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Exploring 1,3,4-Oxadiazole derivatives of 3,4-Dihydroxyphenylacetic acid as potent α-glucosidase inhibitors: Synthesis, structure-activity relationship, molecular docking, and DFT studies 期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2025, 卷号: 1327, 页码: 11
作者:  Khan, Hammad;  Jan, Faheem;  Aqsa;  Ullah, Qudrat;  Alasmari, Abdullah F.;  Alasmari, Fawaz;  Khan, Ajmal;  Ullah, Saeed;  Alam, Aftab;  Al-Harrasi, Ahmed;  Khan, Momin;  Ali, Shaukat
收藏  |  浏览/下载：3/0  |  提交时间：2025/04/27
Oxadiazole  & Acy  3,4-dihydroxyphenylacetic acid  Spectroscopy  Molecular docking and DFT  -glucosidase  
Exploring the hetero-catalytic proficiencies of pristine and carbon-doped titania nanocatalysts in dye degradation and their synergetic profiles against bacteria 期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2025, 卷号: 1319, 页码: 9
作者:  Ghumro, Seema Sarwar;  Lal, Bhajan;  Pirzada, Tajnees;  Qazi, Muneer Ahmed;  Ali, Akbar;  Altaf, Ataf Ali;  Thebo, Khalid Hussain;  Kazi, Mohsin
收藏  |  浏览/下载：2/0  |  提交时间：2025/04/27
Carbon-doped TiO 2  Hydrothermal method  Photocatalytic degradation  Methylene blue  Viruses  
Thiosemicarbazone derivatives as potent antidiabetic agents: Synthesis, in vitro, molecular docking and DFT investigations 期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2024, 卷号: 1311, 页码: 15
作者:  Jan, Faheem;  Idris, Sana;  Waheed, Mahnoor;  Alam, Aftab;  Alasmari, Abdullah F.;  Alasmari, Fawaz;  Khan, Momin
收藏  |  浏览/下载：1/0  |  提交时间：2025/04/27
Thiosemicarbazones  Hydrazone-Schiff bases  Diabetes mellitus  alpha-glucosidase  alpha-amylase  DFT and molecular docking  
Tailoring the graphene framework by embedding Nb2O5 and silver nanoparticles for electrodes in energy storage applications 期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2024, 卷号: 1309, 页码: 11
作者:  Khanum, Urooj;  Shabbir, Muhammad Kaleem;  Shaikh, Qurat-ul-ain;  Akhtar, Javeed;  Fatima, Ayesha;  Kazi, Mohsin;  Arshad, Muhammad;  Irshad, Muhammad;  Thebo, Khalid Hussain
收藏  |  浏览/下载：1/0  |  提交时间：2025/04/27
Niobium oxide  Silver nanoparticles  Graphene  Electrode material  Electrochemical properties  
Nicotinonitriles as potential inhibitors of α-glucosidase, tyrosinase, and urease enzymes: Synthesis, characterization, in vitro, and in silico studies 期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2024, 卷号: 1305, 页码: 21
作者:  Khan, Maaz;  Ambreen, Nida;  Saleem, Faiza;  Lodhi, Muhammad Arif;  Jan, Faheem;  Kamal, Masroor;  Salar, Uzma;  Taha, Muhammad;  Khan, Khalid Mohammed
收藏  |  浏览/下载：1/0  |  提交时间：2025/04/27
Pyridine  alpha -Glucosidase inhibition  Tyrosinase inhibition  Urease inhibition  Computational studies  
Multifaceted bioactivity of thiosemicarbazide derivatives: Synthesis, characterization, and DFT investigations on inhibition of α-amylase, hydroxyl radical scavenging, and iron chelating activities with molecular docking insights 期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2024, 卷号: 1304, 页码: 13
作者:  Idris, Sana;  Jan, Faheem;  Waheed, Mahnoor;  Alam, Aftab;  Ibrahim, Muhammad;  Alasmari, Abdullah F.;  Alasmari, Fawaz;  Bo, Li;  Khan, Momin
收藏  |  浏览/下载：1/0  |  提交时间：2025/04/27
Thiosemicarbazide  alpha-amylase  Anti-oxidant  NMR  Molecular docking  DFT  
Multifaceted bioactivity of thiosemicarbazide derivatives: Synthesis, characterization, and DFT investigations on inhibition of α-amylase, hydroxyl radical scavenging, and iron chelating activities with molecular docking insights 期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2024, 卷号: 1304, 页码: 13
作者:  Idris, Sana;  Jan, Faheem;  Waheed, Mahnoor;  Alam, Aftab;  Ibrahim, Muhammad;  Alasmari, Abdullah F.;  Alasmari, Fawaz;  Bo, Li;  Khan, Momin
收藏  |  浏览/下载：1/0  |  提交时间：2025/04/27
Thiosemicarbazide  alpha-amylase  Anti-oxidant  NMR  Molecular docking  DFT  
Anticorrosion performance of nicotinic acid and nicotinic acid hydrazide blended with optimized potassium iodide against Q235 steel corrosion in acid-chloride medium 期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2024, 卷号: 1297, 页码: 19
作者:  Njoku, Annuncieta C.;  Njoku, Demian I.;  Nwanonenyi, Simeon C.;  Anyanwu, Placid I.;  Onyeachu, Ikenna B.;  El Ibrahimi, Brahim
收藏  |  浏览/下载：1/0  |  提交时间：2025/04/27
Synergisms  impedance spectroscopy  surface imagine  inhibition  XPS method  DFT  Monte Carlo  
Anticorrosion performance of nicotinic acid and nicotinic acid hydrazide blended with optimized potassium iodide against Q235 steel corrosion in acid-chloride medium 期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2024, 卷号: 1297, 页码: 19
作者:  Njoku, Annuncieta C.;  Njoku, Demian I.;  Nwanonenyi, Simeon C.;  Anyanwu, Placid I.;  Onyeachu, Ikenna B.;  El Ibrahimi, Brahim
收藏  |  浏览/下载：1/0  |  提交时间：2025/04/27
Synergisms  impedance spectroscopy  surface imagine  inhibition  XPS method  DFT  Monte Carlo  
Investigations of the local structures and the EPR g factors for V4+ and Cr4+ in Bi4Ge3O12 crystals 期刊论文
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2010, 卷号: 959, 期号: 1-3, 页码: 113-116
作者:  Zhang, Zhi-Hong;  Wu, Shao-Yi;  Li, Li-Li
收藏  |  浏览/下载：54/0  |  提交时间：2021/02/02
Electron paramagnetic resonance  V4+  Cr4+  Bi4Ge3O12