Pure and Applied Chemistry最新文献

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Empowering women in science through role models, mentors, and support groups: a personal perspective 通过榜样、导师和支持小组增强科学界女性的能力:个人视角
IF 1.8 4区 化学
Pure and Applied Chemistry Pub Date : 2024-02-15 DOI: 10.1515/pac-2023-1205
Ann Van der Jeugd, Tatjana N. Parac-Vogt
{"title":"Empowering women in science through role models, mentors, and support groups: a personal perspective","authors":"Ann Van der Jeugd, Tatjana N. Parac-Vogt","doi":"10.1515/pac-2023-1205","DOIUrl":"https://doi.org/10.1515/pac-2023-1205","url":null,"abstract":"In this personal perspective, we reflect on our personal journey, highlighting the significance that role models and mentoring played in them, and explore how they benefit early-career researchers, promote academic success, and contribute to the overall growth of the academic community. We – the co-authors of this article (Prof. Tatjana Parac-Vogt and Dr. Ann van der Jeugd) – share some special connections: we were both presidents of Belgium Women in Science (BeWiSe), a non-profit association that promotes the role and position of women in science in Belgium (Tatjana from 2012 to 2016; Ann from 2020 to 2024), and we have a thriving mentor/mentee relationship, which started in 2015 through the BeWiSe mentoring programme.","PeriodicalId":20911,"journal":{"name":"Pure and Applied Chemistry","volume":"17 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139756908","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis, characterization, and bioactivity test of dibutyltin(IV) dihydroxyibenzoate as disinfectant agent 作为消毒剂的二羟基苯甲酸二丁基锡(IV)的合成、表征和生物活性测试
IF 1.8 4区 化学
Pure and Applied Chemistry Pub Date : 2024-02-15 DOI: 10.1515/pac-2023-1102
Sutopo Hadi, Hidayatul Mustafidah, Yandri Yandri, Wasinton Simanjuntak, Tati Suhartati
{"title":"Synthesis, characterization, and bioactivity test of dibutyltin(IV) dihydroxyibenzoate as disinfectant agent","authors":"Sutopo Hadi, Hidayatul Mustafidah, Yandri Yandri, Wasinton Simanjuntak, Tati Suhartati","doi":"10.1515/pac-2023-1102","DOIUrl":"https://doi.org/10.1515/pac-2023-1102","url":null,"abstract":"In this work, three organotin (IV) derivatives namely dibutyltin(IV) di-2-hydroxybenzoate (DBT2-HBz) (2), dibutyltin(IV) di-3-hydroxybenzoate (DBT3-HBz) (3) and dibutyltin(IV) di-4-hydroxybenzoate (DBT4-HBz)) (4) were synthesized and tested as disinfectant against pathogenic bacteria, <jats:italic>Staphylococcus aureus</jats:italic>. Compounds 2–4 were prepared by reacting dibutyltin(IV) oxide (DBTO) (1) with 2-hydroxybenzoic acid (2-HHBz), 3-hydroxybenzoic acid (3-HHBz) and 4-hydroxybenzoic acid (4-HHBz). The synthesized compounds were characterized by spectroscopic techniques including UV–Vis, FT-IR, <jats:sup>1</jats:sup>H NMR, and <jats:sup>13</jats:sup>C NMR, and micro-elemental analyzer. The optical density (OD) of compounds was measured by UV–Vis at 600 nm, which showed good bioactivity against the <jats:italic>S. aureus</jats:italic>. The data obtained indicated that compound 4 has higher bioactivity than compound 2 and 3, and the positive control using a commercial disinfectant containing 5 % benzalkonium chloride. The optimum bioactivity of compound 4 was observed at a concentration of 5 × 10<jats:sup>−4</jats:sup> M with a contact time of 10 min, as shown by the decrease in absorbance from 0.6092 to 0.4005. Compound 2 was optimal at a concentration of 5 × 10<jats:sup>−4</jats:sup> M with a contact time of 10 min, and the absorbance decreased from 0.6092 to 0.4416. Compound 3 and positive control showed a smaller decrease in absorbance compared to compound 4 and 2. Overall, the results obtained indicated that the compounds synthesized have promising potential as disinfectant against pathogenic bacteria.","PeriodicalId":20911,"journal":{"name":"Pure and Applied Chemistry","volume":"28 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139756689","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
MTT assay of human anti-breast cancer cells (MCF-7) in vitro potentials and phytochemicals screening of the root bark extracts from Cassia sieberiana MTT 人抗乳腺癌细胞(MCF-7)的体外潜力和决明根皮提取物的植物化学成分筛选
IF 1.8 4区 化学
Pure and Applied Chemistry Pub Date : 2024-02-14 DOI: 10.1515/pac-2023-1108
Labaran Abdulkadir Magashi
