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DFT and MM description of the structure and magnetic properties of manganese complexes with X-phenylcyanamido bridging ligand
(Springer Wien, Wien, 2011)
Magnetic properties of the complexes [Mn(3-Clpcyd)(H(2)O)-(phen)(2)](+), [{Mn(3-Fpcyd)(MeOH)(phen)}(2)(mu-3-Fpcyd)(2)], [{Mn(3-Fpcyd)(EtOH)(phen)}(2)(mu-3-Fpcyd)(2)], [{Mn(3-Clpcyd)(MeOH)(phen)}(2)(mu-3-Clpcyd)(2)], and ...
Computational analysis of tris(1,2-ethanediamine) cobalt(III) complex ion: calculation of the Co-59 shielding tensor using LF-DFT
(Springer Wien, Wien, 2011)
The ligand-field density functional theory (LF-DFT) approach is employed for calculations of the Co-59 nuclear magnetic resonance (NMR) shielding tensor of all four diastereoisomers (lambda lambda lambda, lambda lambda I ...
Density functional theory study of the magnetic coupling interaction in a series of binuclear oxalate complexes
(Springer Wien, Wien, 2012)
Magnetic couplings in oxalate-bridged binuclear complexes, namely five isomers of [(VO)(2)(ox)(SCN)(6)](4-), trans-(equatorial, equatorial), cis-(equatorial, equatorial), trans-(axial, axial), cis-(axial, axial), and (axial, ...
A convenient procedure for the preparation of Garner's aldehyde
(Pergamon-Elsevier Science Ltd, Oxford, 2012)
The palladium/silane reduction of a serine thioester derivative allows for the preparation of enantiomerically pure Garner's aldehyde from serine, in gram quantities within 24 h.
Kinetics and mechanism of the reactions of Ru(II)-arene complex with some biologically relevant ligands
(Pergamon-Elsevier Science Ltd, Oxford, 2011)
The reactions of ruthenium(II)-arene complex [Ru-II(eta(6)-p-cym)(pydc)Cl] (where p-cym = p-isopropyl toluene, pydc = 2,3-pyridinedicarboxylato) with biologically nitrogen-donor nucleophiles, such as guanosine-5'-monophosphate ...
Voltammetric Characterisation of Anticancer Drug Irinotecan
(Wiley-V C H Verlag Gmbh, Weinheim, 2018)
Electrochemical reduction of irinotecan was investigated on a static mercury drop electrode using square-wave voltammetry. The mechanism of irinotecan electroreduction is a complex, pH-dependent, quasireversible process ...
Magnetic couplings mediated through the non-covalent interactions
(Pergamon-Elsevier Science Ltd, Oxford, 2012)
Density functional theory (DFT), broken symmetry (BS) approach, was applied in order to determine the mechanism of couplings through the non-covalent interactions for the series of coordination compounds bridged by strong ...
Fast and reliable method for simultaneous zymographic detection of glucoamylase and a-amylase in fungal fermentation
(Academic Press Inc Elsevier Science, San Diego, 2012)
Detection of alpha-amylase and glucoamylase in crude fermentation extracts using a single native electrophoresis gel and zymogram is described in this article. Proteins were printed on substrate gel and simultaneously onto ...
Modulation of the specific immune response in Balb/cmice by intranasal application of recombinant H1D2 chimera
(Wiley, Hoboken, 2017)
BACKGROUND: Group 1 and group 2 allergens from house dust mite are the major elicitors of respiratory allergic diseases and the main candidates for immunotherapy. RESULTS: The potential therapeutic role of a chimera composed ...
Substituent and solvent effects on intramolecular charge transfer of 5-arylidene-2,4-thiazolidinediones
(Pergamon-Elsevier Science Ltd, Oxford, 2012)
The absorption spectra of twelve 5-arylidene-2,4-thiazolidinediones were recorded in twenty one solvents in the range from 300 to 600 nm. The effect of specific and non-specific solvent-solute interactions on the absorption ...