新型铕(III)、铽(III)和钆(III)希夫碱配合物:合成、结构、光致发光、抗菌、抗氧化和分子对接研究

IF 2.4 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Polyhedron Pub Date : 2024-10-26 DOI:10.1016/j.poly.2024.117275
Hatice Gamze Sogukomerogullari , Eyüp Başaran , Remziye Aysun Kepekçi , Burçin Türkmenoğlu , Ahmet Oral Sarıoğlu , Muhammet Köse
{"title":"新型铕(III)、铽(III)和钆(III)希夫碱配合物:合成、结构、光致发光、抗菌、抗氧化和分子对接研究","authors":"Hatice Gamze Sogukomerogullari ,&nbsp;Eyüp Başaran ,&nbsp;Remziye Aysun Kepekçi ,&nbsp;Burçin Türkmenoğlu ,&nbsp;Ahmet Oral Sarıoğlu ,&nbsp;Muhammet Köse","doi":"10.1016/j.poly.2024.117275","DOIUrl":null,"url":null,"abstract":"<div><div>Three lanthanide (III) complexes, <strong>L-Eu</strong>, <strong>L-Tb</strong>, and <strong>L-Gd</strong>, were synthesized using a Schiff base ligand (H<sub>2</sub>L) composed of (2,2′-(thiophene-2,5-diylbis(methaneylyl-idene))bis(azaneylyl-idene))diphenol. Complexes with the generic formula LnL(Cl)(H<sub>2</sub>O)·xH<sub>2</sub>O, where L is the ligand, was studied using elemental analysis, spectrum analysis (IR, mass- UV–Vis), and molar conductivity. Next, the photoluminescence characteristics of the lanthanide complexes were investigated. An assessment was conducted to ascertain the antioxidant activity of the synthetic compounds compared with that of the stable free radical DPPH. The antibacterial activity of the Schiff base metal complexes was assessed against a strain of yeast as well as against a number of Gram-positive and Gram-negative bacteria. Computational studies were also performed to elucidate the mechanisms of the antimicrobial and antioxidant effects. In molecular docking, 1LL9, 6J2O, 3JPU, 2MBR, and 1HD2 crystal structures were determined as targets and the docking score values of <strong>H<sub>2</sub>L</strong>, <strong>L-Tb</strong>, <strong>L-Gd</strong>, and <strong>L-Eu</strong> compounds for these targets were calculated.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"265 ","pages":"Article 117275"},"PeriodicalIF":2.4000,"publicationDate":"2024-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Novel europium(III), terbium(III), and gadolinium(III) Schiff base complexes: Synthesis, structural, photoluminescence, antimicrobial, antioxidant, and molecular docking studies\",\"authors\":\"Hatice Gamze Sogukomerogullari ,&nbsp;Eyüp Başaran ,&nbsp;Remziye Aysun Kepekçi ,&nbsp;Burçin Türkmenoğlu ,&nbsp;Ahmet Oral Sarıoğlu ,&nbsp;Muhammet Köse\",\"doi\":\"10.1016/j.poly.2024.117275\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Three lanthanide (III) complexes, <strong>L-Eu</strong>, <strong>L-Tb</strong>, and <strong>L-Gd</strong>, were synthesized using a Schiff base ligand (H<sub>2</sub>L) composed of (2,2′-(thiophene-2,5-diylbis(methaneylyl-idene))bis(azaneylyl-idene))diphenol. Complexes with the generic formula LnL(Cl)(H<sub>2</sub>O)·xH<sub>2</sub>O, where L is the ligand, was studied using elemental analysis, spectrum analysis (IR, mass- UV–Vis), and molar conductivity. Next, the photoluminescence characteristics of the lanthanide complexes were investigated. An assessment was conducted to ascertain the antioxidant activity of the synthetic compounds compared with that of the stable free radical DPPH. The antibacterial activity of the Schiff base metal complexes was assessed against a strain of yeast as well as against a number of Gram-positive and Gram-negative bacteria. Computational studies were also performed to elucidate the mechanisms of the antimicrobial and antioxidant effects. In molecular docking, 1LL9, 6J2O, 3JPU, 2MBR, and 1HD2 crystal structures were determined as targets and the docking score values of <strong>H<sub>2</sub>L</strong>, <strong>L-Tb</strong>, <strong>L-Gd</strong>, and <strong>L-Eu</strong> compounds for these targets were calculated.</div></div>\",\"PeriodicalId\":20278,\"journal\":{\"name\":\"Polyhedron\",\"volume\":\"265 \",\"pages\":\"Article 117275\"},\"PeriodicalIF\":2.4000,\"publicationDate\":\"2024-10-26\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Polyhedron\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0277538724004510\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, INORGANIC & NUCLEAR\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Polyhedron","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0277538724004510","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}
引用次数: 0

