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Molecular Crystals and Liquid Crystals最新文献

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Synthesis, crystal structure, Hirshfeld surface analysis, energy frameworks, and DFT calculations of (2e)-3-(dimethylamino)-1-[5-methyl-1-(4-nitrophenyl)-1h-1,2,3-triazol-4-yl]prop-2-en-1-one (2e)-3-(二甲基氨基)-1-[5-甲基-1-(4-硝基苯基)-1h-1,2,3-三唑-4-基]丙-2-烯-1-酮的合成、晶体结构、Hirshfeld 表面分析、能量框架和 DFT 计算
IF 0.7 4区 化学
Molecular Crystals and Liquid Crystals Pub Date : 2024-03-10 DOI: 10.1080/15421406.2024.2326337
M. K. Usha, T. N. Lohith, M. Manjula, Shobhitha Shetty, Balakrishna Kalluraya, D. Revannasiddaiah, M. A. Sridhar
{"title":"Synthesis, crystal structure, Hirshfeld surface analysis, energy frameworks, and DFT calculations of (2e)-3-(dimethylamino)-1-[5-methyl-1-(4-nitrophenyl)-1h-1,2,3-triazol-4-yl]prop-2-en-1-one","authors":"M. K. Usha, T. N. Lohith, M. Manjula, Shobhitha Shetty, Balakrishna Kalluraya, D. Revannasiddaiah, M. A. Sridhar","doi":"10.1080/15421406.2024.2326337","DOIUrl":"https://doi.org/10.1080/15421406.2024.2326337","url":null,"abstract":"A novel triazole derivative was synthesized and characterized by various spectroscopic techniques such as FTIR, NMR and single crystal X-ray diffraction study. The title compound crystallizes in th...","PeriodicalId":18758,"journal":{"name":"Molecular Crystals and Liquid Crystals","volume":"21 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2024-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140075885","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
cis and trans isomers of Ru(III)-based complexes with lapachol: X-ray diffractions and DFT theoretical insights Ru(III)基配合物与拉帕酚的顺式和反式异构体：X 射线衍射和 DFT 理论见解
IF 0.7 4区 化学
Molecular Crystals and Liquid Crystals Pub Date : 2024-03-05 DOI: 10.1080/15421406.2024.2323789
André V. Alves, Rafael G. Silveira, Marília I. F. Barbosa, Javier Ellena, Alzir A. Batista, Rodrigo S. Corrêa
{"title":"cis and trans isomers of Ru(III)-based complexes with lapachol: X-ray diffractions and DFT theoretical insights","authors":"André V. Alves, Rafael G. Silveira, Marília I. F. Barbosa, Javier Ellena, Alzir A. Batista, Rodrigo S. Corrêa","doi":"10.1080/15421406.2024.2323789","DOIUrl":"https://doi.org/10.1080/15421406.2024.2323789","url":null,"abstract":"Lapachol (lap) is widely studied due to its biological application, as well as its importance in the coordination chemistry field. The structure of cis and trans isomers of new ruthenium(III) compl...","PeriodicalId":18758,"journal":{"name":"Molecular Crystals and Liquid Crystals","volume":"42 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2024-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140076014","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
IIIA new ionic penta-nuclear Fe(III) cluster: Syntheses, structure, magnetic properties and Hirshfeld surface analysis III 一种新的离子型五核 Fe(III) 簇：合成、结构、磁性和希尔斯菲尔德表面分析
IF 0.7 4区 化学
Molecular Crystals and Liquid Crystals Pub Date : 2024-03-05 DOI: 10.1080/15421406.2024.2324627
Dong-mei Hu, Ru-xia Zhao, Jing Wang, Feng Wang, Guang-yue Li, Qing-mei Qu, Gui-mei Wang, Chao Feng
{"title":"IIIA new ionic penta-nuclear Fe(III) cluster: Syntheses, structure, magnetic properties and Hirshfeld surface analysis","authors":"Dong-mei Hu, Ru-xia Zhao, Jing Wang, Feng Wang, Guang-yue Li, Qing-mei Qu, Gui-mei Wang, Chao Feng","doi":"10.1080/15421406.2024.2324627","DOIUrl":"https://doi.org/10.1080/15421406.2024.2324627","url":null,"abstract":"One new ionic penta-nuclear FeIII cluster, [HN(Et)3]·[Fe5(L3)4(ATZ)4(μ3-O)2]·(H2O) (1), (H2L is 2-(((1H-tetrazol-5-yl)imino)methyl)-6-methoxyphenol; HATZ is 5-amino-1,2,3,4- tetrazole), was synthes...","PeriodicalId":18758,"journal":{"name":"Molecular Crystals and Liquid Crystals","volume":"38 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2024-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140076006","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
