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Synthesis, identification, density functional and Hirshfeld surface studies of 2,20-disulfanediylbis(tetrahydro-4Hcyclopenta[ d][1,3,2]dioxaphosphole-2-sulfide)
(Wiley, 2021)
The new compound 2,20-disulfanediylbis (tetrahydro-4H-cyclo penta[d][1,3,2]
dioxaphosphole 2-sulfide), the dimeric form of 2-mercaptotetrahydro-4H-cyclopenta
[d] [1,3,2] dioxaphosphole 2-sulfide, has been synthesized and ...
Carbazole derivatives: Synthesis, spectroscopic characterization, antioxidant activity, molecular docking study, and the quantum chemical calculations
(Elsevier, 2021)
A various carbazole derivativeswere synthesized for the synthesis 2,3-Dihydro-1H-carbazol-4(9H)-one O-acetyl
oxime (3), ethyl 2-(2,3,4,9-tetrahydrospiro[carbazole-1,2 -[1,3]dithiolane]-2-yl)acetate (5), 2- hydroxyethyl
...
The composite microbeads of alginate, carrageenan, gelatin, and poly(lactic-co-glycolic acid): Synthesis, characterization and Density Functional Theory calculations
(Elsevier, 2021)
Binary (AC, AG), ternary (ACG, ACP, AGP), quaternary (ACGP) composite beads of alginate (A), carrageenan
(C), gelatin (G), and poly (lactic-co-glycolic acid) (P) were prepared. The dried beads had a
700 μm average diameter. ...
Two empirical formulae for estimating standard entropy of inorganic ionic solids and a possible connection between two associated electronic structure principles
(Elsevier, 2021)
Two empirical formulae for estimating the standard entropies of some inorganic ionic solids are proposed.
Linear relations are suggested between the standard entropy and the cube root of the formula unit
volume as well ...
Some identities involving multiplicative semiderivations on ideals
(Hacettepe Journal of Mathematics & Statistics, 2021)
Let R be a prime ring and I be a nonzero ideal of R. A mapping d : R → R is called a
multiplicative semiderivation if there exists a function g : R → R such that (i) d(xy) =
d(x)g(y)+xd(y) = d(x)y +g(x)d(y) and (ii) ...
Could boron-containing compounds (BCCs) be effective against SARS-CoV-2 as anti-viral agent?
(2021)
BACKGROUND: Seven dioxaborole compounds are investigated in this study. Structural and spectral
characterizations are done at the M062X/6-31+G(d,p) level in water. Active sites of these compounds are
determined by contour ...
Investigations substituent effect on structural, spectral and optical properties of phenylboronic acids
(2021)
Ortho- and para-substituent arylboronic acid are investigated. Geometric structure and structural proper- ties of these compounds are done. IR and NMR spectrum are calculated for the spectral characterizations. Contour ...
A combined molecular dynamic simulation, DFT calculations, and experimental study of the eriochrome black T dye adsorption onto chitosan in aqueous solutions
(Elsevier, 2021)
This study aims to evaluate and understand the adsorption of eriochrome black T (EB) by chitosan extracted from
local shrimp shells under different experimental conditions. Chitosan samples were characterized by XRD, ...
Hydroxy phenyl hydrazides and their role as corrosion impeding agent: A detail experimental and theoretical study
(Elsevier, 2021)
This study presents synthesis of environmentally benign corrosion inhibitors, hydroxy acetophenone derivative
namely, N′-(1-(2-hydroxyphenyl) ethylidene) acetohydrazide (ATOH), N′-(1-(2-hydroxyphenyl) ethylidene)
benzohydrazide ...
Anticorrosive and antioxidant effect of the aqueous extract of the leaves, flowers, and stems of Cistus monspeliensis L: Experimental and computational study
(Elsevier, 2021)
The objective of this study is to contribute to the promotion of Cistusmonspeliensis L (CM) plant as a green inhibitor
of mild steel in a hydrochloric acid solution that behaves as a source for ecological guarantee high ...