Search results for "Dissociation"

Effect of EDTA and citrate on the functional activity of the first component of complement, C1, and the C1q subcomponent.

1985

The first component of complement, C1, is a calcium-dependent complex of the three distinct subcomponents, C1q, C1r, and C1s. Earlier observations revealed that treatment of C1 with EDTA led to a loss of hemolytic C1 activity even after recalcification. Therefore, it was of interest to study whether EDTA has an additional effect on C1 and its subcomponents, beside its chelating capacity. The chelating effect of EDTA was compared to that of citrate. It was found that treatment of C1 or C1 with EDTA followed by addition of Ca++ led to a loss of hemolytic activity up to 90%, depending on EDTA concentration. Even pretreatment of EDTA with varying amounts of Ca++ did not prevent the inactivation…

Resonating valence bond quantum Monte Carlo: Application to the ozone molecule

2015

We study the potential energy surface of the ozone molecule by means of Quantum Monte Carlo simulations based on the resonating valence bond concept. The trial wave function consists of an antisymmetrized geminal power arranged in a single-determinant that is multiplied by a Jastrow correlation factor. Whereas the determinantal part incorporates static correlation effects, the augmented real-space correlation factor accounts for the dynamics electron correlation. The accuracy of this approach is demonstrated by computing the potential energy surface for the ozone molecule in three vibrational states: symmetric, asymmetric and scissoring. We find that the employed wave function provides a de…

Electric field enhanced water dissociation at the bipolar membrane junction from ac impedance spectra measurements

1998

Abstract Preliminary experimental results of the ac impedance spectra of a bipolar ion-exchange membrane are reported and interpreted on the basis of a previous theoretical model based on the Nernst–Planck/Poisson equations. It is shown that the experiments can provide valuable electrochemical information about the bipolar junction structure and the electric-field enhanced water dissociation phenomenon that occurs at this junction, although the high number of unknown parameters involved makes it difficult to obtain accurate values for the parameters characteristic of this phenomenon.

Dinuclear chloroneodymium quinolinylcarboxylates: The molecular structures affected by water and the catalytic behavior toward isoprene polymerization

2016

Abstract A series of dinuclear chloroneodymium quinolinylcarboxylate compounds was synthesized and characterized. The nature and importance of metal-organic aggregations have been considered as an important factor regarding the molecular structure and catalytic performance. The neodymium center in all the title compounds exhibits the coordination numbers of 8. Cage aggregation was observed in the solid state, and the cyclic arrangement was achieved when water molecules were incorporated into the structure. Upon the activation with Al(i-Bu)3, all the title neodymium compounds form the efficient catalysts for isoprene polymerization. The catalytic activities are not strongly affected by the m…

ZrO2 Acting as a Redox Catalyst

2016

Surface defects are discussed and reviewed with regards to the use of ZrO2 in applications involving interactions with CO, H2, CH4, CO2, water and hydrocarbons. Studies of catalytic partial oxidation of methane reveal that part of the surface lattice oxygen in terraces can be removed by methane at high temperatures (e.g. 900 °C). The reaction proceeds via a surface confined redox mechanism. The studies presented here also highlight that defects play a decisive role in the water–gas-shift reaction, since the reaction is likely carried out via OH groups present at defect sites, which are regenerated by dissociating water. Hydroxyl chemistry on ZrO2 is briefly reviewed related to the studies p…

Complexes of organometallic compounds XXVIII. The solution chemistry of bis(acetylacetone)ethylenediimine adducts of organotin(IV) halides

1971

Abstract The nature of methanol solutions of a series of bis(acetylacetone)ethylenediimine adducts of organotin(IV) halides has been studied by electronic and PMR spectroscopy and by osmometry and conductivity. Effectively complete dissociation to the free ligand and solvated organotin(IV) halide moieties is inferred.

Study of Mechanisms of Light-Induced Dissociation of Ru(dcbpy)(CO)2I2 in Solution down to 20 fs Time Resolution

2006

Mechanisms of the light-induced ligand exchange reaction of (trans-I) Ru(dcbpy)(CO)2I2 (dcbpy = 4,4'-dicarboxylic acid-2,2'-bipyridine) in ethanol have been studied by transient absorption spectroscopy. Ultraviolet 20 fs excitation pulses centered at 325 nm were used to populate a vibrationally hot excited pi bipyridyl state of the reactant that quickly relaxes to a dissociative Ru-I state resulting in the release of one of the carbonyl groups. Quantum yield measurements have indicated that about 40% of the initially exited reactant molecules form the final photoproduct. A 62 fs rise component in the transient absorption (TA) signal was observed at all probe wavelengths in the visible regio…

Cell Dissociation and Reaggregation

1973

A MRCI PS and CASSCF study of the ground state MgO dissociation energy

1991

Abstract Ab initio calculations at CASSCF and MRCI PS levels are used to determine the dissociation energy for the X 1 Σ + state of MgO, which adiabatically dissociates to the ground state 1 S g of magnesium and to the excited 1 D g state of oxygen, as well as other spectroscopic parameters. Emphasis is placed upon the problem of properly selecting an adequate active space in CASSCF calculations and upon the improvements obtained in MRCI by selecting perturbatively the most important contributions to the total wavefunction and evaluating the remaining ones only by perturbational method. Through a procedure based on stabilizing the computed dissociation energy, values of 3.87 eV (MRCI PS) an…

Structure of doped polyaniline - dielectric spectroscopy measurements

1993

The role of doping reagents (residual water and acid anions) in determining the electric properties of a chemically synthesized polyaniline (PANI) was studied using a dielectric spectroscopy method. Dependencies of dielectric losses and susceptibility of PANI as the functions of temperature (-100÷+100°C) and electric field frequency (0.3÷30000 Hz) were examined at it was shown the role of water acts as a doping impurity similar to acid anions. The model is proposed to explain the role of water in terms of adsorption of H 2 O molecules at nitrogen sites of PANI chain and their dissociation