Journal of Saudi Chemical Society最新文献

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Transition-metal-free synthesis of triarylmethanes via Friedel-Crafts reactions of imidazo[1,2-a]pyridines with chlorohydrocarbon derivatives 通过咪唑并[1,2-a]吡啶与氯烃衍生物的弗里德尔-卡夫斯反应合成无过渡金属的三芳基甲烷
IF 5.6 2区 化学
Journal of Saudi Chemical Society Pub Date : 2024-05-29 DOI: 10.1016/j.jscs.2024.101883
Xinlei Fu , Longhui Wu , Xiaohua Guo, Kai Yang, Zhaowen Liu
{"title":"Transition-metal-free synthesis of triarylmethanes via Friedel-Crafts reactions of imidazo[1,2-a]pyridines with chlorohydrocarbon derivatives","authors":"Xinlei Fu ,&nbsp;Longhui Wu ,&nbsp;Xiaohua Guo,&nbsp;Kai Yang,&nbsp;Zhaowen Liu","doi":"10.1016/j.jscs.2024.101883","DOIUrl":"https://doi.org/10.1016/j.jscs.2024.101883","url":null,"abstract":"<div><p>A facile, transition-metal-free, HFIP-promoted method for the synthesis of triarylmethanes through direct Friedel-Crafts reactions of imidazo[1,2-a]pyridines with chlorohydrocarbon derivatives has been described, which allows for efficient synthesis of triarylmethanes containing imidazo[1,2-a]pyridines in good to satisfactory yields at room temperature. This transformation features simple operation, excellent functional group tolerance, and a broad substrate scope.</p></div>","PeriodicalId":16974,"journal":{"name":"Journal of Saudi Chemical Society","volume":"28 4","pages":"Article 101883"},"PeriodicalIF":5.6,"publicationDate":"2024-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1319610324000784/pdfft?md5=d6e633af4a44271ba234bb8438ea8ea7&pid=1-s2.0-S1319610324000784-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141239589","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Photocurrent, electrochemical characteristic and photodegradation of two Ag20 cage isomers co-constructed by thiol and carboxylate/sulfonate and induced by CO32– template 硫醇和羧酸盐/磺酸盐共构并由 CO32- 模板诱导的两种 Ag20 笼异构体的光电流、电化学特性和光降解作用
IF 5.6 2区 化学
Journal of Saudi Chemical Society Pub Date : 2024-05-27 DOI: 10.1016/j.jscs.2024.101885
Wen-Xuan Xie , Li Li , Kun Zhou, Yi-Fan Tan, Jing Sun, Guang-Min Liang, Jiu-Yu Ji, Yan-Feng Bi
{"title":"Photocurrent, electrochemical characteristic and photodegradation of two Ag20 cage isomers co-constructed by thiol and carboxylate/sulfonate and induced by CO32– template","authors":"Wen-Xuan Xie ,&nbsp;Li Li ,&nbsp;Kun Zhou,&nbsp;Yi-Fan Tan,&nbsp;Jing Sun,&nbsp;Guang-Min Liang,&nbsp;Jiu-Yu Ji,&nbsp;Yan-Feng Bi","doi":"10.1016/j.jscs.2024.101885","DOIUrl":"https://doi.org/10.1016/j.jscs.2024.101885","url":null,"abstract":"<div><p>Assembly of AgS<em><sup>t</sup></em>Bu and PhCOOH ligands with the assistance of soluble silver salt CH<sub>3</sub>COOAg/CF<sub>3</sub>SO<sub>3</sub>Ag in methanol, N, N-dimethylformamide (DMF) and dichloromethane solution, yielded two Ag<sub>20</sub> cage isomers co-constructed by thiol and carboxylate/sulfonate ligands encapsulating a CO<sub>3</sub><sup>2–</sup> anion template, [(CO<sub>3</sub><sup>2–</sup>)@Ag<sub>20</sub>(S<em><sup>t</sup></em>Bu)<sub>10</sub>(PhCOO)<sub>4</sub>(CH<sub>3</sub>COO)<sub>4</sub>(DMF)<sub>4</sub>] (<strong>1</strong>) and [(CO<sub>3</sub><sup>2–</sup>)@Ag<sub>20</sub>(S<em><sup>t</sup></em>Bu)<sub>10</sub>(PhCOO)<sub>6</sub>(CF<sub>3</sub>SO<sub>3</sub>)<sub>2</sub>(DMF)<sub>4</sub>]·2DMF (<strong>2</strong>). The CO<sub>3</sub><sup>2–</sup> anion template was generated in situ by fixing atmospheric CO<sub>2</sub>. The precise structures of <strong>1</strong> and <strong>2</strong> were confirmed by single-crystal X-ray diffractometry (SCXRD). The thermal stability of compounds <strong>1</strong> and <strong>2</strong> was proved by thermogravimetric (TG) analysis, and their solution stability was characterized by nuclear magnetic resonance hydrogen spectroscopy (<sup>1</sup>H NMR). The absorption spectra, photocurrent responses, and luminescence of compounds <strong>1</strong> and <strong>2</strong> were investigated. In addition, the photodegradation of methylene blue (MB) and cyclic voltammetry characteristic curves of <strong>1</strong> and <strong>2</strong> were also studied.