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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 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-02-15 DOI: 10.1515/pac-2023-1205
Ann Van der Jeugd, Tatjana N. Parac-Vogt
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.
在这篇个人视角的文章中,我们回顾了自己的个人历程,强调了榜样和指导在其中发挥的重要作用,并探讨了榜样和指导如何惠及早期研究人员、促进学术成功以及推动学术界的整体发展。我们--这篇文章的共同作者(Tatjana Parac-Vogt 教授和 Ann van der Jeugd 博士)--有着一些特殊的联系:我们都曾是比利时科学界妇女组织(BeWiSe)的主席(Tatjana 从 2012 年至 2016 年;Ann 从 2020 年至 2024 年),该组织是一个非营利性协会,旨在促进比利时科学界妇女的作用和地位。
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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 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-02-15 DOI: 10.1515/pac-2023-1102
Sutopo Hadi, Hidayatul Mustafidah, Yandri Yandri, Wasinton Simanjuntak, Tati Suhartati
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, Staphylococcus aureus. 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, 1H NMR, and 13C 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 S. aureus. 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 × 10−4 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 × 10−4 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.
在这项工作中,合成了三种有机锡 (IV) 衍生物,即二-2-羟基苯甲酸二丁基锡 (DBT2-HBz) (2)、二-3-羟基苯甲酸二丁基锡 (DBT3-HBz) (3) 和二-4-羟基苯甲酸二丁基锡 (DBT4-HBz) (4),并将其作为抗致病菌金黄色葡萄球菌的消毒剂进行了测试。化合物 2-4 是通过二丁基氧化锡(DBTO)(1)与 2-羟基苯甲酸(2-HBz)、3-羟基苯甲酸(3-HBz)和 4-羟基苯甲酸(4-HBz)反应制备的。合成的化合物通过紫外可见光、傅立叶变换红外光谱、1H NMR、13C NMR 和微量元素分析仪等光谱技术进行表征。化合物的光密度(OD)是在 600 纳米波长下用紫外可见光测量的,结果表明其对金黄色葡萄球菌具有良好的生物活性。所得数据表明,化合物 4 的生物活性高于化合物 2 和 3,以及使用含 5 % 苯扎氯铵的商用消毒剂进行的阳性对照。当化合物 4 的浓度为 5 × 10-4 M,接触时间为 10 分钟时,其生物活性最佳,吸光度从 0.6092 下降到 0.4005。化合物 2 的最佳浓度为 5 × 10-4 M,接触时间为 10 分钟,吸光度从 0.6092 降至 0.4416。与化合物 4 和 2 相比,化合物 3 和阳性对照的吸光度下降幅度较小。总之,研究结果表明,合成的化合物具有作为消毒剂对付病原菌的潜力。
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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 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-02-14 DOI: 10.1515/pac-2023-1108
Labaran Abdulkadir Magashi
Medicinal plant Cassia sieberiana root bark was investigated for phytochemicals and Anti-Breast Cancer cells (MCF-7) properties, using Chemical Separations and MTT assay in vitro. The C. sieberiana 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 Saponins, Quinones, Phenolic, Steroids, Tannins, Flavounoids, Terpenoids, Anthraquinones, Cardiac-glycosides, Alkaloids, Carbohydrates, Glycosides and Coumarins. 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. IC50 were calculated using Graph Pad Prism 6 and results shown that IC50 of 245.3 μg/ml and 239.6 μg/ml dose dependent inhibitions in MCF-7 cells respectively, compared to Oxaliplatin IC50 of 38.04 μg/ml. Therefore, 70 % MeOH sample with IC50 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.
利用化学分离法和 MTT 体外检测法研究了药用植物 Cassia sieberiana 根皮的植物化学成分和抗乳腺癌细胞(MCF-7)的特性。根据极性引导法,使用不同的溶剂在索氏提取器中提取 C. sieberiana 根皮,并在减压下浓缩各自的提取物。采用标准方法对这些提取物进行植物化学成分的定性筛选。记录了各种馏分提取物的产量百分比和理化评价。植物化学成分筛选结果表明,乙酸甲酯、MeOH 和 70 % MeOH 根皮提取物中存在一些具有药理意义的次生代谢物,包括皂苷、醌类、酚类、类固醇、单宁、黄酮类、萜类、蒽醌类、强心甙类、生物碱类、碳水化合物类、苷类和香豆素类。MTT 试验结果表明,MeOH 和 70 % MeOH 样品的提取物对 MCF-7 细胞株有一定程度的抑制作用。使用 Graph Pad Prism 6 计算了 IC50,结果显示,与奥沙利铂的 IC50(38.04 μg/ml)相比,MCF-7 细胞的 IC50 分别为 245.3 μg/ml 和 239.6 μg/ml。因此,IC50 为 239.6 μg/ml 的 70 % MeOH 样品对乳腺癌细胞 MCF-7 细胞株的抑制潜力更大。根皮的抑制作用归因于植物中的一些植物化学物质。
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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 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-02-14 DOI: 10.1515/pac-2023-1131
Tati Suhartati, Andi Irawan, Hendri Ropingi, Yandri Yandri, Sutopo Hadi
In this study, artocarpin compound was successfully isolated from the root wood of the Pudau plant (Artocarpus kemando Miq.) and subsequently tested as antidiabetic and antibacterial agent against Staphylococcus aureus and Salmonella typhi. 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 IC50 value is 32 661.08 ppm. Antibacterial tests were performed with concentration variations of 0.3, 0.4, and 0.5 mg/disc. S. aureus and S. typhi bacteria showed high inhibition at a concentration of 0.5 mg/disc with inhibition zone diameters of 8 and 7 mm, respectively (moderate category).