{"title":"MTT assay of human anti-breast cancer cells (MCF-7) in vitro potentials and phytochemicals screening of the root bark extracts from Cassia sieberiana","authors":"Labaran Abdulkadir Magashi","doi":"10.1515/pac-2023-1108","DOIUrl":"https://doi.org/10.1515/pac-2023-1108","url":null,"abstract":"Medicinal plant <jats:italic>Cassia sieberiana</jats:italic> root bark was investigated for phytochemicals and Anti-Breast Cancer cells (MCF-7) properties, using Chemical Separations and MTT assay <jats:italic>in vitro</jats:italic>. The <jats:italic>C. sieberiana</jats:italic> root bark was extracted with soxhlet extractor using different solvents based on polarity guided method and the respective extracts were concentrated under reduced pressure. These extracts were screened for their phytochemicals qualitatively using standard methods. Percentage Yields and Physico-Chemical Evaluation of the Extracts from the various fractions were recorded. The results of phytochemicals screening revealed the presence of some secondary metabolites of pharmacological significance in the Methyl acetate, MeOH and 70 % MeOH root bark extracts including <jats:italic>Saponins, Quinones, Phenolic, Steroids, Tannins, Flavounoids, Terpenoids, Anthraquinones, Cardiac-glycosides, Alkaloids, Carbohydrates, Glycosides and Coumarins</jats:italic>. Results obtained from MTT assay revealed that Extracts of MeOH and 70 % MeOH samples shown a certain degree of inhibition towards MCF-7 cell line. IC<jats:sub>50</jats:sub> were calculated using Graph Pad Prism 6 and results shown that IC<jats:sub>50</jats:sub> of 245.3 μg/ml and 239.6 μg/ml dose dependent inhibitions in MCF-7 cells respectively, compared to <jats:italic>Oxaliplatin</jats:italic> IC<jats:sub>50</jats:sub> of 38.04 μg/ml. Therefore, 70 % MeOH sample with IC<jats:sub>50</jats:sub> of 239.6 μg/ml have shown more potential of inhibiting breast cancer cell, MCF-7 cells line. The inhibition of the root bark is attributed to some of the phytochemicals present in the plant.","PeriodicalId":20911,"journal":{"name":"Pure and Applied Chemistry","volume":"18 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139756643","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Antidiabetic and antibacterial activities of artocarpin: a flavonoid compound isolated from the root wood of the Pudau plant (Artocarpus kemando Miq.) 从普达植物(Artocarpus kemando Miq.)
IF 1.8 4区 化学
Pure and Applied Chemistry Pub Date : 2024-02-14 DOI: 10.1515/pac-2023-1131
Tati Suhartati, Andi Irawan, Hendri Ropingi, Yandri Yandri, Sutopo Hadi
{"title":"Antidiabetic and antibacterial activities of artocarpin: a flavonoid compound isolated from the root wood of the Pudau plant (Artocarpus kemando Miq.)","authors":"Tati Suhartati, Andi Irawan, Hendri Ropingi, Yandri Yandri, Sutopo Hadi","doi":"10.1515/pac-2023-1131","DOIUrl":"https://doi.org/10.1515/pac-2023-1131","url":null,"abstract":"In this study, artocarpin compound was successfully isolated from the root wood of the Pudau plant (<jats:italic>Artocarpus kemando</jats:italic> Miq.) and subsequently tested as antidiabetic and antibacterial agent against <jats:italic>Staphylococcus aureus</jats:italic> and <jats:italic>Salmonella typhi</jats:italic>. The procedure applied for isolation involved maceration using methanol followed by partition and purification using column chromatography. The purity of the compound was determined using thin layer chromatography and melting point measurement. The compound was subsequently characterized via UV–vis and IR spectroscopy. The compound isolated was obtained as a yellow amorphous solid and has melting point of 168.7–173.6 °C. The antidiabetic tests were performed against α-amylase enzyme, using the compound with the concentrations of 250, 500, 750, and 1000 ppm. The highest inhibition percentage of 43.33 ± 0.02 % was achieved with the use of 750 ppm of the compound and the IC<jats:sub>50</jats:sub> value is 32 661.08 ppm. Antibacterial tests were performed with concentration variations of 0.3, 0.4, and 0.5 mg/disc. <jats:italic>S. aureus</jats:italic> and <jats:italic>S. typhi</jats:italic> bacteria showed high inhibition at a concentration of 0.5 mg/disc with inhibition zone diameters of 8 and 7 mm, respectively (moderate category).","PeriodicalId":20911,"journal":{"name":"Pure and Applied Chemistry","volume":"17 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139756647","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Bridging two worlds: (DABCO-H)CuKI3 a hybrid copper iodide phosphor with a perovskite structure 连接两个世界:(DABCO-H)CuKI3--一种具有包晶结构的混合碘化铜荧光粉
