A theoretical analysis on the intramolecular proton transfer of alpha-alanine in an aqueous medium

Intramolecular proton transfer from oxygen to nitrogen atoms in the alpha-alanine amino acid has been studied by ab initio methods at the HF/6-31G*, HF/6-31 ++ G** and MP2/6-31 ++ G** levels of calculation including the solvent effects by means of self-consistent reaction field theory. An analysis of the results based on the natural bond orbital charges shows that the transition structure presents an imbalance in the sense that the charge shift lags behind the proton transfer and that the bond formation is always in advance with respect to the bond cleavage. All calculation levels show that the barrier height associated with the conformational change on alpha-alanine is larger than the proton transfer process. (C) 1998 Elsevier B.V. B.V. All rights reserved.

Electrochemical evidence of sulfinic acid derivative as an intermediate in the reduction of aromatic sulfonyl chloride in an aprotic medium

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Aggregation behavior of hydrophobically modified dextran in aqueous solution: a fluorescence probe study

Dextrans (M-W = 11.000 and M-w = 40.000) have been modified with 4-hexyl benzoyl chloride and their aggregation behavior was studied in aqueous solution employing the fluorescent probes pyrene and 1,8 anilinonaphtalene sulfonic acid sodium salt (1,8 ANS). The photophysical studies showed that above a critical concentration the derivatives tend to form aggregates having different properties, which depend on both the degree of substitution (alpha) and the molecular weight of the sample. The parameter alpha has a marked effect on the critical aggregation concentrations (CAC) and aggregate proper-ties. Hydrophobic microenvironments can be detected for substituted dextrans having alpha values varying from 0.01 to 0.19. CAC values decreased by two orders and magnitude when the molecular weight increased from 11 to 40 kDa, leading to formation of more apolar aggregates and diminishing by about 30% the polarity of the microenviromnents. Pre-aggregation was evidenced by pyrene excimer emission and intermolecular interactions were responsible by the formation of aggregates leading to solution behaviour similar to that of common surfactants. (C) 2003 Elsevier B.V. Ltd. All rights reserved.

Measurement of the top quark mass in the lepton plus jets final state with the matrix element method

We present a measurement of the top quark mass with the matrix element method in the lepton+jets final state. As the energy scale for calorimeter jets represents the dominant source of systematic uncertainty, the matrix element likelihood is extended by an additional parameter, which is defined as a global multiplicative factor applied to the standard energy scale. The top quark mass is obtained from a fit that yields the combined statistical and systematic jet energy scale uncertainty. Using a data set of 0.4 fb(-1) taken with the D0 experiment at Run II of the Fermilab Tevatron Collider, the mass of the top quark is measured using topological information to be: m(top)(center dot+jets)(topo)=169.2(-7.4)(+5.0)(stat+JES)(-1.4)(+1.5)(syst) GeV, and when information about identified b jets is included: m(top)(center dot+jets)(b-tag)=170.3(-4.5)(+4.1)(stat+ JES)(-1.8)(+1.2)(syst) GeV. The measurements yield a jet energy scale consistent with the reference scale.

An exact equation for the free surface of a fluid in a porous medium

We study the problem of the evolution of the free surface of a fluid in a saturated porous medium, bounded from below by a. at impermeable bottom, and described by the Laplace equation with moving-boundary conditions. By making use of a convenient conformal transformation, we show that the solution to this problem is equivalent to the solution of the Laplace equation on a fixed domain, with new variable coefficients, the boundary conditions. We use a kernel of the Laplace equation which allows us to write the Dirichlet-to-Neumann operator, and in this way we are able to find an exact differential-integral equation for the evolution of the free surface in one space dimension. Although not amenable to direct analytical solutions, this equation turns out to allow an easy numerical implementation. We give an explicit illustrative case at the end of the article.

Measurement of the top quark mass in the lepton plus jets channel using the ideogram method

A measurement of the top quark mass using events with one charged lepton, missing transverse energy, and jets in the final state, collected by the D0 detector from p (p) over bar collisions at root s=1.96 TeV at the Fermilab Tevatron collider, is presented. A constrained fit is used to fully reconstruct the kinematics of the events. For every event a top quark mass likelihood is calculated taking into account all possible jet assignments and the probability that an event is signal or background. Lifetime-based identification of b jets is employed to enhance the separation between t (t) over bar signal and background from other physics processes and to improve the assignment of the observed jets to the quarks in the t (1) over bar hypothesis. We extract a multiplicative jet energy scale (JES) factor in situ, greatly reducing the systematic effect related to the jet energy measurement. In a data sample with an integrated luminosity of 425 pb(-1), we observe 230 candidate events, with an estimated background of 123 events, and measure m(t)=173.7 +/- 4.4(stat+JES)(-2.0)(+2.1)(syst) GeV. This result represents the first application of the ideogram technique to the measurement of the top quark mass in lepton+jets events.

Measurement of the top quark mass in the dilepton channel

We present a measurement of the top quark mass in the dilepton channel based on approximately 370 pb(-1) of data collected by the DO experiment during Run R of the Fermilab Tevatron collider. We employ two different methods to extract the top quark mass. We show that both methods yield consistent results using ensemble tests of events generated with the DO Monte Carlo simulation. We combine the results from the two methods to obtain a top quark mass m(t) = 178.1 +/- 8.2 GeV. The statistical uncertainty is 6.7 GeV and the systematic uncertainty is 4.8 GeV. (c) 2007 Elsevier B.V. All rights reserved.

Measurement of the top-quark mass in t(t)over-bar events with dilepton final states in pp collisions at root s=7 TeV

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Combined Tevatron upper limit on gg -> H -> W+W- and constraints on the Higgs boson mass in fourth-generation fermion models

We combine results from searches by the CDF and D0 collaborations for a standard model Higgs boson (H) in the process gg -> H -> W+W- in p (p) over bar collisions at the Fermilab Tevatron Collider at root s = 1.96 TeV. With 4.8 fb(-1) of integrated luminosity analyzed at CDF and 5.4 fb(-1) at D0, the 95% confidence level upper limit on sigma(gg -> H) x B(H -> W+W-) is 1.75 pb at m(H) = 120 GeV, 0.38 pb at m(H) = 165 GeV, and 0.83 pb at m(H) = 200 GeV. Assuming the presence of a fourth sequential generation of fermions with large masses, we exclude at the 95% confidence level a standard-model-like Higgs boson with a mass between 131 and 204 GeV.

Measurement of the top quark mass in final states with two leptons

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Precise Measurement of the Top Quark Mass in the Dilepton Channel at D0

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Measurement of the top-quark mass in p(p)over-bar collisions using events with two leptons

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Measurement of the t(t)over-bar production cross section and the top quark mass in the dilepton channel in pp collisions at root s=7 Tev

The t (t) over bar production cross section and top quark mass are measured in proton-proton collisions at root s = 7 TeV in a data sample corresponding to an integrated luminosity of 36 pb(-1) collected by the CMS experiment. The measurements are performed in events with two leptons (electrons or muons) in the final state. Results of the cross section measurement in events with and without b-quark identification are obtained and combined. The measured value is sigma(tt) - 168 +/- 18 (stat:) +/- 14 (syst:) +/- 7 (lumi:) pb, consistent with predictions from the standard model. The top quark mass m(top) is reconstructed with two different methods, a full kinematic analysis and a matrix weighting technique. The combination yields a measurement of m(top) = 175.5 +/- 4.6 (stat:) +/- 4: 6 (syst:) GeV/c(2).