Search results for "Diss"

Temporal Trends in Transcatheter Aortic Valve Replacement in France

2017

Background - Transcatheter aortic valve replacement (TAVR) is standard therapy for patients with severe aortic stenosis who are at high surgical risk. However, national data regarding procedural characteristics and clinical outcomes over time are limited. Objectives - The aim of this study was to assess nationwide performance trends and clinical outcomes of TAVR during a 6-year period. Methods - TAVRs performed in 48 centers across France between January 2013 and December 2015 were prospectively included in the FRANCE TAVI (French Transcatheter Aortic Valve Implantation) registry. Findings were further compared with those reported from the FRANCE 2 (French Aortic National CoreValve and Edwa…

Masstodon : a tool for assigning peaks and modeling electron transfer reactions in top-down mass spectrometry

2019

Abstract: Top-down mass spectrometry methods are becoming continuously more popular in the effort to describe the proteome. They rely on the fragmentation of intact protein ions inside the mass spectrometer. Among the existing fragmentation methods, electron transfer dissociation is known for its precision and wide coverage of different cleavage sites. However, several side reactions can occur under electron transfer dissociation (ETD) conditions, including nondissociative electron transfer and proton transfer reaction. Evaluating their extent can provide more insight into reaction kinetics as well as instrument operation. Furthermore, preferential formation of certain reaction products can…

Energy dissipative solutions to the Kobayashi-Warren-Carter system

2017

In this paper we study a variational system of two parabolic PDEs, called the Kobayashi-Warren-Carter system, which models the grain boundary motion in a polycrystal. The focus of the study is the existence of solutions to this system which dissipate the associated energy functional. We obtain existence of this type of solutions via a suitable approximation of the energy functional with Laplacians and an extra regularization of the weighted total variation term of the energy. As a byproduct of this result, we also prove some $\Gamma$-convergence results concerning weighted total variations and the corresponding time-dependent cases. Finally, the regularity obtained for the solutions togethe…

Energy dissipative characteristic schemes for the diffusive Oldroyd-B viscoelastic fluid

2015

Low-temperature Zr mobility: An in-situ synchrotron-radiation XRF study of the effect of radiation damage in zircon on the element release in $H_{2}O…

2006

The release of Zr, U, and Pb from nearly metamict zircon and its recrystallized analog and of Zr from fully crystalline and slightly radiation-damaged zircon in H 2 O + HCl ± SiO 2 fluids was investigated in situ at temperatures between 200 and 500 °C using a hydrothermal diamond-anvil cell and time-resolved synchrotron-radiation XRF analyses. Dissolution of nearly metamict zircon proceeded much faster than that of zircon with little or no radiation damage and resulted in a 1.5 to 2 log units higher Zr molality in 6 to 7 m HCl fluids. Extensive recrystallization of the almost fully amorphous material started at 260 to 300 °C in H 2 O + HCl, and at about 360 °C if quartz was added, and was c…

Influence of the dissolution of MnS inclusions under free corrosion and potentiostatic conditions on the composition of passive films and the electro…

2006

Abstract The influence of the dissolution of MnS inclusions at the OCP value and 400 mV versus SCE on the chemical composition of passive films and the electrochemical behaviour of resulfurized austenitic stainless steel was studied in 1 M NaClO 4 , pH 3, solution using SIMS, XPS, electrochemical impedance spectroscopy and the electrochemical microcell technique. The electrochemical dissolution (at 400 mV versus SCE) of inclusions occurred uniformly along the interface and this process was almost complete after 25 min immersion. A small amount of sulfur was detected on the matrix that exhibited a wide passive range. By contrast, the dissolution process under free corrosion was not uniform a…

A quantum mechanics-molecular mechanics study of dissociative electron transfer : The methylchloride radical anion in aqueous solution

2002

The dissociative electron transfer reaction CH3Cl+e−→CH3•+Cl− in aqueous solution is studied by using a QM/MM method. In this work the quantum subsystem (a methylchloride molecule plus an electron) is described using density functional theory while the solvent (300 water molecules) is described using the TIP3P classical potential. By means of molecular dynamics simulations and the thermodynamic integration technique we obtained the potential of mean force (PMF) for the carbon–chlorine bond dissociation of the neutral and radical anion species. Combining these two free energy curves we found a quadratic dependence of the activation free energy on the reaction free energy in agreement with Ma…

Speciation of Organic Matter in Natural Waters-interaction of polyacrylates and polymethacrylates with major cation components of seawater

2004

Abstract The speciation of some high molecular weight polycarboxylates was studied in different ionic media. Polyacrylates here investigated ( W =2.0, 5.1 and 20.0 kDa) form weak species with alkali metal cations ( K =10 2 mol l −1 , t =25 °C, I =0 mol l −1 ) and quite stable complexes with alkaline earth metal cations ( K >10 6 mol l −1 , t =25 °C, I =0 mol l −1 ). Results are reported from experiments performed in a multicomponent electrolyte solution simulating the major composition of seawater (artificial seawater). Protonation constants in this medium are expressed as a polynomial function of S 1/2 ( S =salinity) and the sharp lowering with respect to values obtained in non-interacting…

Calculation of the pH and the titratable acidity in clinically used infusion solutions.

2006

Clinically used infusion solutions are complex aqueous mixtures composed of a variety of different salts, acids, and non-electrolytes, and are characterized by composition, initial pH, and titratable acidity (TA). By rigorous treatment as a multi-composed acid-base system, pH and TA were calculated from proton dissociation equilibria, mass balance equations and electroneutrality condition. Nine were arbitrarily chosen as model solutions in which pH and TA were experimentally determined. From composition, and based on a set of apparent acidity constants (pK values) at 37 degrees C and total ionic strength 0.155 mol/l, pH was calculated by iteration. In the model solutions, measured pH was in…

Complexes of Tungsten(VI) with Mucic Acid: a Spectrophotometric and Polarimetric Study in Aqueous Solution

1986

Abstract Spectrophotometric work on mucic acid-W(VI) system shows the formation of three different oxoanion complexes in aqueous solution; their stability is dependent upon pH. One of the complexes is monomeric tungstodimucate and the other two are 2/2 species. An anomalous cryoscopic behaviour, similar to that of W(VI) tartaric system, has been observed for the dimeric complex formed at higher pH. The stoichiometries and conditional dissociation constants have been polarimetrically determined by means of competitive reactions between the mucic and tartaric ligands. 1 H and 13 C NMR spectra have been interpreted for the similar complex species of both mucic and tartaric acids.