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Cyanotoxins: Characteristics, production and degradation routes in drinking water treatment with reference to the situation in Serbia
(Oxford : Pergamon-Elsevier Science Ltd, 2013)
Cyanobacteria are members of phytoplankton of the surface freshwaters. The accelerated eutrophication of freshwaters, especially reservoirs for drinking water, by human activity has increased the occurrence and intensity ...
Computational study of the spin-state energies and UV-Vis spectra of bis(1,4,7-triazacyclononane) complexes of some first-row transition metal cations
(Royal Soc Chemistry, Cambridge, 2013)
We report here computed spin-state energies and UV-Vis spectra for several transition metal complexes with a triazacyclononane ligand. Our results show that the spin ground-state is correctly obtained with either OPBE or ...
Computational study of the spin-state energies and UV-Vis spectra of bis(1,4,7-triazacyclononane) complexes of some first-row transition metal cations
(Royal Soc Chemistry, Cambridge, 2013)
We report here computed spin-state energies and UV-Vis spectra for several transition metal complexes with a triazacyclononane ligand. Our results show that the spin ground-state is correctly obtained with either OPBE or ...
General treatment of the multimode Jahn-Teller effect: study of fullerene cations
(Royal Soc Chemistry, Cambridge, 2013)
A general model for the analysis of the Adiabatic Potential Energy Surfaces (APES) of the molecules that are subject to the multimode Jahn-Teller effect is presented. The method utilizes the information obtained by DFT ...
Expression and distribution of cellulase, amylase and peptidase isoforms along the midgut of Morimus funereus L. (Coleoptera: Cerambycidae) larvae is dependent on nutrient substrate composition
(Elsevier Science Inc, New York, 2013)
The influence of diet composition - two substrates, wheat bran and sawdust - on isoform expression of digestive enzymes (cellulase, amylase and peptidase) in the midgut of Morimus funereus larvae was examined. Their impact ...
2-Alkylidene-4-oxothiazolidine S-oxides: synthesis and stereochemistry
(Oxford : Pergamon-Elsevier Science Ltd, 2013)
A series of 5-unsubstituted and 5-substituted 2-alkylidene-4-oxothiazolidine-S-oxides were synthesized by the sulfur-oxidation with m-CPBA. The stereochemistry of 5-substituted sulfoxides was determined by means of NMR ...
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. ...
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 ...
Conformational mobility of active and E-64-inhibited actinidin
(Elsevier, 2013)
Background: Actinidin, a protease from kiwifruit, belongs to the C1 family of cysteine proteases. Cysteine proteases were found to be involved in many disease states and are valid therapeutic targets. Actinidin has a wide ...