Journal of Molecular Structure最新文献

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Unveiling α-Amylase Inhibition: A Bioinformatics Perspective on Peptide Properties and Amino Acid Contributions 揭示α-淀粉酶抑制作用:从生物信息学角度看多肽特性和氨基酸贡献
Journal of Molecular Structure Pub Date : 2024-02-01 DOI: 10.1016/j.molstruc.2024.137768
A. M. Rodhi, P. Yap, O. A. Olalere, Chee-Yuen Gan
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引用次数: 0
Deciphering the Intriguing Molecular Recognition of a Novel Indene-Phloroglucinol Tethered Compound with Human Serum Albumin Using Multi-Spectroscopy and Molecular Docking Studies 利用多光谱和分子对接研究破译一种新型茚-氯葡萄糖苷系化合物与人类血清白蛋白之间的奇妙分子识别关系
Journal of Molecular Structure Pub Date : 2024-02-01 DOI: 10.1016/j.molstruc.2024.137796
Gitumoni Kalita, Sharat Sarmah, Vivek Prakash, P. N. Chatterjee, A. Roy
{"title":"Deciphering the Intriguing Molecular Recognition of a Novel Indene-Phloroglucinol Tethered Compound with Human Serum Albumin Using Multi-Spectroscopy and Molecular Docking Studies","authors":"Gitumoni Kalita, Sharat Sarmah, Vivek Prakash, P. N. Chatterjee, A. Roy","doi":"10.1016/j.molstruc.2024.137796","DOIUrl":"https://doi.org/10.1016/j.molstruc.2024.137796","url":null,"abstract":"","PeriodicalId":503318,"journal":{"name":"Journal of Molecular Structure","volume":"310 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139884373","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A facile strategy of designing a new crystalline cobalt metal-organic framework as a new efficient and robust heterogeneous catalyst for olefin oxidation reaction 设计新型结晶钴金属有机框架作为烯烃氧化反应的高效、稳健异相催化剂的简便策略
Journal of Molecular Structure Pub Date : 2024-02-01 DOI: 10.1016/j.molstruc.2024.137706
Saeideh Tavakoli, Alireza Abbasi, Mohammad Yousefi, M. H. Sadr
{"title":"A facile strategy of designing a new crystalline cobalt metal-organic framework as a new efficient and robust heterogeneous catalyst for olefin oxidation reaction","authors":"Saeideh Tavakoli, Alireza Abbasi, Mohammad Yousefi, M. H. Sadr","doi":"10.1016/j.molstruc.2024.137706","DOIUrl":"https://doi.org/10.1016/j.molstruc.2024.137706","url":null,"abstract":"","PeriodicalId":503318,"journal":{"name":"Journal of Molecular Structure","volume":"72 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139873084","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Nickel selenide embedded polyaniline nanofibers as a counter electrode for high-performance dye-sensitized solar cell 嵌入硒化镍的聚苯胺纳米纤维作为高性能染料敏化太阳能电池的对电极
Journal of Molecular Structure Pub Date : 2024-02-01 DOI: 10.1016/j.molstruc.2024.137735
E. S. Sowbakkiyavathi, Vignesh Murugadoss, Saradh Prasad Rajendra, Mohamad S AlSalhi, Preethi Dhandapani, Subramania Angaiah
{"title":"Nickel selenide embedded polyaniline nanofibers as a counter electrode for high-performance dye-sensitized solar cell","authors":"E. S. Sowbakkiyavathi, Vignesh Murugadoss, Saradh Prasad Rajendra, Mohamad S AlSalhi, Preethi Dhandapani, Subramania Angaiah","doi":"10.1016/j.molstruc.2024.137735","DOIUrl":"https://doi.org/10.1016/j.molstruc.2024.137735","url":null,"abstract":"","PeriodicalId":503318,"journal":{"name":"Journal of Molecular Structure","volume":"84 9","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139812100","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Robust Upconversion Luminescence of Ho3+/Yb3+ co-doped TiO2 Nanophosphors Manifested by Crystallinity 结晶度显示的 Ho3+/Yb3+ 共掺杂 TiO2 纳米磷的稳健上转换发光特性
Journal of Molecular Structure Pub Date : 2024-02-01 DOI: 10.1016/j.molstruc.2024.137747
M. Matakgane, T. Mokoena, R.E Kroon, S. Mofokeng, M. R. Mhlongo
{"title":"Robust Upconversion Luminescence of Ho3+/Yb3+ co-doped TiO2 Nanophosphors Manifested by Crystallinity","authors":"M. Matakgane, T. Mokoena, R.E Kroon, S. Mofokeng, M. R. Mhlongo","doi":"10.1016/j.molstruc.2024.137747","DOIUrl":"https://doi.org/10.1016/j.molstruc.2024.137747","url":null,"abstract":"","PeriodicalId":503318,"journal":{"name":"Journal of Molecular Structure","volume":"20 3","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139816320","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Hydrothermal method synthesis and luminescent properties of LaVO4:Eu3+ red phosphors 水热法合成 LaVO4:Eu3+ 红色荧光粉及其发光特性
Journal of Molecular Structure Pub Date : 2024-02-01 DOI: 10.1016/j.molstruc.2024.137738
qing Lu, Chuanlin Fang, Jing Xie, Y. Lou, Yuanmao Pu, Honghai Zhang, Dongni Wu
