Density Functional Theory Studies on Zeolitic Imidazolate Framework‑8 and Ionic Liquid-Based Composite Materials

Autor: Anoopa Thomas, K. Rudharachari Maiyelvaganan, Shanmugasundaram Kamalakannan, Muthuramalingam Prakash

Publikováno v: ACS Omega, Vol 4, Iss 27, Pp 22655-22666 (2019)

Externí odkaz: https://doaj.org/article/7978614ddb2f4131b6ce66718a1fe51c

In silico screening of potential antiviral inhibitors against SARS-CoV-2 main protease

Autor: Kandhan Palanisamy, K. Rudharachari Maiyelvaganan, Shanmugasundaram Kamalakannan, Ramasamy Thilagavathi, Chelliah Selvam, Muthuramalingam Prakash

Publikováno v: Molecular Simulation. 49:175-185

Respiratory illness due to SARS-CoV-2 emerged in 2019 and has a significant morbidity and mortality rate. The main protease (Mpro) is mainly responsible for the viral replications, which acts as a good drug target to inhibit SARS-CoV-2 related diseas

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::83e88a24c47398ac1451c8c691c52cf6
https://doi.org/10.1080/08927022.2022.2136392

Identification of a Grotthuss proton hopping mechanism at protonated polyhedral oligomeric silsesquioxane (POSS) – water interface

Autor: Shanmugasundaram Kamalakannan, Swaminathan Shanmugan, Majdi Hochlaf, Muthuramalingam Prakash, K.R. Maiyelvaganan, François-Xavier Coudert

Publikováno v: Journal of Colloid and Interface Science
Journal of Colloid and Interface Science, Elsevier, 2022, 605, pp.701-709. ⟨10.1016/j.jcis.2021.07.115⟩

International audience; The attachment and dissociation of a proton from a water molecule and the proton transfers at solidliquid interfaces play vital roles in numerous biological, chemical processes and for the development of sustainable functional

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5494cc44f42f3865d585142c6807788c
https://doi.org/10.1016/j.jcis.2021.07.115

Design and Synthesis of the D−π–A-Structured Coadsorbents with the Phenanthraquinone Core and Its Application in Dye-Sensitized Solar Cells

Autor: Shanmugasundaram Kamalakannan, Pranavamoorthy Karthika, S. Ganesan, Muthuramalingam Prakash

Publikováno v: The Journal of Physical Chemistry C. 124:9886-9899

Highly efficient different coadsorbents using phenanthraquinone coupled with benzene/naphthalene as the donor (D), benzene acting as the π-spacer (π), and variation in acceptor (A) like aromatic/al...

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::ea4143e20e0437d39aa43f9c55d7cc5c
https://doi.org/10.1021/acs.jpcc.9b12042

Role of Functional Groups in an Ionic Liquid Decorated Au(111) Surface for CO2 Capture and Activation: A First Principle Approach

Autor: K Rudharachari Maiyelvaganan, Muthuramalingam Prakash, Dr. Shanmugasundaram Kamalakannan

Publikováno v: Journal of The Electrochemical Society. 169:056524

A heterogeneous catalytic environment plays a major role to decide the catalytic activation and conversion of the CO2 molecule at the interface. For this, we have chosen functionalized 1-ethyl-3-methylimidazolium cation (i.e. [EMIm-Z]+[X]−; Where,

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::d43cc10e4514071772b4261a9b2de723
https://doi.org/10.1149/1945-7111/ac71d6