IF 1.8 4区 化学
Pure and Applied Chemistry Pub Date : 2024-02-01 DOI: 10.1515/pac-2023-1023
Lidia Armelao, Maria Rando, Silvia Carlotto, Irene Motta, Gregorio Bottaro, Marzio Rancan
{"title":"Bridging two worlds: (DABCO-H)CuKI3 a hybrid copper iodide phosphor with a perovskite structure","authors":"Lidia Armelao, Maria Rando, Silvia Carlotto, Irene Motta, Gregorio Bottaro, Marzio Rancan","doi":"10.1515/pac-2023-1023","DOIUrl":"https://doi.org/10.1515/pac-2023-1023","url":null,"abstract":"A novel copper iodide hybrid compound, (DABCO-H)CuKI<jats:sub>3</jats:sub>, featuring a perovskite structure is here reported. Characterization techniques, including single crystal X-ray diffraction, X-ray photoelectron spectroscopy (XPS), and photoluminescence studies, elucidate the structural and luminescent properties. The compound exhibits blue phosphorescence, attributed to mixed metal-to-ligand and halide-to-ligand charge transfer transitions, as supported by density functional theory (DFT) calculations and XPS valence band analysis. Furthermore, (DABCO-H)CuKI<jats:sub>3</jats:sub> displays a remarkable adsorption capacity towards methylene blue dye. Kinetic modelling reveals that both film and intra-particle diffusion processes contribute to the adsorption rate.","PeriodicalId":20911,"journal":{"name":"Pure and Applied Chemistry","volume":"24 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139664117","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Thermo-responsive poly(di(ethylene glycol) methyl ether methacrylate) brushes as substrate-independent release coatings for cell culture and selective cell separation and purification 热响应聚(二(乙二醇)甲基醚甲基丙烯酸酯)刷作为细胞培养和选择性细胞分离与纯化的基底独立释放涂层
IF 1.8 4区 化学
Pure and Applied Chemistry Pub Date : 2024-02-01 DOI: 10.1515/pac-2023-1007
Anna Schulte, Daniel Wesner, Mareike Müller, Holger Schönherr
{"title":"Thermo-responsive poly(di(ethylene glycol) methyl ether methacrylate) brushes as substrate-independent release coatings for cell culture and selective cell separation and purification","authors":"Anna Schulte, Daniel Wesner, Mareike Müller, Holger Schönherr","doi":"10.1515/pac-2023-1007","DOIUrl":"https://doi.org/10.1515/pac-2023-1007","url":null,"abstract":"A systematic study on the surface-initiated polymerization of di(ethylene glycol) methyl ether methacrylate (DEGMA) by atom transfer radical polymerization (ATRP) from glass, silicon, titanium as well as tissue culture polystyrene (TCPS) is reported in an attempt to expand the known thermoresponsive poly(di(ethylene glycol) methyl ether methacrylate) (PDEGMA) cell release layers on gold to other substrates. The use of these substrate materials requires an altered immobilization chemistry to couple a bromide containing ATRP initiator to the surfaces. Using aminosilanes or polydopamine as coupling layers for the attachment of α-bromoisobutyryl bromide (BiBB) and the direct functionalization of surface hydroxyl groups with trichlorosilane-functionalized ATRP initiators all surfaces studied were shown to facilitate the growth of PDEGMA brushes using the same conditions that were reported previously for polymerization on gold. The brush layers obtained were characterized systematically using wetting, ellipsometry, X-ray photoelectron spectroscopy (XPS) as well as atomic force microscopy (AFM) analyses. Selective cell release and separation of PaTu 8988t and NIH 3T3 cells, which are known to exhibit different behavior after temperature drop-induced brush swelling, was observed for all substrates, albeit for different brush thicknesses, implying variations in initiator and also PDEGMA grafting density. The successful modification of biomedically relevant materials (Ti and TCPS) implies that the previously reported stem cell purification and selective cell release of various cell types, which is facilitated by PDEGMA brushes, can be realized and consequently scaled up in the future.","PeriodicalId":20911,"journal":{"name":"Pure and Applied Chemistry","volume":"23 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139664092","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Bioremediation of cadmium contaminated soil by tea waste and impact on the accumulation of Cd in Helianthus annuus 茶叶废弃物对受镉污染土壤的生物修复及其对镉在太阳花中积累的影响
