Journal of Molecular Liquids最新文献

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Unveiling the synergistic inhibition mechanism of polyphenols in Flos Sophorae Immaturus tea on xanthine oxidase by multi-spectroscopy, molecular docking and dynamic simulation methods 通过多光谱、分子对接和动态模拟方法揭示槐花茶多酚对黄嘌呤氧化酶的协同抑制机制
Journal of Molecular Liquids Pub Date : 2024-02-01 DOI: 10.1016/j.molliq.2024.124245
Jun Li, Yang Ni, Jinwei Li, Liuping Fan
{"title":"Unveiling the synergistic inhibition mechanism of polyphenols in Flos Sophorae Immaturus tea on xanthine oxidase by multi-spectroscopy, molecular docking and dynamic simulation methods","authors":"Jun Li, Yang Ni, Jinwei Li, Liuping Fan","doi":"10.1016/j.molliq.2024.124245","DOIUrl":"https://doi.org/10.1016/j.molliq.2024.124245","url":null,"abstract":"","PeriodicalId":510279,"journal":{"name":"Journal of Molecular Liquids","volume":"1171 ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139831175","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
Real-time and quantitative investigation of zwitterionic surfactant interaction at oil-water interface: Interferometry experimental and MD simulation insights 实时和定量研究油水界面上的齐聚物表面活性剂相互作用:干涉测量实验和 MD 模拟的启示
Journal of Molecular Liquids Pub Date : 2024-02-01 DOI: 10.1016/j.molliq.2024.124265
Delian Yang, Deyong He, Ying Huang, Litao Ma, Ruixia Yang, Ming Duan, Shenwen Fang, Yan Xiong
{"title":"Real-time and quantitative investigation of zwitterionic surfactant interaction at oil-water interface: Interferometry experimental and MD simulation insights","authors":"Delian Yang, Deyong He, Ying Huang, Litao Ma, Ruixia Yang, Ming Duan, Shenwen Fang, Yan Xiong","doi":"10.1016/j.molliq.2024.124265","DOIUrl":"https://doi.org/10.1016/j.molliq.2024.124265","url":null,"abstract":"","PeriodicalId":510279,"journal":{"name":"Journal of Molecular Liquids","volume":"24 3","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139871878","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
Lenvatinib-valproic acid self nanoemulsifying preconcentrate for the treatment of liver cancer 用于治疗肝癌的乐伐替尼-丙戊酸自身纳米乳化预浓缩物
Journal of Molecular Liquids Pub Date : 2024-02-01 DOI: 10.1016/j.molliq.2024.124263
Rehab Hegazy, Drishti Rathod, Aishwarya L. Saraswat, Richa Vartak, Aaron Muth, Ketan Patel
{"title":"Lenvatinib-valproic acid self nanoemulsifying preconcentrate for the treatment of liver cancer","authors":"Rehab Hegazy, Drishti Rathod, Aishwarya L. Saraswat, Richa Vartak, Aaron Muth, Ketan Patel","doi":"10.1016/j.molliq.2024.124263","DOIUrl":"https://doi.org/10.1016/j.molliq.2024.124263","url":null,"abstract":"","PeriodicalId":510279,"journal":{"name":"Journal of Molecular Liquids","volume":"6 4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139879068","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
Targeting the main SARS-Cov-2 pathways with peptide inhibitors by molecular docking and molecular simulation approaches 通过分子对接和分子模拟方法用多肽抑制剂靶向 SARS-Cov-2 的主要途径
Journal of Molecular Liquids Pub Date : 2024-02-01 DOI: 10.1016/j.molliq.2024.124193
Jianchang Jin, Nan Wang, Shilei Wang, Fahad Alsaikhan, Irfan Ahmad
{"title":"Targeting the main SARS-Cov-2 pathways with peptide inhibitors by molecular docking and molecular simulation approaches","authors":"Jianchang Jin, Nan Wang, Shilei Wang, Fahad Alsaikhan, Irfan Ahmad","doi":"10.1016/j.molliq.2024.124193","DOIUrl":"https://doi.org/10.1016/j.molliq.2024.124193","url":null,"abstract":"","PeriodicalId":510279,"journal":{"name":"Journal of Molecular Liquids","volume":"5 12","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139873773","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
Amino-functionalized silica as a component of heat-transfer fluids 作为传热流体成分的氨基功能化二氧化硅
Journal of Molecular Liquids Pub Date : 2024-02-01 DOI: 10.1016/j.molliq.2024.124195
Marta Kalbarczyk, Sebastian Skupiński, Marek Kosmulski
{"title":"Amino-functionalized silica as a component of heat-transfer fluids","authors":"Marta Kalbarczyk, Sebastian Skupiński, Marek Kosmulski","doi":"10.1016/j.molliq.2024.124195","DOIUrl":"https://doi.org/10.1016/j.molliq.2024.124195","url":null,"abstract":"","PeriodicalId":510279,"journal":{"name":"Journal of Molecular Liquids","volume":"87 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139877779","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
Probing the nucleation and growth mechanism of hydrates in emulsion system under the influence of asphaltenes: A molecular dynamics simulation study 探究沥青质影响下乳液体系中水合物的成核和生长机制:分子动力学模拟研究
