study investigates the lipid-lowering effects of AR and its processed forms in hyperlipidemic mice, with a focus on lysophospholipid regulation. Three types of serum lysophospholipids were characterized using UHPLC-QTOF-MS/MS, and their metabolic changes were analyzed with multivariate statistical statistics. The results showed that AR effectively reduced total cholesterol (TC), while SAR and BAR excelled in lowering low-density lipoprotein-cholesterol (LDL-C). BAR demonstrated superior effects on the TC/high-density lipoprotein-cholesterol (HDL-C) ratio, atherogenic index (AI), and protecting kidney function, making it the most effective processed form. Additionally, a total of 216 lysophospholipids, including 153 lysophosphatidylcholines (Lyso-PCs), 49 lysophosphatidylethanolamines (Lyso-PEs), and 14 lysophosphatidylserines (Lyso-PSs), were identified in serum samples. Metabolomics analysis revealed 102 differential lysophospholipids associated with hyperlipidemia, among which 29, 21, and 22 were significantly (VIP &gt; 1.0, <em>P</em> <em>&lt;</em> 0.05) regulated by AR, SAR, and BAR, respectively. AR showed the most comprehensive regulation of lysophospholipids, increasing unsaturated Lyso-PCs and decreasing Lyso-PEs and Lyso-PSs, which might reduce inflammation and improve cardiovascular health. This study is the first to comprehensively compare the lipid-lowering effects of AR and its processed forms, highlighting their role in modulating lysophospholipid metabolism in hyperlipidemia.</p></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"52 9","pages":"Article 100431"},"PeriodicalIF":1.2,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1872204024000768/pdfft?md5=1ab62774fb8e3902bb128937d28b6564&pid=1-s2.0-S1872204024000768-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142239016","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":"Bioassay-guided fractionation and in vitro and in silico biological activities of 2,4-di-tert-butylphenol isolated from Nocardiopsis sp. strain LC-8","authors":"Sagaya Jansi R ,&nbsp;Ameer Khusro ,&nbsp;Paul Agastian ,&nbsp;Ganesh Kumar A ,&nbsp;Shine Kadaikunnan ,&nbsp;Jamal M. Khaled ,&nbsp;Muthu Thiruvengadam","doi":"10.1016/j.cjac.2024.100437","DOIUrl":"10.1016/j.cjac.2024.100437","url":null,"abstract":"<div><div>In this study, an actinomycete strain was isolated from freshwater soil sediments to produce bioactive metabolite with a broad array of biological activities. Initially, preliminary antibacterial screening of isolate was performed by perpendicular streak method which showed the growth inhibition of all tested bacterial pathogens. Based on the culture characteristics, morphological identification, and 16S rRNA gene sequencing, the isolate was identified as <em>Nocardiopsis</em> sp. strain LC-8. Ethyl acetate extract of strain LC-8 showed potential antibacterial activity against tested bacterial pathogens with a maximum zone of inhibition of 16.98±0.57 mm against <em>Staphylococcus aureus</em>. After column chromatography, fraction 2 (F2) of the extract exhibited prominent growth inhibition activity against all tested bacterial and fungal pathogens. Antioxidant activity of F2 showed potent free radical scavenging activity with low IC₅₀ values (DPPH - 278.15±0.35 μg/mL, ABTS - 367.55±1.13 μg/mL, and FRAP - 347.48±1.35 μg/mL). Total phenolic content of F2 was quantified as 362.44±1.25 mg gallic acid equivalent/gram extract. As per spectral analyses, the isolated compound from F2 was identified as 2,4-di-tert-butylphenol which further induced cytotoxic (IC₅₀ value - 17.5±1.5 μg/mL) and apoptosis activity against MCF-7 cells. Molecular interaction studies of 2,4-di-tert-butylphenol with target proteins of pathogens and cancer cells displayed good docking score values. Finally, molecular dynamics simulation was performed to determine the stable structure of the protein-ligand system and effectiveness of 2,4-di-tert-butylphenol against the target protein. In conclusion, <em>Nocardiopsis</em> sp. strain LC-8 may act as a promising source for the production of 2,4-di-tert-butylphenol aiding diverse therapeutic roles.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"52 9","pages":"Article 100437"},"PeriodicalIF":1.2,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142319448","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}