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Приказ резултата 741-750 од 782
Structure, configuration, conformation and quantification of the push pull-effect of 2-alkylidene-4-thiazolidinones and 2-alkylidene-4,5-fused bicyclic thiazolidine derivatives
(Oxford : Pergamon-Elsevier Science Ltd, 2010)
Structures of a series of push-pull 2-alkylidene-4-thiazolidinones and 2-alkylidene-4,5-fused bicyclic thiazolidine derivatives were optimized at the B3LYP/6-31G(d) level of theory in the gas phase and discussed with respect ...
Magnetic Anisotropy of the C-C Single Bond
(Wiley-V C H Verlag Gmbh, Weinheim, 2013)
Anisotropic effects are broadly used in NMR spectroscopy for structure elucidation. With the development of computational methods it has become possible to quantify the effects and obtain further insight into their origin. ...
Silica Gel as a Promoter of Sequential Aza-Michael/Michael Reactions of Amines and Propiolic Esters: Solvent- and Metal-Free Synthesis of Polyfunctionalized Conjugated Dienes
(Wiley-V C H Verlag Gmbh, Weinheim, 2018)
We present an efficient, simple, metal- and solvent-free silica-gel-promoted synthesis of functionalized conjugated dienes by sequential aza-Michael/Michael reactions by starting from commercially available primary amines ...
Energy decomposition analysis of gauche preference in 2-haloethanol, 2-haloethylamine (halogen = F, Cl), their protonated forms and anti preference in 1-chloro-2-fluoroethane
(Royal Soc Chemistry, Cambridge, 2015)
2-Haloethanol and 2-haloethylamine (halogen = F, Cl) prefer gauche conformation. This preference is significantly increased upon protonation. Commonly used explanations are based on intramolecular hydrogen bonding and ...
H-1 NMR Chemical Shifts of Cyclopropane and Cyclobutane: A Theoretical Study
(American Chemical Society (ACS), 2013)
This study was undertaken in order to rationalize the peculiar H-1 NMR chemical shifts of cyclopropane (delta 0.22) and cyclobutane (delta 1.98) which are shifted upfield and downfield with respect to larger cycloalkanes ...
Cytotoxic studies of substituted titanocene and ansa-titanocene anticancer drugs
(Elsevier, 2008)
A variety of substituted titanocene and ansa-titanocene complexes have been synthesized and characterized using traditional methods.
The cytotoxic activity of the different titanocene complexes was tested against tumour ...
Antiproliferative activity of aroylacrylic acids. Structure-activity study based on molecular interaction fields
(Elsevier, 2011)
Antiproliferative activity of 27 phenyl-substituted 4-aryl-4-oxo-2-butenoic acids (aroylacrylic acids) toward Human cervix carcinoma (HeLa), Human chronic myelogenous leukemia (K562) and Human colon tumor (LS174) cell lines ...
Biological potential of extracts of the wild edible Basidiomycete mushroom Grifola frondosa
(Elsevier, 2015)
Partially purified polysaccharides (FP) and hot alkali extract (FNa) obtained from fruiting bodies of the wild basidiomycete Grifola frondosa were examined for their antimicrobial, antioxidant and cytotoxic activity. The ...
Antiproliferative and antibacterial activity of some glutarimide derivatives
(Taylor and Francis Ltd, 2016)
Antiproliferative and antibacterial activities of nine glutarimide derivatives (1–9) were reported. Cytotoxicity of compounds was tested toward three human cancer cell lines, HeLa, K562 and MDA-MB-453 by MTT assay. Compound ...
An alignment independent 3D QSAR study of the antiproliferative activity of 1,2,4,5-tetraoxanes
(Elsevier France-Editions Scientifiques Medicales Elsevier, Paris, 2010)
An alignment-free 3D QSAR study on antiproliferative activity of the thirty-three 1,2,4,5-tetraoxane derivatives toward two human dedifferentiated cell lines was reported. GRIND methodology, where descriptors are derived ...