摘要

使用由 (2,2′-(thiophene-2,5-diylbis(methaneylyl-idene))bis(azaneylyl-idene))diphenol 组成的希夫碱配体 (H2L) 合成了三种镧系 (III) 化合物,即 L-Eu、L-Tb 和 L-Gd。研究人员使用元素分析、光谱分析(红外光谱、质谱-紫外-可见光谱)和摩尔电导率对通式为 LnL(Cl)(H2O)-xH2O(其中 L 为配体)的配合物进行了研究。接着,研究了镧系配合物的光致发光特性。与稳定的自由基 DPPH 相比,对合成化合物的抗氧化活性进行了评估。评估了希夫碱金属配合物对酵母菌株以及一些革兰氏阳性和革兰氏阴性细菌的抗菌活性。此外,还进行了计算研究,以阐明抗菌和抗氧化作用的机制。在分子对接中,确定了 1LL9、6J2O、3JPU、2MBR 和 1HD2 晶体结构为目标,并计算了 H2L、L-Tb、L-Gd 和 L-Eu 化合物与这些目标的对接分值。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

摘要图片

查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
Novel europium(III), terbium(III), and gadolinium(III) Schiff base complexes: Synthesis, structural, photoluminescence, antimicrobial, antioxidant, and molecular docking studies
Three lanthanide (III) complexes, L-Eu, L-Tb, and L-Gd, were synthesized using a Schiff base ligand (H2L) composed of (2,2′-(thiophene-2,5-diylbis(methaneylyl-idene))bis(azaneylyl-idene))diphenol. Complexes with the generic formula LnL(Cl)(H2O)·xH2O, where L is the ligand, was studied using elemental analysis, spectrum analysis (IR, mass- UV–Vis), and molar conductivity. Next, the photoluminescence characteristics of the lanthanide complexes were investigated. An assessment was conducted to ascertain the antioxidant activity of the synthetic compounds compared with that of the stable free radical DPPH. The antibacterial activity of the Schiff base metal complexes was assessed against a strain of yeast as well as against a number of Gram-positive and Gram-negative bacteria. Computational studies were also performed to elucidate the mechanisms of the antimicrobial and antioxidant effects. In molecular docking, 1LL9, 6J2O, 3JPU, 2MBR, and 1HD2 crystal structures were determined as targets and the docking score values of H2L, L-Tb, L-Gd, and L-Eu compounds for these targets were calculated.
求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
Polyhedron
Polyhedron 化学-晶体学
CiteScore
4.90
自引率
7.70%
发文量
515
审稿时长
2 months
期刊介绍: Polyhedron publishes original, fundamental, experimental and theoretical work of the highest quality in all the major areas of inorganic chemistry. This includes synthetic chemistry, coordination chemistry, organometallic chemistry, bioinorganic chemistry, and solid-state and materials chemistry. Papers should be significant pieces of work, and all new compounds must be appropriately characterized. The inclusion of single-crystal X-ray structural data is strongly encouraged, but papers reporting only the X-ray structure determination of a single compound will usually not be considered. Papers on solid-state or materials chemistry will be expected to have a significant molecular chemistry component (such as the synthesis and characterization of the molecular precursors and/or a systematic study of the use of different precursors or reaction conditions) or demonstrate a cutting-edge application (for example inorganic materials for energy applications). Papers dealing only with stability constants are not considered.
期刊最新文献
Synthesis, structural elucidation, and DNA binding behavior of a ternary copper(II) complex featuring substituted bipyridyl and dicarboxylate ligands Highlighting non-covalent interactions to molecular structure, electronic and vibrational spectra in a new hybrid organic–inorganic cobalt complexes: Synthesis, characterization, experimental and computational studies Luminescence in Ln3+ dipivaloylmethanate complexes: Spectroscopic and theoretical investigation on the energy transfer and LMCT state Triperiodic frameworks in the uranyl–2,5-thiophenedicarboxylate system: Effect of unidentate auxiliary ligands Homogeneous catalytic oxidation of thymol with dinuclear Cu(II)-2-phenyl propionate-bipyridine complex
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1