{"title":"Unveiling α-Amylase Inhibition: A Bioinformatics Perspective on Peptide Properties and Amino Acid Contributions","authors":"A. M. Rodhi, P. Yap, O. A. Olalere, Chee-Yuen Gan","doi":"10.1016/j.molstruc.2024.137768","DOIUrl":"https://doi.org/10.1016/j.molstruc.2024.137768","url":null,"abstract":"","PeriodicalId":503318,"journal":{"name":"Journal of Molecular Structure","volume":"38 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139880447","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}
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}
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}
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}
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}
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}
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}
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}