Experimental and Computational Study of the Thermal Decomposition of 3‐Methyl‐3‐buten‐1‐ol in m‐Xylene Solution

An experimental study of the thermal decomposition of a β‐hydroxy alkene, 3‐methyl‐3‐buten‐1‐ol, in m‐xylene solution, has been carried out at five different temperatures in the range of 513.15–563.15 K. The temperature dependence of the rate constants for the decomposition of this compound in the corresponding Arrhenius equation is given by ln k (s^?1) = (25.65 ± 1.52) ? (17,944 ± 814) (kJ·mol^?1)·T^?1. A computational study has been carried out at the M05–2X/6–31+G(d,p) level of theory to calculate the rate constants and the activation parameters by the classical transition state theory. There is a good agreement between the experimental and calculated rate constants and activation Gibbs energies. The bonding characteristics of reactant, transition state, and products have been investigated by the natural bond orbital analysis, which provides the natural atomic charges and the Wiberg bond indices. Based on the results obtained, the mechanism proposed is a one‐step process proceeding through a six‐membered cyclic transition state, being a concerted and slightly asynchronous process. The results have been compared with those obtained previously by us (Struct Chem 2013, 24, 1811–1816) for the thermal decomposition of 3‐buten‐1‐ol, in m‐xylene solution. We can conclude that in the compound studied in this work, 3‐methyl‐3‐buten‐1‐ol, the effect of substitution at position 3 by a weakly activating CH₃ group is the stabilization of the transition state formed in the reaction and therefore a small increase in the rate of thermal decomposition.     

Structural and Kinetic Aspects of Blood Plasma Protein Adsorption on the Surface of Hydrophobic Polymers

Abstract

Due to the wide use of polymers in medicine, researchers are required to solve a very important problem–to understand the interaction between materials of nonphysiological origin and the surrounding biological liquids, and tissues, particularly blood.     

Probing anomalous <Emphasis Type="Italic">Wtb</Emphasis> couplings in top pair decays

We investigate several quantities, defined in the decays of top quark pairs, which can be used to explore non-standard Wtb interactions. Two new angular asymmetries are introduced in the leptonic decay of top (anti)quarks. Both are very sensitive to anomalous Wtb couplings, and their measurement allows for a precise determination of the W helicity fractions. We also examine other angular and energy asymmetries, the W helicity fractions and their ratios, as well as spin correlation asymmetries, analysing their dependence on anomalous Wtb couplings and identifing the quantities which are most sensitive to them. It is explicitly shown that spin correlation asymmetries are less sensitive to new interactions in the decay of the top quark; therefore, when combined with the measurement of other observables, they can be used to determine the tt̄ spin correlation even in the presence of anomalous Wtb couplings. We finally discuss some asymmetries which can be used to test CP violation in tt̄ production and complex phases in the effective Wtb vertex.     

Search for a standard model Higgs boson in the H→ZZ→ℓ(+)ℓ(-)νν decay channel with the ATLAS detector

A search for a heavy standard model Higgs boson decaying via H→ZZ→→?(+)?(-)νν, where ?=e, μ, is presented. It is based on proton-proton collision data at √s=7 TeV, collected by the ATLAS experiment at the LHC in the first half of 2011 and corresponding to an integrated luminosity of 1.04 fb(-1). The data are compared to the expected standard model backgrounds. The data and the background expectations are found to be in agreement and upper limits are placed on the Higgs boson production cross section over the entire mass window considered; in particular, the production of a standard model Higgs boson is excluded in the region 340相似文献   

Observation of a centrality-dependent dijet asymmetry in lead-lead collisions at sqrt[S(NN)] =2.76 TeV with the ATLAS detector at the LHC

By using the ATLAS detector, observations have been made of a centrality-dependent dijet asymmetry in the collisions of lead ions at the Large Hadron Collider. In a sample of lead-lead events with a per-nucleon center of mass energy of 2.76 TeV, selected with a minimum bias trigger, jets are reconstructed in fine-grained, longitudinally segmented electromagnetic and hadronic calorimeters. The transverse energies of dijets in opposite hemispheres are observed to become systematically more unbalanced with increasing event centrality leading to a large number of events which contain highly asymmetric dijets. This is the first observation of an enhancement of events with such large dijet asymmetries, not observed in proton-proton collisions, which may point to an interpretation in terms of strong jet energy loss in a hot, dense medium.     

Model-independent measurement of the top quark polarisation

We introduce a new asymmetry in the decay t→Wb→?νb$t\to Wb\to ?\nu b$, which is shown to be directly proportional to the polarisation of the top quark along a chosen axis, times a sum of W helicity fractions. The latter have already been precisely measured at the Tevatron and the Large Hadron Collider. Therefore, this new asymmetry can be used to obtain a model-independent measurement of the polarisation of top quarks produced in any process at hadron or lepton colliders.