Search results for "SIDE"

Analytical description of solid particles kinematics due to a fluid flow and application to the depiction of characteristic kinematics in cold sprayi…

2017

Abstract In several multiphase flow applications such as fluidization, thermal spraying, atomization manufacturing and so on, the Newton's law is widely enacted to formulate the particle/fluid kinematic interaction and then to compute particles kinematics. This paper provides analytical solutions of the Newton's law in its time-dependent formulation or simplified formulation, the latter being a reduction of the time dependent problem into a spatial description of the particle motion. It was found that the velocity solution is strictly similar in both cases so that the simplified formulation is viable. The W_ 1 branch of the Lambert's function yields the analytical particle residence time an…

Quartz resonators for penning traps toward mass spectrometry on the heaviest ions

2020

We report on cyclotron frequency measurements on trapped 206,207Pb+ ions by means of the non-destructive Fourier-transform ion-cyclotron-resonance technique at room temperature. In a proof-of-principle experiment using a quartz crystal instead of a coil as a resonator, we have alternately carried out cyclotron frequency measurements for 206Pb+ and 207Pb+ with the sideband coupling method to obtain 21 cyclotron-frequency ratios with a statistical uncertainty of 6 × 10−7. The mean frequency ratio R¯ deviates by about 2σ from the value deduced from the masses reported in the latest Atomic Mass Evaluation. We anticipate that this shift is due to the ion–ion interaction between the simultaneousl…

Origin of Enzymatic Kinetic Isotope Effects in Human Purine Nucleoside Phosphorylase

2017

Here we report a study of the effect of heavy isotope labeling on the reaction catalyzed by human purine nucleoside phosphorylase (hPNP) to elucidate the origin of its catalytic effect and of the enzymatic kinetic isotope effect (EKIE). Using quantum mechanical and molecular mechanical (QM/MM) molecular dynamics (MD) simulations, we study the mechanism of the hPNP enzyme and the dynamic effects by means of the calculation of the recrossing transmission coefficient. A free energy surface (FES), as a function of both a chemical and an environmental coordinate, is obtained to show the role of the environment on the chemical reaction. Analysis of reactive and nonreactive trajectories allows us …

Palladium-catalyzed amination of aryl dibromides with secondary amines: synthetic and mechanistic aspects

1999

Abstract Diaminobenzenes are obtained starting from m- and p-dibromobenzenes and secondary amines in the presence of Pd(dba)2/P(o-tolyl)3and sodium tert-butoxide in moderate to good yields. Reductive dehalogenation of aryl dibromides is a major side reaction under these conditions. The study of this reaction has shown that the formation of reductive dehalogenation products occurs according to two independent ways. The first one proceeds via the well-known β-hydride elimination from amido-coordinated palladium complexes. The second one involves the formation of hydrido palladium complexes from amino-coordinated derivatives. Although our results do not allow us to propose a detailed mechanist…

4,5-Disubstituted N -Methylimidazoles as Versatile Building Blocks for Defined Side-Chain Introduction

2017

Cathodic Corrosion of Metal Electrodes—How to Prevent It in Electroorganic Synthesis

2021

The critical aspects of the corrosion of metal electrodes in cathodic reductions are covered. We discuss the involved mechanisms including alloying with alkali metals, cathodic etching in aqueous and aprotic media, and formation of metal hydrides and organometallics. Successful approaches that have been implemented to suppress cathodic corrosion are reviewed. We present several examples from electroorganic synthesis where the clever use of alloys instead of soft neat heavy metals and the application of protective cationic additives have allowed to successfully exploit these materials as cathodes. Because of the high overpotential for the hydrogen evolution reaction, such cathodes can contri…

Cadmium(ii) coordination polymers based on substituted malonic acid: synthesis, characterization and photoluminescence properties

2017

Four novel complexes of cadmium(II) with alkyl/aryl-substituted malonate ligands of formulae {[Cd(Memal)(H2O)]6·0.5H2O}n (1), [Cd(Etmal)(H2O)]n (2), [Cd(Butmal)(H2O)]n (3) and [Cd(Bzmal)(H2O)]n (4), (Memal = methylmalonate, Etmal = ethylmalonate, Butmal = butylmalonate and Bzmal = benzylmalonate) have been prepared and characterized by single crystal X-ray analysis. Their luminescence, UV-Vis absorption properties and thermal behaviour were also investigated. Complex 1 is a three-dimensional compound where each metal centre is connected to four other ones leading to a sodalite network with the point symbol {42·64}. Each cadmium(II) ion in 1 is seven-coordinate with a water molecule and six …

Helical supramolecular polymerization of C3-symmetric amides and retroamides: on the origin of cooperativity and handedness.

2016

The cooperative supramolecular polymerization of 1 and 2 yields P- or M-type helical aggregates depending on the absolute configuration (S or R) of the stereogenic centres attached to the side chains. The connectivity of the amide group does not affect the handedness of the helical aggregates, but determines a larger cooperativity for retroamides 1.

Geophysical prospection of the Roman city of Pollentia, Alcúdia (Mallorca, Balearic Islands, Spain)

2016

Abstract We present the results of the geophysical investigation carried out in the Roman city of Pollentia, in the island of Mallorca. The ancient city was identified in the 19th century. Old and new archaeological excavations have helped to uncover a residential area, a theatre, the forum, several necropolises and other remains of the city, but a large unexplored area has still to be investigated. For instance, the limits of the ancient town and the presence of harbour structures are still unknown. The geophysical survey has covered an area of more than 20.000 m2 by integrating magnetic, electromagnetic, electrical and ground penetrating radar (GPR) methods. Many unseen archaeological fea…

2021

Intracratonic basins tend to subside much longer than the timescale predicted by thermal relaxation of the lithosphere. Many hypotheses have been suggested to explain their longevity, yet few have been tested using quantitative thermo-mechanical numerical models, which capture the dynamic of the lithosphere. Lithospheric-scale geodynamic modelling preserving the tectono-stratigraphic architecture of these basins is challenging because they display only few kilometres of subsidence over 1000 of km during time periods exceeding 250 Myr. Here we present simulations that are designed to examine the relative role of thermal anomaly, tectonics and heterogeneity of the lithosphere on the dynamics …