在这项研究中,成功地从普达植物(Artocarpus kemando Miq.)的根部木材中分离出了 Artocarpin 化合物,随后进行了抗糖尿病和抗金黄色葡萄球菌和伤寒沙门氏菌的测试。分离过程包括使用甲醇浸泡,然后使用柱层析进行分离和纯化。化合物的纯度是通过薄层色谱法和熔点测量确定的。随后通过紫外-可见光谱和红外光谱对化合物进行了表征。分离出的化合物为黄色无定形固体,熔点为 168.7-173.6 ℃。使用浓度为 250、500、750 和 1000 ppm 的化合物对α-淀粉酶进行了抗糖尿病试验。使用 750 ppm 的化合物时,抑制率最高,为 43.33 ± 0.02 %,IC50 值为 32 661.08 ppm。抗菌测试的浓度变化为 0.3、0.4 和 0.5 毫克/盘。金黄色葡萄球菌和伤寒杆菌在 0.5 毫克/盘的浓度下表现出较高的抑制率,抑制区直径分别为 8 毫米和 7 毫米(中等)。
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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 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-02-01 DOI: 10.1515/pac-2023-1023
Lidia Armelao, Maria Rando, Silvia Carlotto, Irene Motta, Gregorio Bottaro, Marzio Rancan
A novel copper iodide hybrid compound, (DABCO-H)CuKI3, 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)CuKI3 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.
本文报告了一种新型碘化铜杂化化合物 (DABCO-H)CuKI3,它具有包晶结构。包括单晶 X 射线衍射、X 射线光电子能谱(XPS)和光致发光研究在内的表征技术阐明了该化合物的结构和发光特性。密度泛函理论(DFT)计算和 XPS 价带分析证明,该化合物具有蓝色磷光,归因于金属到配体和卤化物到配体的混合电荷转移跃迁。此外,(DABCO-H)CuKI3 对亚甲基蓝染料具有显著的吸附能力。动力学模型显示,薄膜和颗粒内扩散过程都对吸附速率有贡献。
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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 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-02-01 DOI: 10.1515/pac-2023-1007
Anna Schulte, Daniel Wesner, Mareike Müller, Holger Schönherr
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.
报告对通过原子转移自由基聚合(ATRP)从玻璃、硅、钛以及组织培养聚苯乙烯(TCPS)表面引发聚甲基丙烯酸二(乙二醇)甲醚(DEGMA)的聚合进行了系统研究,试图将已知的金上热致伸缩性聚甲基丙烯酸二(乙二醇)甲醚(PDEGMA)细胞释放层扩展到其他基底。使用这些基底材料需要改变固定化学性质,以便将含有溴化物的 ATRP 起始剂耦合到表面。使用氨基硅烷或聚多巴胺作为耦合层来连接 α-溴代异丁酰溴 (BiBB),并用三氯硅烷官能化 ATRP 引发剂对表面羟基进行直接官能化,结果表明所研究的所有表面都能促进 PDEGMA 刷层的生长,使用的条件与之前报道的在金上聚合的条件相同。利用润湿、椭偏、X 射线光电子能谱 (XPS) 和原子力显微镜 (AFM) 分析对所获得的刷层进行了系统表征。在所有基底上都观察到了 PaTu 8988t 细胞和 NIH 3T3 细胞的选择性释放和分离,尽管它们的刷厚度不同,这意味着引发剂和 PDEGMA 接枝密度的变化。对生物医学相关材料(钛和TCPS)的成功改性意味着,之前报道的干细胞纯化和各种细胞类型的选择性细胞释放可以通过PDEGMA刷来实现,并在未来得到推广。
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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 Q3 CHEMISTRY, MULTIDISCIPLINARY 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
The work aimed to assess the restoration of metal-contaminated soil pH and EC and impacts on Cd accumulation in plants Helianthus annuus (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 H. annuus 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.