{"title":"Hydrothermal method synthesis and luminescent properties of LaVO4:Eu3+ red phosphors","authors":"qing Lu, Chuanlin Fang, Jing Xie, Y. Lou, Yuanmao Pu, Honghai Zhang, Dongni Wu","doi":"10.1016/j.molstruc.2024.137738","DOIUrl":"https://doi.org/10.1016/j.molstruc.2024.137738","url":null,"abstract":"","PeriodicalId":503318,"journal":{"name":"Journal of Molecular Structure","volume":"60 10","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139817302","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Biginelli dihydropyrimidines carrying azole rings: Synthesis, computational studies, and evaluation of alpha‐glucosidase inhibitory and antimicrobial activities 携带唑环的 Biginelli 二氢嘧啶:合成、计算研究以及α-葡萄糖苷酶抑制和抗菌活性评估
Journal of Molecular Structure Pub Date : 2024-02-01 DOI: 10.1016/j.molstruc.2024.137802
Ebru Koçak Aslan, S. Armaković, S. Armaković, Nadire Özenver, Ceren Özkul, M. Gündüz
{"title":"Biginelli dihydropyrimidines carrying azole rings: Synthesis, computational studies, and evaluation of alpha‐glucosidase inhibitory and antimicrobial activities","authors":"Ebru Koçak Aslan, S. Armaković, S. Armaković, Nadire Özenver, Ceren Özkul, M. Gündüz","doi":"10.1016/j.molstruc.2024.137802","DOIUrl":"https://doi.org/10.1016/j.molstruc.2024.137802","url":null,"abstract":"","PeriodicalId":503318,"journal":{"name":"Journal of Molecular Structure","volume":"162 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139819906","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis, spectroscopic (IR and NMR), HOMO–LUMO, NLO, molecular docking and ADME study of pyrazole coupled 2-hydrazinyl thiazole derivative 吡唑偶联 2-肼基噻唑衍生物的合成、光谱(红外和核磁共振)、HOMO-LUMO、NLO、分子对接和 ADME 研究
Journal of Molecular Structure Pub Date : 2024-02-01 DOI: 10.1016/j.molstruc.2024.137745
Hemant S. Deshmukh, V. A. Adole, Abhishek Kumar, Neeraj Misra, Snehal D. Pawar, Santosh R. Tambe, Bapusonu Jagdale
{"title":"Synthesis, spectroscopic (IR and NMR), HOMO–LUMO, NLO, molecular docking and ADME study of pyrazole coupled 2-hydrazinyl thiazole derivative","authors":"Hemant S. Deshmukh, V. A. Adole, Abhishek Kumar, Neeraj Misra, Snehal D. Pawar, Santosh R. Tambe, Bapusonu Jagdale","doi":"10.1016/j.molstruc.2024.137745","DOIUrl":"https://doi.org/10.1016/j.molstruc.2024.137745","url":null,"abstract":"","PeriodicalId":503318,"journal":{"name":"Journal of Molecular Structure","volume":"109 ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139829096","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Green synthetic approaches of caffeine extraction for cosmeceutical application: A review 用于化妆品的咖啡因提取绿色合成方法:综述
Journal of Molecular Structure Pub Date : 2024-02-01 DOI: 10.1016/j.molstruc.2024.137733
Saranagat Singh Watts, Kaushik Pal, Nidhi Asthana, Monika Bhattu, Meenakshi Verma
{"title":"Green synthetic approaches of caffeine extraction for cosmeceutical application: A review","authors":"Saranagat Singh Watts, Kaushik Pal, Nidhi Asthana, Monika Bhattu, Meenakshi Verma","doi":"10.1016/j.molstruc.2024.137733","DOIUrl":"https://doi.org/10.1016/j.molstruc.2024.137733","url":null,"abstract":"","PeriodicalId":503318,"journal":{"name":"Journal of Molecular Structure","volume":"50 15","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139881008","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Anticorrosion Evaluation of Novel Schiff-Imidazole Molecules for Q235 Steel in 1.0 mol/L HCl by Computational and Experimental Methodologies 通过计算和实验方法评估新型席夫咪唑分子在 1.0 mol/L HCl 溶液中对 Q235 钢的抗腐蚀作用
Journal of Molecular Structure Pub Date : 2024-02-01 DOI: 10.1016/j.molstruc.2024.137793
Pengjie Wang, Yuhao Song, Lin Fan, Zhonghui Li, K. R. Ansari, Mhod Talha, Ambrish Singh, Yuanhua Lin
{"title":"Anticorrosion Evaluation of Novel Schiff-Imidazole Molecules for Q235 Steel in 1.0 mol/L HCl by Computational and Experimental Methodologies","authors":"Pengjie Wang, Yuhao Song, Lin Fan, Zhonghui Li, K. R. Ansari, Mhod Talha, Ambrish Singh, Yuanhua Lin","doi":"10.1016/j.molstruc.2024.137793","DOIUrl":"https://doi.org/10.1016/j.molstruc.2024.137793","url":null,"abstract":"","PeriodicalId":503318,"journal":{"name":"Journal of Molecular Structure","volume":"261 3","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139884107","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","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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