Influencing role of anisotropic metal microstructures on friction force 各向异性金属微结构对摩擦力的影响作用
IF 0.7 4区 化学
Molecular Crystals and Liquid Crystals Pub Date : 2024-02-28 DOI: 10.1080/15421406.2024.2323753
Y. Shimada, K. Tsujioka, Y. Matsuo, M. Shimomura, Y. Hirai
{"title":"Influencing role of anisotropic metal microstructures on friction force","authors":"Y. Shimada, K. Tsujioka, Y. Matsuo, M. Shimomura, Y. Hirai","doi":"10.1080/15421406.2024.2323753","DOIUrl":"https://doi.org/10.1080/15421406.2024.2323753","url":null,"abstract":"Ni anisotropic microgroove structures were prepared by lithographic processes and electroforming to investigate the effect of microstructures on friction forces. For Ni microgroove structures, the ...","PeriodicalId":18758,"journal":{"name":"Molecular Crystals and Liquid Crystals","volume":"21 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2024-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140010052","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
Mesophase analysis, DFT calculation and microbial activity of a novel mesomorphic homologous series with ethyl 4-aminobenzoate 新型介形同源系列与对氨基苯甲酸乙酯的介相分析、DFT 计算和微生物活性
IF 0.7 4区 化学
Molecular Crystals and Liquid Crystals Pub Date : 2024-02-23 DOI: 10.1080/15421406.2024.2318537
Paresh Solanki, Saloni Chauhan, Vandit Pandya, Tarun Parangi, Mukesh Chauhan
{"title":"Mesophase analysis, DFT calculation and microbial activity of a novel mesomorphic homologous series with ethyl 4-aminobenzoate","authors":"Paresh Solanki, Saloni Chauhan, Vandit Pandya, Tarun Parangi, Mukesh Chauhan","doi":"10.1080/15421406.2024.2318537","DOIUrl":"https://doi.org/10.1080/15421406.2024.2318537","url":null,"abstract":"A novel homologous series of cinnamoyl ester comprising of elven (C1 to C16) homologues liquid crystal (LC) samples have been synthesized and characterized using instrumental methods (spectral and ...","PeriodicalId":18758,"journal":{"name":"Molecular Crystals and Liquid Crystals","volume":"17 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2024-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139946816","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 and investigation of spectroscopic properties of Bodipy derivatives obtained from 2,4-dimethylpyrrole by click reaction 通过点击反应从 2,4-二甲基吡咯中获得的 Bodipy 衍生物的合成及其光谱特性研究
IF 0.7 4区 化学
Molecular Crystals and Liquid Crystals Pub Date : 2024-02-22 DOI: 10.1080/15421406.2024.2318534
Ersin Guler, Cagla Dursun Anacoglu
{"title":"Synthesis and investigation of spectroscopic properties of Bodipy derivatives obtained from 2,4-dimethylpyrrole by click reaction","authors":"Ersin Guler, Cagla Dursun Anacoglu","doi":"10.1080/15421406.2024.2318534","DOIUrl":"https://doi.org/10.1080/15421406.2024.2318534","url":null,"abstract":"In this study, two Bodipy compounds were synthesized using 2,4-dimethyl pyrrole as a pyrrole derivative. It was desired that both intermediates and target compounds can be obtained purely from thes...","PeriodicalId":18758,"journal":{"name":"Molecular Crystals and Liquid Crystals","volume":"29 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2024-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139946811","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
Conformational analysis of milk derived tripeptides, IPP, VPP and LPP, and investigation of their anti-COVID-19 potentials by molecular docking and molecular dynamics studies 牛奶衍生三肽 IPP、VPP 和 LPP 的构象分析，以及通过分子对接和分子动力学研究调查其抗 COVID-19 的潜力
IF 0.7 4区 化学
Molecular Crystals and Liquid Crystals Pub Date : 2024-02-20 DOI: 10.1080/15421406.2024.2318080
Sefa Celik, Sevim Akyuz, Gulshen Agaeva, Aysen E. Ozel, Niftali M. Qocayev, Ulker Agaeva
