Zobrazeno 1 - 10 of 14 pro vyhledávání: '"Nisha Job"'
1
Akademický článek
In Silico Drug Design and Analysis of Dual Amyloid-Beta and Tau Protein-Aggregation Inhibitors for Alzheimer’s Disease Treatment
Autor: Nisha Job, Venkatesan S. Thimmakondu, Krishnan Thirumoorthy
Publikováno v: Molecules, Vol 28, Iss 3, p 1388 (2023)
Alzheimer’s disease (AD) is a progressive and irreversible neurodegenerative disorder that gradually leads to the state of dementia. The main features of AD include the deposition of amyloid-beta peptides (Aβ), forming senile plaques, and the deve
Externí odkaz: https://doaj.org/article/599fe62e73b04827ae80e20a37729882
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2
Akademický článek
Al2C4H2 Isomers with the Planar Tetracoordinate Carbon (ptC)/Aluminum (ptAl)
Autor: Abdul Hamid Malhan, Sony Sobinson, Nisha Job, Shilpa Shajan, Surya Prakash Mohanty, Venkatesan S. Thimmakondu, Krishnan Thirumoorthy
Publikováno v: Atoms, Vol 10, Iss 4, p 112 (2022)
Forty-one isomers of Al2C4H2 that lie within 50 kcal mol−1 are theoretically identified in this work using density functional theory. Among these, isomers 3 and 14 contain a planar tetracoordinate carbon (ptC) atom that lies at 3.3 and 16.9 kcal mo
Externí odkaz: https://doaj.org/article/653a471be76c4de6a25ec0ba9ab010df
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3
Akademický článek
CAl4Mg0/−: Global Minima with a Planar Tetracoordinate Carbon Atom
Autor: Nisha Job, Maya Khatun, Krishnan Thirumoorthy, Sasanka Sankhar Reddy CH, Vijayanand Chandrasekaran, Anakuthil Anoop, Venkatesan S. Thimmakondu
Publikováno v: Atoms, Vol 9, Iss 2, p 24 (2021)
Isomers of CAl4Mg and CAl4Mg− have been theoretically characterized for the first time. The most stable isomer for both the neutral and anion contain a planar tetracoordinate carbon (ptC) atom. Unlike the isovalent CAl4Be case, which contains a pla
Externí odkaz: https://doaj.org/article/e3a5603d52be4000befc901b2e69e1b2
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6
In Silico Drug Design and Analysis of Dual Amyloid-Beta and Tau Protein-Aggregation Inhibitors for Alzheimer’s Disease Treatment
Autor: Krishnan Thirumoorthy, Venkatesan Thimmakondu Samy, NISHA JOB
Publikováno v: Molecules
Volume 28
Issue 3
Pages: 1388
Alzheimer’s disease (AD) is a progressive and irreversible neurodegenerative disorder that gradually leads to the state of dementia. The main features of AD include the deposition of amyloid-beta peptides (Aβ), forming senile plaques, and the deve
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1d977542531994c6694ca98cfc0a1887
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7
Chemical Bonding Perspective on Low-Lying SiC
Autor: Nisha, Job, Krishnan, Thirumoorthy
Publikováno v: The journal of physical chemistry. A. 126(50)
The nature of the chemical bonding in seven low-lying isomers of SiC
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::6a1e96bcaa0fa48127b7807e5771cb9c
https://pubmed.ncbi.nlm.nih.gov/36512698
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9
Theoretical Studies of SiC4H2 Isomers Delineate Three Low-Lying Silylidenes Are Missing in the Laboratory
Autor: Krishnan Thirumoorthy, Venkatesan S. Thimmakondu, Andrew L. Cooksy, Nisha Job, Amir Karton
Publikováno v: The Journal of Physical Chemistry A. 124:987-1002
Eleven isomers of SiC4H2 lying within 50 kcal mol-1 have been theoretically investigated using density functional theory and high-level coupled-cluster methods. Among them, four isomers, 1-ethynyl-3-silacycloprop-1(2)-en-3-ylidene (1), diethynylsilyl
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::e3843a2a4acd42c5915c7e51608660f2
https://doi.org/10.1021/acs.jpca.9b11742
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