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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 ...
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 ...
Porosity of different dental luting cements
(Elsevier, 2007)
Objective. The aim of this in vitro study was to compare open porosity and pore size distribution
of different types of luting cements (zinc phosphate and polycarboxylate produced by
Harvard Cement, Great Britain, ...
Electrostatic Study of the Proton Pumping Mechanism in Bovine Heart Cytochrome c Oxidase
(American Chemical Society (ACS), 2004)
Cytochrome c oxidase (CcO) is the terminal enzyme of the cell respiratory chain in mitochondria and aerobic bacteria. It catalyzes the reduction of oxygen to water and utilizes the free energy of the reduction reaction for ...
Single Cell Electrochemiluminescence Imaging: From the Proof-of-Concept to Disposable Device-Based Analysis
(American Chemical Society (ACS), 2017)
We report here the development of coreactant-based electrogenerated chemiluminescence (ECL) as a surface-confined microscopy to image single cells and their membrane proteins. Labeling the entire cell membrane allows one ...
Quantifying oxygen vacancies in neodymium and samarium doped ceria from heat capacity measurements
(Elsevier, 2020)
It has been previously reported in the literature that the vacancy concentration in a solid can be estimated using the linear term derived from low temperature heat capacity measurements. This paper investigates how such ...
Crystallographic structure and molecular dynamics simulations of the major endoglucanase from Xanthomonas campestris pv. campestris shed light on its oligosaccharide products release pattern
(Elsevier B.V., 2019)
Cellulases are essential enzymatic components for the transformation of plant biomass into fuels, renewable ma-
terials and green chemicals. Here, we determined the crystal structure, pattern of hydrolysis products ...
Nanoporous Network Channels from Self-Assembled Triblock Copolymer Supramolecules
(Wiley-V C H Verlag Gmbh, Weinheim, 2011)
Supramolecular complexes of a poly(tert-butoxystyrene)-block-polystyrene-block-poly(4-vinylpyridine) triblock copolymers and less than stoichiometric amounts of pentadecylphenol (PDP) are shown to self-assemble into a ...
Synthesis and characterization of spherically-shaped CaO/gamma-Al2O3 catalyst and its application in biodiesel production
(Oxford : Pergamon-Elsevier Science Ltd, 2017)
Loading CaO onto spherically-shaped gamma-Al2O3 support was applied for the preparation of a cost-effective and environmentally-friendly heterogeneous catalyst for biodiesel production. Physico-chemical, textural and ...