</p></div>","PeriodicalId":16974,"journal":{"name":"Journal of Saudi Chemical Society","volume":"28 4","pages":"Article 101885"},"PeriodicalIF":5.6,"publicationDate":"2024-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1319610324000802/pdfft?md5=090edebdaf5c1ab6c3ce6019122b8b18&pid=1-s2.0-S1319610324000802-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141239587","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Biological window excited up-conversion persistent luminescence nanoparticles for bioimaging and photodynamic therapy 用于生物成像和光动力疗法的生物窗口激发上转换持续发光纳米粒子
IF 5.6 2区 化学
Journal of Saudi Chemical Society Pub Date : 2024-05-27 DOI: 10.1016/j.jscs.2024.101893
Lin Liu , Kaiyan Huang , Xianggui Yin , Jinyuan Wang , Yan Gao , Junpeng Shi , Fangrong Zhang , Xia Sun , Chaohui Zheng
{"title":"Biological window excited up-conversion persistent luminescence nanoparticles for bioimaging and photodynamic therapy","authors":"Lin Liu ,&nbsp;Kaiyan Huang ,&nbsp;Xianggui Yin ,&nbsp;Jinyuan Wang ,&nbsp;Yan Gao ,&nbsp;Junpeng Shi ,&nbsp;Fangrong Zhang ,&nbsp;Xia Sun ,&nbsp;Chaohui Zheng","doi":"10.1016/j.jscs.2024.101893","DOIUrl":"https://doi.org/10.1016/j.jscs.2024.101893","url":null,"abstract":"<div><p>Near-infrared (NIR) persistent luminescence nanoparticles (PLNPs) have inherent advantages for high-sensitivity bioimaging due to the separation of excitation and emission light. However, the single-wavelength emission of NIR PLNPs for bioimaging limits their use in photodynamic therapy (PDT). Herein, a biological window excited up-conversion (UC) PLNPs, Zn<sub>3</sub>Ga<sub>2</sub>SnO<sub>8</sub>:Cr<sup>3+</sup>,Yb<sup>3+</sup>,Ho<sup>3+</sup> (ZGS), was reported for bioimaging and PDT. ZGS exhibits NIR persistent luminescence (PersL) after red LED excitation and visible UCL under 980 nm excitation. The NIR PersL is designed for <em>in vivo</em> bioimaging; the visible UCL is used to activate photosensitizer (PS) to generate reactive oxygen species (ROS) for PDT. The dual-functional ZGS with UCL and PersL provides an effective method for bioimaging and PDT, which is expected to further promote the application of PLNPs in the integration of efficient diagnosis and treatment.</p></div>","PeriodicalId":16974,"journal":{"name":"Journal of Saudi Chemical Society","volume":"28 4","pages":"Article 101893"},"PeriodicalIF":5.6,"publicationDate":"2024-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1319610324000887/pdfft?md5=584b2b7872add20d355c0b9e8ca7110a&pid=1-s2.0-S1319610324000887-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141239588","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Exploration of promising photovoltaic properties of bisisoindigo-based heterocyclic chromophores for organic solar cells: A DFT/TD-DFT study 探索双靛基杂环发色团在有机太阳能电池中的光电特性:DFT/TD-DFT 研究
IF 5.6 2区 化学
Journal of Saudi Chemical Society Pub Date : 2024-05-27 DOI: 10.1016/j.jscs.2024.101878
Iqra Shafiq , Gang Wu , Mashal Khan , Muhammad Usman Khan , Saad M. Alshehri , Ke Chen
{"title":"Exploration of promising photovoltaic properties of bisisoindigo-based heterocyclic chromophores for organic solar cells: A DFT/TD-DFT study","authors":"Iqra Shafiq ,&nbsp;Gang Wu ,&nbsp;Mashal Khan ,&nbsp;Muhammad Usman Khan ,&nbsp;Saad M. Alshehri ,&nbsp;Ke Chen","doi":"10.1016/j.jscs.2024.101878","DOIUrl":"https://doi.org/10.1016/j.jscs.2024.101878","url":null,"abstract":"<div><p>In the current study, a series of A<sub>1</sub>–π–A<sub>2</sub>–π–A<sub>1</sub> type bisisoindigo-based organic compounds (<strong>BTIND1</strong>–<strong>BTIND9</strong>) were designed <em>via</em> the structural tailoring of the reference compound (<strong>BTINR</strong>) at terminal acceptors for the organic solar cells (OSCs). Density functional theory (DFT) and time-dependent density functional theory (TD-DFT) approaches were utilized to estimate the influence of end-capped engineering over their photovoltaic properties of <strong>BTIND1</strong>–<strong>BTIND9</strong>. After their structural optimization, various analyses like, open circuit voltage (<em>V</em><sub>oc</sub>), absorption spectra (<em>λ</em><sub>max</sub>), frontier molecular orbitals (FMOs), density of states (DOS), binding energy (<em>E</em><sub>b</sub>) and transition density matrix (TDM) were performed at the B3LYP/6-311G(d,p) level. The band gaps range of the engineered molecules was observed as 1.776–1.649 <em>eV,</em> lesser than the <strong>BTINR</strong> reference (1.812 <em>eV</em>). Their TDM and DOS details further revealed electronic charge transfer in the designed derivatives. The higher <em>λ</em><sub>max</sub> values were found in the visible and near-infrared regions <em>i.e.,</em> 666.904–701.149 <em>nm</em> in the chloroform solvent and 661.778–895.581 <em>nm</em> in the gaseous phase. Furthermore, their open-circuit voltage (<em>V</em><sub>oc</sub>) was determined with <strong>PTB7</strong> donor polymer and showed significant values. Among all, <strong>BTIND5</strong>, <strong>BTIND7</strong> and <strong>BTIND8</strong> compounds were investigated with remarkable photovoltaic properties. These chromophores possessed least energy gaps (1.649, 1.668 and 1.664 <em>eV</em>) and bathochromic shifts (698.070, 699.646 and 701.149 <em>nm</em>) with least binding energies and prominent <em>V</em><sub>oc</sub> results. The above-mentioned outcomes demonstrate that the end-capped modification of bisisoindigo-based molecule is an effective strategy to obtain highly efficient OSCs.</p></div>","PeriodicalId":16974,"journal":{"name":"Journal of Saudi Chemical Society","volume":"28 4","pages":"Article 101878"},"PeriodicalIF":5.6,"publicationDate":"2024-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1319610324000735/pdfft?md5=251c010d55a3972e52a16bc673f24892&pid=1-s2.0-S1319610324000735-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141239586","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Design, synthesis, and structure–activity relationship of 2-chloro-3-formylquinoline containing hybrids as powerful antibacterial agents 作为强效抗菌剂的 2-氯-3-甲酰基喹啉混合物的设计、合成和结构-活性关系
IF 5.6 2区 化学
Journal of Saudi Chemical Society Pub Date : 2024-05-26 DOI: 10.1016/j.jscs.2024.101884
Hana M. Abumelha , Alaa M. Alqahtani , Haifa Alharbi , Adel I. Alalawy , Roba M.S. Attar , Matokah M. Abualnaja , Fawaz A. saad , Nashwa M. El-Metwaly
{"title":"Design, synthesis, and structure–activity relationship of 2-chloro-3-formylquinoline containing hybrids as powerful antibacterial agents","authors":"Hana M. Abumelha ,&nbsp;Alaa M. Alqahtani ,&nbsp;Haifa Alharbi ,&nbsp;Adel I. Alalawy ,&nbsp;Roba M.S. Attar ,&nbsp;Matokah M. Abualnaja ,&nbsp;Fawaz A. saad ,&nbsp;Nashwa M. El-Metwaly","doi":"10.1016/j.jscs.2024.101884","DOIUrl":"10.1016/j.jscs.2024.101884","url":null,"abstract":"<div><p>This work aims to evaluate the antimicrobial activity of some new quinoline derivatives linked to pyrazole derivatives. The target compounds pyrazolylvinylquinoline <strong>11a-g</strong> and <strong>12a-g</strong> were achieved by the reaction of 2-chloro-6-nitro-3-quinolinecarboxaldehyde <strong>(4)</strong> with bromotriphenylphosphonylmethylpyrazole derivatives <strong>9a,b</strong> to give the new quinoline derivatives <strong>10a,b</strong> which in turn reacted with different aryl amines to afford <strong>11a-g</strong> and <strong>12a-g</strong>. Pyrazole derivatives <strong>9a,b</strong> were obtained by the reaction