Journal of Molecular Liquids Pub Date : 2024-02-01 DOI: 10.1016/j.molliq.2024.124347
Jie Zhang, Chuanxian Li, Lei Shi, Fujun Sheng, Fei Yang, Bo Yao, Guangyu Sun
{"title":"Probing the nucleation and growth mechanism of hydrates in emulsion system under the influence of asphaltenes: A molecular dynamics simulation study","authors":"Jie Zhang, Chuanxian Li, Lei Shi, Fujun Sheng, Fei Yang, Bo Yao, Guangyu Sun","doi":"10.1016/j.molliq.2024.124347","DOIUrl":"https://doi.org/10.1016/j.molliq.2024.124347","url":null,"abstract":"","PeriodicalId":510279,"journal":{"name":"Journal of Molecular Liquids","volume":"542 ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140468442","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
Mechanistic insights into inhibition of CCL2-guided leukocyte recruitment by oxyresveratrol and its derivatives 氧白藜芦醇及其衍生物抑制 CCL2 引导的白细胞招募的机理研究
Journal of Molecular Liquids Pub Date : 2024-02-01 DOI: 10.1016/j.molliq.2024.124218
D. K. Tripathi, Nupur Nagar, G. Naidu, Viney Kumar, Partha Roy, Dinesh Kumar, K. Poluri
{"title":"Mechanistic insights into inhibition of CCL2-guided leukocyte recruitment by oxyresveratrol and its derivatives","authors":"D. K. Tripathi, Nupur Nagar, G. Naidu, Viney Kumar, Partha Roy, Dinesh Kumar, K. Poluri","doi":"10.1016/j.molliq.2024.124218","DOIUrl":"https://doi.org/10.1016/j.molliq.2024.124218","url":null,"abstract":"","PeriodicalId":510279,"journal":{"name":"Journal of Molecular Liquids","volume":"166 5","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139885793","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
The adsorption characteristics of organic contaminants on graphene oxide coated alumina substrate: Experiments and molecular dynamics simulations 有机污染物在氧化石墨烯涂层氧化铝基底上的吸附特性:实验与分子动力学模拟
Journal of Molecular Liquids Pub Date : 2024-02-01 DOI: 10.1016/j.molliq.2024.124224
Yuhao Dou, Qing-Xi Bai, Wanmin Guo, Hongfei Wang, Shandeng Chen
{"title":"The adsorption characteristics of organic contaminants on graphene oxide coated alumina substrate: Experiments and molecular dynamics simulations","authors":"Yuhao Dou, Qing-Xi Bai, Wanmin Guo, Hongfei Wang, Shandeng Chen","doi":"10.1016/j.molliq.2024.124224","DOIUrl":"https://doi.org/10.1016/j.molliq.2024.124224","url":null,"abstract":"","PeriodicalId":510279,"journal":{"name":"Journal of Molecular Liquids","volume":"36 3","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139882168","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
Shrimp shell waste-modified natural wood and its use as a reservoir of corrosion inhibitor (L-arginine) for brass in 3% NaCl medium: Experimental and theoretical studies 虾壳废料改性天然木材及其作为黄铜在 3% 氯化钠介质中的缓蚀剂(L-精氨酸)储存库的用途:实验和理论研究
Journal of Molecular Liquids Pub Date : 2024-02-01 DOI: 10.1016/j.molliq.2024.124330
Hamza Oulad Idriss, N. B. Seddik, Mohamed Achache, Salaheddine Rami, Youssef Zarki, Ayoub Ennamri, Fatima Janoub, D. Bouchta, F. Chaouket, I. Raissouni
{"title":"Shrimp shell waste-modified natural wood and its use as a reservoir of corrosion inhibitor (L-arginine) for brass in 3% NaCl medium: Experimental and theoretical studies","authors":"Hamza Oulad Idriss, N. B. Seddik, Mohamed Achache, Salaheddine Rami, Youssef Zarki, Ayoub Ennamri, Fatima Janoub, D. Bouchta, F. Chaouket, I. Raissouni","doi":"10.1016/j.molliq.2024.124330","DOIUrl":"https://doi.org/10.1016/j.molliq.2024.124330","url":null,"abstract":"","PeriodicalId":510279,"journal":{"name":"Journal of Molecular Liquids","volume":"130 ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140463662","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 and mechanism analysis of a non-toxic amine-based clay mineral surface hydration intercalation inhibitor 一种无毒胺基粘土矿物表面水合插层抑制剂的合成与机理分析
Journal of Molecular Liquids Pub Date : 2024-02-01 DOI: 10.1016/j.molliq.2024.124362
Shilin Chen, Danchao Huang, Zhaoyang Xu, Yang Bai, Gang Xie, Xin Li, Hong Chen, Cun Zhou, Pingya Luo, Rusen Feng
{"title":"Synthesis and mechanism analysis of a non-toxic amine-based clay mineral surface hydration intercalation inhibitor","authors":"Shilin Chen, Danchao Huang, Zhaoyang Xu, Yang Bai, Gang Xie, Xin Li, Hong Chen, Cun Zhou, Pingya Luo, Rusen Feng","doi":"10.1016/j.molliq.2024.124362","DOIUrl":"https://doi.org/10.1016/j.molliq.2024.124362","url":null,"abstract":"","PeriodicalId":510279,"journal":{"name":"Journal of Molecular Liquids","volume":"225 ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140470177","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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