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Role of Spin State and Ligand Charge in Coordination Patterns in Complexes of 2,6-Diacetylpyridinebis(semioxamazide) with 3d-Block Metal Ions: A Density Functional Theory Study
(American Chemical Society (ACS), 2013)
We report here a systematic computational study on the effect of the spin state and ligand charge on coordination preferences for a number of 3d-block metal complexes with the 2,6-diacetylpyridinebis(semioxamazide) ligand ...
Molecular and immunological characterization of Mus a 5 allergen from banana fruit
(Wiley-Blackwell, Malden, 2012)
Scope Banana fruit has become an important cause of fruit allergy in the recent years. Among the five registered IUIS allergens, Mus a 1 and Mus a 2 have been characterized in detail. In this study, molecular characterization ...
Application of new insoluble dietary fibres from triticale as supplement in yoghurt - effects on physico-chemical, rheological and quality properties
(Wiley, Hoboken, 2018)
BACKGROUND: The need to increase the daily intake of dietary fibres opens a new chapter in the research of functional foods enriched with fibres. The potential application of an innovative product - insoluble dietary fibres ...
Non destructive monitoring of cavitation erosion of cordierite based coatings
(Elsevier, 2016)
Coating materials are widely used in refractory lining to prevent different deleterious effects such are reactions on the mold-metal contact surface, abrasion from liquid metal or alloy, gasses, slags, and other materials ...
Substrate Stereocontrol in the Intramolecular Organocatalyzed Tsuji-Trost Reaction: Enantioselective Synthesis of Allokainates
(American Chemical Society (ACS), 2014)
Organocatalyzed Tsuji-Trost cyclization of 3b proceeds with asymmetric induction and allows for stereoselective synthesis of (+)-allokainic acid. The stereochemical outcome of the cyclization was predicted by calculations.
A Practical Computational Approach to Study Molecular Instability Using the Pseudo-Jahn-Teller Effect
(American Chemical Society (ACS), 2014)
Vibronic coupling theory shows that the cause for spontaneous instability in systems presenting a nondegenerate ground state is the so-called pseudo-Jahn-Teller effect, and thus its study can be extremely helpful to ...
Theoretical study of the magnetic anisotropy and magnetic tunnelling in mononuclear Ni(II) complexes with potential molecular magnet behavior
(Royal Soc Chemistry, Cambridge, 2014)
Magnetic molecules that present a slow decay of their magnetization (molecular magnets) are very interesting both from a fundamental and applied points of view. While many approaches focus strongly on finding systems with ...
Mononuclear silver(I) complexes with 1,7-phenanthroline as potent inhibitors of Candida growth
(Elsevier France-Editions Scientifiques Medicales Elsevier, Issy-Les-Moulineaux, 2018)
Mononuclear silver(I) complexes with 1,7-phenanthroline (1,7-phen), [Ag(NO3-O,O') (1,7-phen-N7)(2)] (1) and [Ag(1,7-phen-N7)(2)]X, X = ClO4- (2), CF3SO3- (3), BF4- (4) and SbF6- (5) were synthesized and structurally ...
Covalent binding of food-derived blue pigment phycocyanobilin to bovine beta-lactoglobulin under physiological conditions
(Elsevier Sci Ltd, Oxford, 2018)
In this study, we investigated structural aspects of covalent binding of food derived blue pigment phycocyanobilin (PCB) to bovine beta-lactoglobulin (BLG), major whey protein, by spectroscopic, electrophoretic, mass ...
Characterization and effects of binding of food-derived bioactive phycocyanobilin to bovine serum albumin
(Elsevier Sci Ltd, Oxford, 2018)
Phycocyanobilin (PCB) is a blue tetrapyrrole chromophore of C-phycocyanin, the main protein of the microalga Spirulina, with numerous proven health-related benefits. We examined binding of PCB to bovine serum albumin (BSA) ...