of hydroxymethylpyrazole derivatives <strong>8a,b</strong> with triphenylphosphine hydrobromide. Antimicrobial evaluation of the newly synthesized compounds showed that most of the new compounds appeared active toward Gram-positive bacteria more than Gram-negative bacteria. The biological evaluation of compounds <strong>12d-g</strong> displayed the highest antimicrobial activity against the tested microorganism strains. Additionally, compounds <strong>12d</strong> and <strong>12f</strong> showed excellent activity against <em>P. aeruginosa</em> (MIC<sub>50</sub> 0.019 mg/mL), while compounds <strong>11d</strong>, <strong>11f</strong>, <strong>12e</strong>, and <strong>12g</strong> displayed good activity against the same microorganism (MIC<sub>50</sub> 0.07 mg/mL). On the other hand, most of the new compounds have moderate activity against <em>E. coli</em>. Compounds <strong>12d</strong> and <strong>12f</strong> showed excellent activity versus <em>C. albicans in vitro</em> antifungal activity (MIC<sub>50</sub> 0.15 mg/mL) comparing to or slightly lower than that of Fluconazole. Using molecular docking simulations, we evaluated the binding affinities and interactions of four chosen derivatives <strong>12d</strong>-<strong>g</strong> with a target PDB code 3WT0 protein.</p></div>","PeriodicalId":16974,"journal":{"name":"Journal of Saudi Chemical Society","volume":"28 4","pages":"Article 101884"},"PeriodicalIF":5.6,"publicationDate":"2024-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1319610324000796/pdfft?md5=7cf066baf316f9f9132778a034ecfaa3&pid=1-s2.0-S1319610324000796-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141189215","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A switchable zinc-based metal organic framework for the light triggered absorption and release of organic dyes 用于有机染料光触发吸收和释放的可切换锌基金属有机框架
IF 5.6 2区 化学
Journal of Saudi Chemical Society Pub Date : 2024-05-25 DOI: 10.1016/j.jscs.2024.101880
Shiye Li , Yudan Chai , Jian Zhang , Jie Wang , Chao Yang , Jin Zhang , Shixing Cheng
{"title":"A switchable zinc-based metal organic framework for the light triggered absorption and release of organic dyes","authors":"Shiye Li ,&nbsp;Yudan Chai ,&nbsp;Jian Zhang ,&nbsp;Jie Wang ,&nbsp;Chao Yang ,&nbsp;Jin Zhang ,&nbsp;Shixing Cheng","doi":"10.1016/j.jscs.2024.101880","DOIUrl":"10.1016/j.jscs.2024.101880","url":null,"abstract":"<div><p>Due to its adjustable pore structure, the metal–organic frameworks (MOFs) have attracted much attention in the treatment of organic dye molecules in wastewater. However, the general tuning of the pore channels of MOFs is mainly by changing the chain length of the organic ligands and metal nodes. This approach not only limits the types of MOFs, but also limits the treatment of a large number of dye methylene blue (MB) and methyl orange (MO) dye molecules in the wastewater. Hence, we synthesized photoresponsive <strong>Zn-AzDC/TPA</strong> MOF as adsorbents to adsorb and release organic dye molecules in a photo-controlled manner. The photoresponsive <strong>Zn-AzDC/TPA</strong> was prepared using a mixed ligand strategy, in which the azobenzene carboxylic acid derivative (AzDC) served as a photoresponsive ligand and terephthalic acid (TPA) served as a non-active ligand in coordination with zinc ion. The optical and structural properties of the synthesized <strong>Zn-AzDC/TPA</strong> was characterized by UV–vis, FT-IR, PXRD, SEM, TEM, TGA, and pore analysis. Interestingly, it was found that the photoresponsive AzDC unit of <strong>Zn-AzDC/TPA</strong> demonstrated reversible <em>trans</em>–<em>cis</em> isomerization under the alternating UV and visible light, resulting in reversible changes in the pore size of the <strong>Zn-AzDC/TPA</strong>. Its photoresponse properties can trapp and release dye molecules under light-driven conditions. This result provides a new direction for the application of photoresponsive MOF and also lays a foundation for the study of diversified optically responsive materials.