Results 21 to 30 of about 40,239 (260)

Computer quantum chemical modeling of the interaction of calcium phosphate with amino acids

Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, 2022
In this work, a quantum-chemical modeling of the process of interaction of calcium phosphate with amino acids was carried out. Within the framework of the quantum chemical modeling, the total energy of the molecular complex E, the energy difference ...
A.A. Blinova, A.V. Blinov, M.A. Pirogov, D.G. Maglakelidze, A.A. Yakovenko   +4 more
doaj   +1 more source

Development of a biologically active nanosystem based on riboflavin, a microelement of copper and L-lysine amino acid

Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, 2023
А biologically active nanosystem based on riboflavin, copper microelement and the amino acid lysine copper lysinatoriboflavinate has been developed. The obtained sample of the biologically active additive was studied by a complex of modern methods of ...
A.V. Blinov, A.B. Golik, A.A. Gvozdenko, E.S. Kastarnova, V.A. Orobets, A.A. Yakovenko, T.N. Bakholdina   +6 more
doaj   +1 more source

QUANTUM-CHEMICAL MODELING OF BISMUTH’S HYDROGENATED CLUSTERS [PDF]

Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, 2013
The paper presents the results of calculations of structure and energy parameters of BinHm nanoclusters by quantum-chemical methods.
E.N. Gribanov, O.I. Markov, Yu.V. Hripunov   +2 more
doaj  

Information and Statistical Measures in Classical vs. Quantum Condensed-Matter and Related Systems

Entropy, 2020
The presented editorial summarizes in brief the efforts of ten (10) papers collected by the Special Issue (SI) “Condensed-Matter-Principia Based Information & Statistical Measures: From Classical to Quantum”.
Adam Gadomski, Sylwia Zielińska-Raczyńska   +1 more
doaj   +1 more source

DETERMINATION OF THE OPTIMAL CONFIGURATION OF TRIPLE CHELATE COMPLEXES OF THE ESSENTIAL TRACE ELEMENT ZINC WITH VITAMIN C AND ESSENTIAL AMINO ACIDS

Современная наука и инновации, 2023
Within the framework of this work, the optimal configuration of triple chelate complexes of the trace element zinc with vitamin C and essential amino acids was determined using computer quantum chemical modeling.
A. V. Blinov, M. A. Pirogov, A. A. Gvozdenko, Al. B. Golik, A. A. Yakovenko, A. A. Blinova   +5 more
doaj   +1 more source

Structure, Z′ = 2 Crystal Packing Features of 3-(2-Chlorobenzylidene)-5-(p-tolyl)furan-2(3H)-one

Molecules, 2021
3-(2-Chlorobenzylidene)-5-(p-tolyl)furan-2(3H)-one (1), C18H13ClO2, crystallizes with Z = 8 and Z′ = 2, and the structure at 100 K has orthorhombic (Pna21) symmetry.
Vyacheslav S. Grinev, Oksana A. Mayorova, Tatyana V. Anis’kova, Alexandra S. Tikhomolova, Alevtina Yu. Yegorova   +4 more
doaj   +1 more source

Recovery of Vanadium (V) Oxyanions by a Magnetic Macroporous Copolymer Nanocomposite Sorbent

Metals, 2021
An amino-functionalized magnetic macroporous copolymer of glycidyl methacrylate (GM) and ethylene glycol (E) dimethacrylate (m-poly(GME)-deta) was synthesized, fully characterized, and used to investigate the adsorption of vanadium (V) oxyanions from ...
Ljiljana Suručić, Tamara Tadić, Goran Janjić, Bojana Marković, Aleksandra Nastasović, Antonije Onjia   +5 more
doaj   +1 more source

Discovery of Novel Liver-Stage Antimalarials through Quantum Similarity. [PDF]

PLoS ONE, 2015
Without quantum theory any understanding of molecular interactions is incomplete. In principal, chemistry, and even biology, can be fully derived from non-relativistic quantum mechanics.
David J Sullivan, Yi Liu, Bryan T Mott, Nikola Kaludov, Martin N Martinov   +4 more
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The Quantum chemical substantiation of the enrichment of dairy products with selenium-containing nanoscale systems

Современная наука и инновации
Within the framework of this work, a quantum chemical substantiation of the enrichment of dairy products with selenium-containing nanoscale systems was carried out using the quantum chemical modeling method in the IQmol molecular editor using the QChem ...
Z. A. Rekhman, M. A. Pirogov, A. V. Serov, I. M. Shevchenko, A. V. Blinov   +4 more
doaj   +1 more source

Antioxidant activity of melatonin and glutathione interacting with hydroxyl- and superoxide anion radicals

The Ukrainian Biochemical Journal, 2017
Based on the analysis of the results obtained by quantum chemical modeling of interaction between reduced glutathione (GSH) and melatonin (MLT) molecules with oxygen radicals (•OH and • OOˉ) it was found that this interaction occured following the acid ...
T. Y. Kuznetsova, N. V. Solovyova, V. V. Solovyov, V. O. Kostenko   +3 more
doaj   +1 more source