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检索条件"主题词=computational study"
547 条 记 录,以下是1-10 订阅
排序:
Characterization, Antibacterial Evaluation and computational study of Synthesized 4,5-bis(Hydroxymethyl)-2-Methylpyridin-3-ol Tetraphenylborate Ion-Pair Complex
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CHEMISTRYOPEN 2025年 第3期14卷 e202400422页
作者: Bakheit, Ahmed H. Al-Agamy, Mohamed H. Al-Salahi, Rashad Ali, Essam Alrabiah, Haitham Mostafa, Gamal A. E. King Saud Univ Coll Pharm Dept Pharmaceut Chem POB 2457 Riyadh 11451 Saudi Arabia King Saud Univ Coll Pharm Dept Pharmaceut POB 2457 Riyadh 11451 Saudi Arabia
The synthesis of 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol tetraphenylborate complex in water using an anion exchange process yielded more than 76 %. The resulting white complex was obtained and characterized using ... 详细信息
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Impacts of sac centreline length on hemodynamic of Anterior Cerebral Artery for rupture risk analysis via computational study
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INTERNATIONAL JOURNAL OF MODERN PHYSICS C 2025年 第4期36卷
作者: Basem, Ali Jasim, Dheyaa J. Al Bahadli, Yusra A. Mausam, Kuwar Abdulameer, Maha Khalid Almasoudie, Najah Kadum Alian Al-Hussainy, Ali Fawzi Mansoor, Aseel Salah Bahair, Hala Idan, Ameer Hassan Warith Al Anbiyaa Univ Fac Engn Karbala Iraq Al Amarah Univ Coll Dept Petr Engn Maysan Iraq Univ Kerbala Coll Engn Karbala Iraq GLA Univ Inst Engn & Technol Dept Mech Engn Mathura Uttar Pradesh India Al Noor Univ Coll Dept Radiol & Sonar Tech Nineveh Iraq Natl Univ Sci & Technol Coll Pharm Dhi Qar Iraq Ahl Al Bayt Univ Coll Pharm Kerbala Iraq Gilgamesh Ahliya Univ Med Tech Coll Baghdad Iraq Al Farahidi Univ Med Tech Coll Baghdad Iraq Al Zahrawi Univ Coll Dept Pharm Karbala Iraq
Intracranial aneurysms (IAs) are focal dilations of the cerebral arteries that pose a significant risk of rupture, leading to potentially devastating consequences such as subarachnoid hemorrhage. Understanding the hem... 详细信息
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Metal-organic frameworks as cathode electrocatalysts for Li-O2 batteries: A computational study of NiBTC and CuBTC by molecular dynamic simulation
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CHEMICAL PHYSICS LETTERS 2025年 862卷
作者: Sadeghi, Ali Ghaffarinejad, Ali Alemnezhad, Mohammad Mahdi Iran Univ Sci & Technol Fac Chem Res Lab Real Samples Anal Tehran *** Iran Iran Univ Sci & Technol Electroanalyt Chem Res Ctr Tehran *** Iran
This study investigates metal-organic frameworks (MOFs) as cathode electrocatalysts for lithium-oxygen batteries, comparing NiBTC and CuBTC. Using molecular dynamics simulations and geometry optimization, the structur... 详细信息
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Enhanced antimicrobial activity of microbial cellulose hydrogel crosslinked by citric acid: An experimental and computational study
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Journal of Molecular Liquids 2025年 424卷
作者: Ahmadi, Shabnam Pourebrahimi, Sina Rezaee, Abbas Department of Environmental Health Engineering Faculty of Medical Sciences Tarbiat Modares University Tehran Iraq Department of Chemical and Materials Engineering Concordia University 7141 Sherbrooke Street West MontréalQCH4B 1R6 Canada
In the present study, a carboxymethyl cellulose hydrogel (CMCH) based on microbial cellulose was synthesized through crosslinking cellulose with citric acid (CA) to improve the antimicrobial activity. Besides, its ant... 详细信息
来源: 评论
computational Simulation study-Based Formulation Development and Characterization of MethylprednisoloneLoaded Nanoparticles Containing Chitosan and Pectin to Treat Nocturnal Asthma
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POLYMERS 2025年 第1期17卷 24-24页
作者: Voleti, Vijaya Kumar Yusuff, Ismail Abdulkadhar, Mohamed Jalaludeen Al-Sadoon, Mohammad Khalid BS Abdur Rahman Crescent Inst Sci & Technol Crescent Sch Pharm GST Rd Chennai 600048 Tamil Nadu India BS Abdur Rahman Crescent Inst Sci & Technol Crescent Global Outreach Mission Res & Dev GST Rd Chennai 600048 Tamil Nadu India King Saud Univ Dept Zool Coll Sci POB 62521 Riyadh 11451 Saudi Arabia
Nocturnal asthma (NA) is a high-prevalence disease that causes severe respiratory issues, leading to death from early midnight to early morning. In this research, nanoparticulate drug delivery system of methylpredniso... 详细信息
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computational study of the hydrolysis of carbonyl sulphide: Thermodynamics and kinetic constants estimation using ab initio calculations
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JOURNAL OF CHEMICAL THERMODYNAMICS 2017年 110卷 154-161页
作者: Vidal-Vidal, A. Perez-Rodriguez, M. Pineiro, M. M. Univ Vigo Dept Fis Aplicada Vigo Spain
Carbonyl sulphide is the predominant sulphur compound in the atmosphere, contributing to the formation of aerosol particles affecting global climate. Human activity has significantly increased its total amount since t... 详细信息
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computational study of a latent heat thermal energy storage system enhanced by highly conductive metal foams and heat pipes
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JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY 2020年 第5期141卷 1741-1751页
作者: Tiari, Saeed Mahdavi, Mahboobe Gannon Univ Biomed Ind & Syst Engn Dept Erie PA 16541 USA Gannon Univ Dept Mech Engn Erie PA USA
Numerical simulations are performed to analyze the thermal characteristics of a latent heat thermal energy storage system with phase change material embedded in highly conductive porous media. A network of finned heat... 详细信息
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computational study on planar dominating set problem
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THEORETICAL COMPUTER SCIENCE 2009年 第52期410卷 5455-5466页
作者: Marzban, Marjan Gu, Qian-Ping Jia, Xiaohua Simon Fraser Univ Sch Comp Sci Burnaby BC V5A 1S6 Canada City Univ Hong Kong Dept Comp Sci Hong Kong Hong Kong Peoples R China
Recently, there has been significant theoretical progress towards fixed-parameter algorithms for the DOMINATING SET problem of planar graphs. It is known that the problem on a planar graph with n vertices and dominati... 详细信息
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computational study of transverse Peltier coolers for low temperature applications
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INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER 2013年 第1期62卷 373-381页
作者: Ali, Syed Ashraf Mazumder, Sandip Ohio State Univ Dept Mech & Aerosp Engn Columbus OH 43210 USA
Transverse thermoelectric effect can be produced artificially by stacking at an angle layers of a thermoelectric material with another material that may or may not be a thermoelectric material. In this exploratory com... 详细信息
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computational study of water transport in proton exchange membrane fuel cells
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JOURNAL OF POWER SOURCES 2006年 第2期156卷 211-223页
作者: Um, Sukkee Wang, Chao-Yang Korea Inst Energy Res Fuel Cell Res Ctr Taejon 305600 South Korea Penn State Univ University Pk PA 16802 USA
A computational fuel cell dynamics framework is used to develop a unified water transport equation for a proton exchange membrane fuel cell (PEMFC). Various modes of water transport, i.e., diffusion, convection and el... 详细信息
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