</p></div>","PeriodicalId":16974,"journal":{"name":"Journal of Saudi Chemical Society","volume":"28 4","pages":"Article 101880"},"PeriodicalIF":5.6,"publicationDate":"2024-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1319610324000759/pdfft?md5=ce3cb09945aa94e843939f7d2b75250f&pid=1-s2.0-S1319610324000759-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141189264","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Preparation of nanosheet g-C3N4 coupled with Polycalix [4] resorcinarene: Survey characterization and photocatalytic activity for the degradation of 4-Nitrophenol 纳米片状 g-C3N4 与 Polycalix [4] 间苯二酚的制备:用于降解 4-硝基苯酚的调查表征和光催化活性
IF 5.6 2区 化学
Journal of Saudi Chemical Society Pub Date : 2024-05-24 DOI: 10.1016/j.jscs.2024.101882
Asiyeh Sheikhzadeh Takabi , Arash Mouradzadegun
{"title":"Preparation of nanosheet g-C3N4 coupled with Polycalix [4] resorcinarene: Survey characterization and photocatalytic activity for the degradation of 4-Nitrophenol","authors":"Asiyeh Sheikhzadeh Takabi ,&nbsp;Arash Mouradzadegun","doi":"10.1016/j.jscs.2024.101882","DOIUrl":"10.1016/j.jscs.2024.101882","url":null,"abstract":"<div><p>Here, we have synthesized Polycalix[4]resorcinarene (PC4RA) covalently coupled with carbon-modified porous graphitic carbon nitride (g-C<sub>3</sub>N<sub>4</sub>). The nanocomposites were characterized by (FTIR), (XRD), (SEM), Transmission (TEM), and DRS–UV–Vis spectroscopic methods. Photocatalytic activities of the PC4RA/g-C<sub>3</sub>N<sub>4</sub> nanocomposites with different ratios of g-C<sub>3</sub>N<sub>4</sub> were evaluated for degradation of 4-Nitrophenol under visible light irradiation under light irradiation of λ ≥ 320 nm. Three parameters were applied including the initial concentration of 4-nitrophenol, the amount of photocatalyst, and irradiation time. and the results of the photocatalytic performance suggest that the catalytic activity is strongly influenced by the presence of the g-C<sub>3</sub>N<sub>4</sub> content. Especially the nanocomposite’s photocatalytic efficiency was the highest (98.32 % after 120 min) when the ratio of g-C<sub>3</sub>N<sub>4</sub> was (1/2). However, an increase of the photocatalytic activities was related to the interfacial transfer of photogenerated electrons and holes, leading to the effective charge separation. The durability and stability of the nanocomposites have been examined and can endure the experimental conditions even after eight successive cycles. This approach opens up an avenue for the fabrication of graphitic carbon nitrite-based metal-free heterogeneous nanocomposites with high catalytic performance.</p></div>","PeriodicalId":16974,"journal":{"name":"Journal of Saudi Chemical Society","volume":"28 4","pages":"Article 101882"},"PeriodicalIF":5.6,"publicationDate":"2024-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1319610324000772/pdfft?md5=d0ae234ac7b3760ebe6e8775cd9a24a5&pid=1-s2.0-S1319610324000772-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141134541","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Catalytic activity of TiO2 nanoparticles in cyclization reactions for pyrazolone formation: DNA binding analysis via spectroscopy, X-ray crystallography, and molecular docking TiO2 纳米粒子在吡唑酮环化反应中的催化活性:通过光谱学、X 射线晶体学和分子对接分析 DNA 结合情况
IF 5.6 2区 化学
Journal of Saudi Chemical Society Pub Date : 2024-05-24 DOI: 10.1016/j.jscs.2024.101881
Mehtab Parveen , Uzma , Mohammad Azam , Mohammad Azeem , Afroz Aslam , Masrat Bashir , Mahboob Alam
