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Assessment of TD-DFT and LF-DFT for study of d - d transitions in first row transition metal hexaaqua complexes
(Amer Inst Physics, Melville, 2015)
Herein, we present the systematic, comparative computational study of the d - d transitions in a series of first row transition metal hexaaqua complexes, [M(H2O)(6)](n+) (M2+/3+ = V2+/3+, Cr2+/3+, Mn2+/3+, Fe2+/3+, Co2+/3+, ...
Characterization of sodium alginate/D-limonene emulsions and respective calcium alginate/D-limonene beads produced by electrostatic extrusion
(Elsevier Sci Ltd, Oxford, 2015)
In this study, calcium alginate beads immobilizing D-limonene (solid systems) have been manufactured starting from emulsions of this flavor in sodium alginate (liquid systems). The effects of alginate concentration (0.02 ...
Experimental and theoretical investigation of octahedral and square-planar isothiocyanato complexes of Ni(II) with acylhydrazones of 2-(diphenylphosphino)benzaldehyde
(Oxford : Pergamon-Elsevier Science Ltd, 2015)
Octahedral and square-planar isothiocyanato complexes of Ni(II) with the condensation derivative of 2-(diphenylphosphino)benzaldehyde and Girard's T reagent were synthesized and characterized by elemental analysis, IR ...
Enhancement of amylase production by Aspergillus sp using carbohydrates mixtures from triticale
(Serbian Chemical Soc, Belgrade, 2015)
With the purpose of finding a suitable available inducer in combination with starvation, carbohydrate mixtures from triticale were used and compared with well-known amylase inducers in fungi. Carbohydrate mixtures from ...
Geochemical mapping of riverbank profiles in the basin area of the river Ibar: Role in establishing the geochemical basis for the assessment of anthropogenic influence on the environment / Geohemijsko kartiranje obalskih profila u slivnom području reke Ibar - uloga u uspostavljanju geohemijske osnove za procenu antropogenog uticaja na životnu sredinu
(Institut za rudarstvo i metalurgiju Bor, 2015)
Geochemical mapping of riverbank profiles of the basin area of the river Ibar was performed in the purpose of making regional geochemical map of Serbia 1:1000000. In this area, deposits of lead and zinc are located, and ...
Highly efficient production of Aspergillus niger amylase cocktail by solid-state fermentation using triticale grains as a well-balanced substrate
(Serbian Chemical Soc, Belgrade, 2015)
Triticale (x Triticosecale, Wittmack), an important industrial crop, with high grain yield, containing high amounts of starch, proteins and also major and minor mineral elements, is not yet sufficiently utilized. The ...
The effect of steric repulsion on the torsional potential of n-butane: a theoretical study
(Oxford : Pergamon-Elsevier Science Ltd, 2015)
The origin of the rotational barriers in n-butane and gauche conformational energy, the prototypes of steric repulsion, has been re-examined by using energy decomposition analysis. The Pauli repulsion was found to be an ...
A theoretical study on borenium ion affinities toward ammonia, formaldehyde and chloride anions
(Royal Soc Chemistry, Cambridge, 2015)
Various borenium ion affinities toward three ligands (L' = NH3, HCHO and Cl-) have been evaluated by DFT calculations in the gas-phase and in solvent (CH2Cl2). The gas-phase results have been rationalized on the basis of ...
Phycocyanobilin, a bioactive tetrapyrrolic compound of blue-green alga Spirulina, binds with high affinity and competes with bilirubin for binding on human serum albumin
(Royal Soc Chemistry, Cambridge, 2015)
Human serum albumin (HSA) is an important regulator of the pharmacokinetic properties of bioactive compounds. Phycocyanobilin is a blue tetrapyrrole chromophore of C-phycocyanin with proven health-promoting activities. ...
Zn(II) complex with 2-quinolinecarboxaldehyde selenosemicarbazone: synthesis, structure, interaction studies with DNA/HSA, molecular docking and caspase-8 and-9 independent apoptose induction
(Royal Soc Chemistry, Cambridge, 2015)
A new Zn(II)-based potential chemotherapeutic agent was synthesized from the ligand 2-quinolinecarboxaldehyde selenosemicarbazone (Hqasesc). Single crystal X-ray diffraction analysis showed that the Zn(II) complex consists ...