IF 1.8 4区 化学
Pure and Applied Chemistry Pub Date : 2024-01-30 DOI: 10.1515/pac-2023-1018
Sumeira Moin, Rafia Azmat, Ailyan Saleem, Tehseen Ahmed, Waseem Ahmed, Khalid Ahmed, Neelofer Hamid, Sajid Ali, Abdulwahed Fahad Alrefaei, Imran Malik
{"title":"Bioremediation of cadmium contaminated soil by tea waste and impact on the accumulation of Cd in Helianthus annuus","authors":"Sumeira Moin, Rafia Azmat, Ailyan Saleem, Tehseen Ahmed, Waseem Ahmed, Khalid Ahmed, Neelofer Hamid, Sajid Ali, Abdulwahed Fahad Alrefaei, Imran Malik","doi":"10.1515/pac-2023-1018","DOIUrl":"https://doi.org/10.1515/pac-2023-1018","url":null,"abstract":"The work aimed to assess the restoration of metal-contaminated soil pH and EC and impacts on Cd accumulation in plants <jats:italic>Helianthus annuus</jats:italic> (Sunflower) through tea waste in a natural environment. Various doses of Cd metal treatment (1–5 ppm) were provided to the soil with two sets of organic matter (tea waste) in a dry and wet state. The soil and plants were analyzed using analytical procedures like AAS, SEM and EDS, while pH and EC were measured through pH and conductivity meter. The mitigating effect of tea waste was observed on the pH (6.2–6.9) and EC of the soil, which was reflected by the healthy growth of the plants. It was established that the movement of the Cd was successfully controlled with the restoration of essential nutrient elements in different parts of plants. It was strongly related to recovered soil pH and EC in two sets of tested <jats:italic>H. annuus</jats:italic> plant species. The healthy growth of the plants showed that tea waste acts as a safe, harmless and sound remediator of soil, which enhances the soil nutrient ionic activity from soil to roots of the plants in the presence of the Cd metal, effective for the use of agriculture purposes.","PeriodicalId":20911,"journal":{"name":"Pure and Applied Chemistry","volume":"67 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139645082","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Green chemistry route to chitosan hydrogels and investigation of the materials as efficient dye adsorbents 壳聚糖水凝胶的绿色化学路线及作为高效染料吸附剂的材料研究
IF 1.8 4区 化学
Pure and Applied Chemistry Pub Date : 2024-01-30 DOI: 10.1515/pac-2023-1005
Dennis Gitau Njuguna, Holger Schönherr
{"title":"Green chemistry route to chitosan hydrogels and investigation of the materials as efficient dye adsorbents","authors":"Dennis Gitau Njuguna, Holger Schönherr","doi":"10.1515/pac-2023-1005","DOIUrl":"https://doi.org/10.1515/pac-2023-1005","url":null,"abstract":"Biopolymer-based materials for the adsorption of toxic dyes represent an interesting class of materials for environmental applications. Here we report on chitosan as the starting material for synthesizing dye adsorbents. In particular, the synthesis, characterization, and cationic dye adsorption properties of chitosan hydrogel adsorbents are reported. Polyanionic itaconated chitosan derivatives were synthesized in solvent-less conditions for the first time. Itaconated chitosan was cross-linked using thiol-ene chemistry to obtain hydrogels. The influence of the incorporated carboxylate groups and the cross-linker fraction on the adsorption of Methylene Blue (MB) was investigated. In addition, the impact of pH, adsorbent dose, initial concentration, and ionic strength were investigated to determine the optimum conditions for MB uptake, and the dye uptake kinetics, adsorption isotherms, selectivity, and reusability of the adsorbents were unveiled. A maximum adsorption capacity of 556 mg/g could be achieved, outperforming commercial activated charcoal and ion exchange resins. Furthermore the chitosan hydrogel adsorbents were shown to capture &gt;90 % of cationic MB from a binary equimolar mixture with the anionic dye Methyl Orange. Since the adsorbents can be regenerated and re-used afterwards at least 20 times, retaining a high dye adsorption fraction of &gt;95 %, these materials are promising candidates for environmental applications.","PeriodicalId":20911,"journal":{"name":"Pure and Applied Chemistry","volume":"33 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139644976","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Nanocomposite nanofibrous membranes of graphene and graphene oxide: water remediation potential 石墨烯和氧化石墨烯的纳米复合纳米纤维膜:水污染修复潜力