{"title":"Catalytic activity of TiO2 nanoparticles in cyclization reactions for pyrazolone formation: DNA binding analysis via spectroscopy, X-ray crystallography, and molecular docking","authors":"Mehtab Parveen ,&nbsp;Uzma ,&nbsp;Mohammad Azam ,&nbsp;Mohammad Azeem ,&nbsp;Afroz Aslam ,&nbsp;Masrat Bashir ,&nbsp;Mahboob Alam","doi":"10.1016/j.jscs.2024.101881","DOIUrl":"10.1016/j.jscs.2024.101881","url":null,"abstract":"<div><p>This method of sustainable synthesis utilizes a range of aromatic/heterocyclic aldehydes, phenylhydrazine, and ethyl acetoacetates. The TiO<sub>2</sub> nanoparticle catalyst facilitates cyclization reactions, yielding pyrazolone derivatives with exceptional efficiency (95–97 %) under reflux conditions at 80 °C. The current method achieves high yields of the corresponding <em>cyclo</em>-products in a short reaction time. A variety of physicochemical methods were employed to ascertain the chemical characteristics and structure of the synthesized heterocycles, and the geometrical structure of the well-crystallized compound (Z)-4-((5-bromofuran-2-yl)methylene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one was characterized by the use of single-crystal X-ray diffraction measurement. The morphology and elemental composition of TiO<sub>2</sub> nanoparticles were examined using SEM/EDX before and after the model reaction. A drop in the Ti (titanium) signal following the reaction indicates surface alterations. The present process provides a new and improved synthesis process for the formation of pyrazolones that is more convenient, well organized in terms of good yields, a simple handling procedure, a short reaction time, and user-friendliness compared to other surviving procedures. One of the synthesized compounds, (Z)-4-((5-bromofuran-2-yl)methylene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one (2), exhibited significant DNA binding activity. This was further confirmed by a molecular docking study, which revealed a binding energy of −7.2 kcal/mol, and by analyzing the mode of interaction.</p></div>","PeriodicalId":16974,"journal":{"name":"Journal of Saudi Chemical Society","volume":"28 4","pages":"Article 101881"},"PeriodicalIF":5.6,"publicationDate":"2024-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1319610324000760/pdfft?md5=f8295bc9ba23678031c14d9f27c0898d&pid=1-s2.0-S1319610324000760-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141136628","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Aluminium-based MOF CAU-1 facilitates effective removal of florfenicol via hydrogen bonding 铝基 MOF CAU-1 通过氢键有效去除氟苯尼考
IF 5.6 2区 化学
Journal of Saudi Chemical Society Pub Date : 2024-05-23 DOI: 10.1016/j.jscs.2024.101879
Zhengjie Li , Miao Liu , Chunxia Fang , Huanshu Zhang , Tianyi Liu , Yixian Liu , Heli Tian , Jilong Han , Zhikun Zhang
{"title":"Aluminium-based MOF CAU-1 facilitates effective removal of florfenicol via hydrogen bonding","authors":"Zhengjie Li ,&nbsp;Miao Liu ,&nbsp;Chunxia Fang ,&nbsp;Huanshu Zhang ,&nbsp;Tianyi Liu ,&nbsp;Yixian Liu ,&nbsp;Heli Tian ,&nbsp;Jilong Han ,&nbsp;Zhikun Zhang","doi":"10.1016/j.jscs.2024.101879","DOIUrl":"10.1016/j.jscs.2024.101879","url":null,"abstract":"<div><p>The widespread use and subsequent accumulation of florfenicol (FFC), a common antibiotic, through the food chain poses significant risks to aquatic ecosystems and human health, necessitating effective strategies for its removal from water bodies. To solve the challenge, herein, we developed a novel aluminum-based metal–organic framework CAU-1, engineered for the efficient adsorption of FFC. CAU-1 contains the plentiful –NH<sub>2</sub> and μ-OH groups with the positively charged on the surface. In the adsorption process, CAU-1 perform hydrogen bonding interactions with FFC’s functional groups (−F, –OH, −Cl, –NH–, and −SO<sub>2</sub>–). Furthermore, the positively charged surface of CAU-1 enhances FFC adsorption via electrostatic attraction together. FFC adsorption equilibrium on CAU-1 is attained within 180 min with a monolayer adsorption capacity of 386 mg/g at 303 K, surpassing most of the reported adsorbents. The exothermic FFC adsorption process on CAU-1 remains largely unaffected by coexisting ions. Additionally, CAU-1 can be efficiently regenerated using a mixed solution of 0.1 M HCl and ethanol–water as an eluent. This work highlights CAU-1’s potential as an effective adsorbent for FFC removal, emphasizing the importance of tuning or designing surface functional groups on adsorbents to boost their adsorption capabilities.