{"title":"Conformational analysis of milk derived tripeptides, IPP, VPP and LPP, and investigation of their anti-COVID-19 potentials by molecular docking and molecular dynamics studies","authors":"Sefa Celik, Sevim Akyuz, Gulshen Agaeva, Aysen E. Ozel, Niftali M. Qocayev, Ulker Agaeva","doi":"10.1080/15421406.2024.2318080","DOIUrl":"https://doi.org/10.1080/15421406.2024.2318080","url":null,"abstract":"Milk derived tripeptides IPP(Ile-Pro-Pro), VPP(Val-Pro-Pro) and LPP(Leu-Pro-Pro) have inhibitory effects on angiotensin converting enzyme, which plays a fundamental role in blood pressure systems. ...","PeriodicalId":18758,"journal":{"name":"Molecular Crystals and Liquid Crystals","volume":"40 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2024-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139911235","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
Shpol’skii effect: new interpretation for the nature of the spectral multiplet structure and Bethe-splitting 什波尔基效应：光谱多重子结构和贝特分裂性质的新解释
IF 0.7 4区 化学
Molecular Crystals and Liquid Crystals Pub Date : 2024-02-20 DOI: 10.1080/15421406.2024.2316411
G. V. Klishevich, M. D. Curmei, V. I. Melnyk, T. V. Bezrodna, V. V. Nesprava
{"title":"Shpol’skii effect: new interpretation for the nature of the spectral multiplet structure and Bethe-splitting","authors":"G. V. Klishevich, M. D. Curmei, V. I. Melnyk, T. V. Bezrodna, V. V. Nesprava","doi":"10.1080/15421406.2024.2316411","DOIUrl":"https://doi.org/10.1080/15421406.2024.2316411","url":null,"abstract":"New approach to the interpretation of the multiplet structure in the Shpol’skii spectra based on the symmetry consideration of the impurity molecule and crystal matrix is proposed. The reasons and ...","PeriodicalId":18758,"journal":{"name":"Molecular Crystals and Liquid Crystals","volume":"7 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2024-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139918762","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
Magnetic reorientation of nematic liquid crystals in non-Freedericksz geometries revisited 再论非弗里德里克兹几何中向列液晶的磁性重新定向
IF 0.7 4区 化学
Molecular Crystals and Liquid Crystals Pub Date : 2024-02-08 DOI: 10.1080/15421406.2024.2313941
J. P. Casquilho
{"title":"Magnetic reorientation of nematic liquid crystals in non-Freedericksz geometries revisited","authors":"J. P. Casquilho","doi":"10.1080/15421406.2024.2313941","DOIUrl":"https://doi.org/10.1080/15421406.2024.2313941","url":null,"abstract":"The director deformation inside a nematic cell, after a magnetic field is applied at an oblique angle α relatively to the initial homogeneous director, is studied considering a magnetic reorientati...","PeriodicalId":18758,"journal":{"name":"Molecular Crystals and Liquid Crystals","volume":"60 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2024-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139769156","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
Design, synthesis and antibacterial activity of quinazolinone derivatives containing glycosides 含苷的喹唑啉酮衍生物的设计、合成和抗菌活性
IF 0.7 4区 化学
Molecular Crystals and Liquid Crystals Pub Date : 2024-02-06 DOI: 10.1080/15421406.2024.2309877
Song Bai, Shuang Feng, Wenjuan Zhang, Honglan Mou, Shouying Tang, Han Zhou, Jianlin Luo, Xian Wei, Yunying Zhu, Rong Wu, Miaohe Zhang
{"title":"Design, synthesis and antibacterial activity of quinazolinone derivatives containing glycosides","authors":"Song Bai, Shuang Feng, Wenjuan Zhang, Honglan Mou, Shouying Tang, Han Zhou, Jianlin Luo, Xian Wei, Yunying Zhu, Rong Wu, Miaohe Zhang","doi":"10.1080/15421406.2024.2309877","DOIUrl":"https://doi.org/10.1080/15421406.2024.2309877","url":null,"abstract":"A series of novel quinazolinone derivatives containing glycosides were designed and synthesized. The biological activities test found that this series of compounds had good antibacterial activities...","PeriodicalId":18758,"journal":{"name":"Molecular Crystals and Liquid Crystals","volume":"20 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2024-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139769310","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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