Výsledky vyhledávání - "Y. Shyma Mary"

Akademický článek

Synthesis, crystal structure, molecular dynamics, docking and in-vitro studies of cyclododecanonethiosemicarbazone, a promising anti tuberculosis agent

Autor: Jisha George, G. Rathika Nath, Y. Sheena Mary, Y. Shyma Mary, Jamelah S. Al-Otaibi, K. Rajesh

Publikováno v: Results in Chemistry, Vol 5, Iss , Pp 100889- (2023)

Cyclododecanonethiosemicarbazone (CDT), crystallises in triclinic crystal system in spacegroup P-1 having unit cell parameters as a = 5.6152(2)Å, b = 8.3747(4) Å, c = 16.1901(7) Å, α = 91.186(2)°, β = 90.880(2)° and γ = 108.014(2)°, V = 723.

Externí odkaz: https://doaj.org/article/f8c1198836924a0aa62b8963f435d634

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Akademický článek

Conformational analysis and quantum descriptors of two new imidazole derivatives by experimental, DFT, AIM, molecular docking studies and adsorption activity on graphene

Autor: Veena S. Kumar, Y. Sheena Mary, Kiran Pradhan, Dhiraj Brahman, Y. Shyma Mary, Goncagül Serdaroğlu, Ali Shokuhi Rad, M.S. Roxy

Publikováno v: Heliyon, Vol 6, Iss 10, Pp e05182- (2020)

1-[2-(2-hydroxy-3-methoxy-5-(4-methoxyphenylazo)benzaldeneamino)ethyl]-3-methyl-3H-imidazole (HMY) and 1-[2-(2-hydroxy-3-methoxy-5-(4-methylphenylazo)benzaldene amino)ethyl]-3-methyl-3H-imidazole (HMM) were synthesized and characterized using spectra

Externí odkaz: https://doaj.org/article/24d5b2f143bb43febc50c80e7b3fa057

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Akademický článek

Detailed quantum mechanical, molecular docking, QSAR prediction, photovoltaic light harvesting efficiency analysis of benzil and its halogenated analogues

Autor: Y. Shyma Mary, Y. Sheena Mary, K.S. Resmi, Veena S. Kumar, Renjith Thomas, B. Sureshkumar

Publikováno v: Heliyon, Vol 5, Iss 11, Pp e02825- (2019)

The structural, spectroscopic various physico-chemical and biological characteristics of the organic molecule benzil (BZL) and derivatives, 1,2-bis(4-methylphneyl)-1,2-ethanedione (DMB), 4,4′-difluorobenzil (DFB), 4,4′-dichlorobenzil (DCB) and 4,

Externí odkaz: https://doaj.org/article/bbec240364da463eb20dc43b59ec0fff

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