</p></div>","PeriodicalId":16974,"journal":{"name":"Journal of Saudi Chemical Society","volume":"28 4","pages":"Article 101879"},"PeriodicalIF":5.6,"publicationDate":"2024-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1319610324000747/pdfft?md5=d3a523ebf646df34a52b10b4347f1c39&pid=1-s2.0-S1319610324000747-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141145260","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Mildew resistance and antibacterial activity of plywood decorated with ZnO/TiO2 nanoparticle 用 ZnO/TiO2 纳米粒子装饰的胶合板的防霉性和抗菌活性
IF 5.6 2区 化学
Journal of Saudi Chemical Society Pub Date : 2024-05-21 DOI: 10.1016/j.jscs.2024.101877
Chengfei Wang , Shahriman Zainal Abidin , Natrina Mariane P. Toyong , Wenkai Zhu , Yingchao Zhang
{"title":"Mildew resistance and antibacterial activity of plywood decorated with ZnO/TiO2 nanoparticle","authors":"Chengfei Wang ,&nbsp;Shahriman Zainal Abidin ,&nbsp;Natrina Mariane P. Toyong ,&nbsp;Wenkai Zhu ,&nbsp;Yingchao Zhang","doi":"10.1016/j.jscs.2024.101877","DOIUrl":"https://doi.org/10.1016/j.jscs.2024.101877","url":null,"abstract":"<div><p>Plywood is widely used in flooring, furniture and other indoor wood products due to its natural advantages. However, due to the rich nutrients and unique properties of plywood, it is easy to harbor mold, which affects the use value of plywood and endangers people’s health. In this paper, ZnO/TiO2 nanoparticles were prepared by a one-pot hydrothermal method, and plywood with anti-mold/anti-bacterial properties was successfully prepared. This study pioneered the novelty and originality of growing inorganic nanocomposites on the surface of plywood to prepare plywood with anti-mold and antimicrobial properties. The prepared samples were characterized by SEM, FTIR, XRD and XPS, and the results showed that ZnO/TiO2 was adsorbed on the surface of plywood by physical adsorption. The results of mold resistance and antimicrobial testing showed that ZnO/TiO2@plywood exhibited excellent performance as the content of ZnO/TiO2 nanoparticles increased. Moreover, the antibacterial rates of ZnO/TiO<sub>2</sub>@plywood against <em>staphylococcus aureus</em> and <em>escherichia coli</em> were 96.14% and 93.36%, respectively. The improvement in the anti-mold/anti-bacterial properties of plywood is due to the reaction of ZnO/TiO2 nanoparticles with water or dissolved oxygen in water to form electron-hole pairs, generating chemically active superoxide anion radicals and hydroxyl radicals. These radicals will directly attack the bacterial cells, leading to the degradation of organic matter in the bacterial cells, thus achieving the anti-mold/anti-bacterial effect. Therefore, the novel plywood with anti-mold/anti-bacterial properties prepared in this study will fundamentally improve the intrinsic properties of plywood.</p></div>","PeriodicalId":16974,"journal":{"name":"Journal of Saudi Chemical Society","volume":"28 4","pages":"Article 101877"},"PeriodicalIF":5.6,"publicationDate":"2024-05-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1319610324000723/pdfft?md5=2665e3e227aaa5f1b5198d69f5a02b5e&pid=1-s2.0-S1319610324000723-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141090177","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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