IF 1.8 4区 化学
Pure and Applied Chemistry Pub Date : 2024-01-29 DOI: 10.1515/pac-2023-0803
Ayesha Kausar, Ishaq Ahmad, Tran Dai Lam
{"title":"Nanocomposite nanofibrous membranes of graphene and graphene oxide: water remediation potential","authors":"Ayesha Kausar, Ishaq Ahmad, Tran Dai Lam","doi":"10.1515/pac-2023-0803","DOIUrl":"https://doi.org/10.1515/pac-2023-0803","url":null,"abstract":"Immense research efforts on graphene or graphene oxide have led to the formation of unique nanocarbon derived nanomaterials. Graphene and graphene oxide have been reinforced in polymeric matrices to form high performance nanocomposites. Significant applications of polymer nanocomposites with graphene or graphene oxide were experiential for nanofiber formation and ensuing membranes. This overview highlights design, essential features, and potential of graphene or graphene oxide derived nanocomposite nanofibrous membranes for water remediation permeation towards contaminates, salts, toxins, microbials, and other separation purposes. Here, polymer filled graphene or graphene oxide nanocomposites have been processed into nanofibers using appropriate techniques such as electrospinning, wet spinning, template method, etc. Afterwards, polymer/graphene and polymer/graphene oxide nanofiber nanocomposites were applied to form the nanocomposite membranes using appropriate techniques like solution processing, casting methods, infiltration, etc. Consequently, high performance membranes have been researched for technological purposes, especially water management competence. Future research on polymer/graphene nanofibrous membranes may lead to highly efficient systems for commercial and industrial level uses.","PeriodicalId":20911,"journal":{"name":"Pure and Applied Chemistry","volume":"291 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139581465","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
In silico and in vitro profiling of coumarins and flavonoids for anti-Alzheimer and antioxidant activity 香豆素和类黄酮抗老年痴呆和抗氧化活性的硅学和体外分析
IF 1.8 4区 化学
Pure and Applied Chemistry Pub Date : 2024-01-24 DOI: 10.1515/pac-2023-1110
Limya Yagoup Osman, Talal Ahmed Awad, Sahar Abdalla, Mohamed Osman El-Faki, Amna Ali, Eltayeb Fadul Fadul Alla
{"title":"In silico and in vitro profiling of coumarins and flavonoids for anti-Alzheimer and antioxidant activity","authors":"Limya Yagoup Osman, Talal Ahmed Awad, Sahar Abdalla, Mohamed Osman El-Faki, Amna Ali, Eltayeb Fadul Fadul Alla","doi":"10.1515/pac-2023-1110","DOIUrl":"https://doi.org/10.1515/pac-2023-1110","url":null,"abstract":"In this study, we examined the potential anti-Alzheimer’s and antioxidant activities of 12 analogs of coumarin and flavone compounds. Notably, nitro coumarins 6 and 7 demonstrated noteworthy activity against acetylcholinesterase, although they did not exhibit antioxidant properties. Among the tested compounds, four flavones and one coumarin displayed dual activity as both inhibitors of acetylcholinesterase and antioxidants. Particularly, flavone 9 exhibited exceptional antioxidant activity as well as substantial anti-cholinesterase activity. Molecular docking techniques were employed to investigate the relationship between the anti-Alzheimer’s and antioxidant potential of the compounds. Intriguingly, compound 9 displayed the strongest binding energy values with both monoamine oxidase-B (MAO-B) enzyme (−15.70 kcal/mol) and acetylcholinesterase enzyme (−21.70 kcal/mol), indicating that its antioxidant activity may be attributed to MAO-B inhibition. The pharmacokinetic and safety profiles of five compounds (5, 6, 7, 8, and 9) were examined using pkCSM server, revealing varying characteristics in absorption, CYP enzyme interactions, and toxicity. Compound 8 displays high absorption and lower toxicity, while Compound 6 emerges as a promising candidate due to favorable overall attributes. Nonetheless, comprehensive evaluation, including clinical studies, is crucial for determining their suitability for human use.","PeriodicalId":20911,"journal":{"name":"Pure and Applied Chemistry","volume":"214 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-01-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139554765","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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