这项工作旨在评估在自然环境中通过茶叶废料恢复受金属污染土壤的 pH 值和导电率以及对向日葵(Helianthus annuus)植物镉积累的影响。研究人员在土壤中添加了干湿两组有机物(茶叶废料),并对土壤和植物进行了不同剂量的镉金属处理(1-5 ppm)。使用 AAS、SEM 和 EDS 等分析程序对土壤和植物进行了分析,并通过 pH 和电导率仪测量了 pH 值和导电率。观察到茶叶废料对土壤 pH 值(6.2-6.9)和导电率的缓解作用,植物的健康生长也反映了这一点。研究表明,随着植物不同部位基本营养元素的恢复,镉的移动得到了成功控制。在两组接受测试的鹅掌楸植物品种中,镉的迁移与土壤 pH 值和导电率的恢复密切相关。植物的健康生长表明,茶叶废弃物是一种安全、无害的土壤修复剂,在镉金属存在的情况下,它能增强从土壤到植物根部的土壤养分离子活性,可有效用于农业目的。
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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 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-01-30 DOI: 10.1515/pac-2023-1005
Dennis Gitau Njuguna, Holger Schönherr
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 >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 >95 %, these materials are promising candidates for environmental applications.
以生物聚合物为基础的有毒染料吸附材料是环境应用领域中一类有趣的材料。在此,我们报告了以壳聚糖为起始材料合成染料吸附剂的情况。特别是报告了壳聚糖水凝胶吸附剂的合成、表征和阳离子染料吸附特性。首次在无溶剂条件下合成了多阴离子伊它康化壳聚糖衍生物。使用硫醇-烯化学方法交联伊它康化壳聚糖以获得水凝胶。研究了加入的羧酸基团和交联剂部分对亚甲蓝(MB)吸附的影响。此外,还研究了 pH 值、吸附剂剂量、初始浓度和离子强度的影响,以确定吸附甲基溴的最佳条件,并揭示了吸附剂的染料吸附动力学、吸附等温线、选择性和可重复使用性。最大吸附容量可达 556 毫克/克,优于商用活性炭和离子交换树脂。此外,壳聚糖水凝胶吸附剂还能从与阴离子染料甲基橙的二元等摩尔混合物中吸附 90% 的阳离子甲基溴。由于这些吸附剂可以再生和重复使用至少 20 次,对染料的吸附率高达 95%,因此这些材料在环境应用方面前景广阔。
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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 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-01-29 DOI: 10.1515/pac-2023-0803
Ayesha Kausar, Ishaq Ahmad, Tran Dai Lam
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.
对石墨烯或氧化石墨烯的大量研究工作导致形成了独特的纳米碳衍生纳米材料。石墨烯和氧化石墨烯在聚合物基质中得到增强,形成了高性能纳米复合材料。含有石墨烯或氧化石墨烯的聚合物纳米复合材料在纳米纤维的形成和随后的膜方面有着重要的应用经验。本概述重点介绍了石墨烯或氧化石墨烯衍生纳米复合纳米纤维膜的设计、基本特征和潜力,这些纳米纤维膜可用于水污染修复、污染物、盐类、毒素、微生物的渗透以及其他分离目的。在这里,聚合物填充的石墨烯或氧化石墨烯纳米复合材料通过适当的技术(如电纺丝、湿法纺丝、模板法等)加工成纳米纤维。然后,采用适当的技术,如溶液处理法、铸造法、浸润法等,将聚合物/石墨烯和聚合物/氧化石墨烯纳米纤维纳米复合材料用于形成纳米复合膜。因此,高性能膜已被研究用于技术目的,特别是水管理能力。未来对聚合物/石墨烯纳米纤维膜的研究可能会开发出用于商业和工业用途的高效系统。
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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 Q3 CHEMISTRY, MULTIDISCIPLINARY 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
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.
在这项研究中,我们考察了 12 种香豆素和黄酮化合物类似物的潜在抗阿尔茨海默氏症和抗氧化活性。值得注意的是,硝基香豆素 6 和 7 对乙酰胆碱酯酶具有显著的活性,尽管它们没有表现出抗氧化特性。在测试的化合物中,有四种黄酮和一种香豆素同时具有乙酰胆碱酯酶抑制剂和抗氧化剂的双重活性。特别是黄酮 9,它不仅具有优异的抗氧化活性,还具有很强的抗胆碱酯酶活性。研究人员采用分子对接技术研究了这些化合物的抗阿尔茨海默氏症和抗氧化潜力之间的关系。有趣的是,化合物 9 显示出与单胺氧化酶-B(MAO-B)酶(-15.70 kcal/mol)和乙酰胆碱酯酶(-21.70 kcal/mol)最强的结合能值,表明其抗氧化活性可能归因于对 MAO-B 的抑制。利用 pkCSM 服务器对 5、6、7、8 和 9 五种化合物的药代动力学和安全性进行了研究,结果表明它们在吸收、CYP 酶相互作用和毒性方面具有不同的特征。化合物 8 表现出较高的吸收性和较低的毒性,而化合物 6 则因其良好的整体属性而成为一种有希望的候选化合物。不过,要确定这些化合物是否适合人类使用,包括临床研究在内的全面评估至关重要。
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引用次数: 0
期刊
Pure and Applied Chemistry
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