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.

Corrosion resistance enhancement of SAE 1020 steel after Chromium implantation by nitrogen ion recoil

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

Grand unification and proton stability near the Peccei-Quinn scale

We show that in an SU(2)circle timesU(1) model with a Dine-Fischler-Srednicki-like invisible axion it is possible to obtain (i) the convergence of the three gauge coupling constants at an energy scale near the Peccei-Quinn scale; (ii) the correct value for sin(2)theta<^>(W)(M-Z); (iii) the stabilization of the proton by the cyclic Z(13)circle timesZ(3) symmetries which also stabilize the axion as a solution to the strong CP problem. Concerning the convergence of the three coupling constants and the prediction of the weak mixing angle at the Z peak, this model is as good as the minimal supersymmetric standard model with mu(SUSY)=M-Z. We also consider the standard model with six and seven Higgs doublets. The main calculations were done in the 1-loop approximation but we briefly consider the 2-loop contributions.

Classification of states in S0(8) proton-neutron pairing model

lsoscalar (T = 0) plus isovector (T = 1) pairing Hamiltonian in LS-coupling. which is important for heavy N = Z nuclei, is solvable in terms of a SO(8) Lie algebra for three special values of the mixing parameter that measures the competition between the T = 0 aid T = 1 pairing. The SO(8) algebra is generated, amongst others, by the S = 1, T = 0 and S = 0, T = 1 pair creation and annihilation operators and corresponding to the three values of the mixing parameter, there are three chains of subalgebras: SO(8) superset of SOST (6) superset of SOS(3) circle times SOT(3), SO(8) superset of [SOS(5) superset of SOS(3)] circle times SOT(3) and SO(8) superset of [SOT(5) superset of SOT(3)] circle times SOS(3). Shell model Lie algebras, with only particle number conserving generators, that are complementary to these three chains of subalgebras are identified and they are used in the classification of states for a given number of nucleons. The classification problem is solved explicitly tor states with SO(8) seniority nu = 0, 1, 2, 3 and 4. Using them, hand structures in isospin space are identified for states with nu = 0, 1, 2 and 3. (c) 2005 Elsevier B.V. All rights reserved.

The Fulling-Davies-Unruh effect is mandatory: the proton's testimony

We discuss the decay of accelerated protons and illustrate how the Fulling-Davies-Unruh effect is indeed mandatory to maintain the consistency of standard Quantum Field Theory. The confidence level of the Fulling-Davies-Unruh effect must be the same as that of Quantum Field Theory itself.

Charm Production in Antiproton-Proton Annihilation

We study the production of charmed mesons (D) and baryons (Lambda(c)) in antiproton- proton ((p) over barp) annihilation close to their respective production thresholds. The elementary charm production process is described by either baryon/ meson exchange or by quark/ gluon dynamics. Effects of the interactions in the initial and final states are taken into account rigorously. The calculations are performed in close analogy to our earlier study on (p) over bar -> (Lambda) over bar Lambda and (p) over barp (K) over bar K by connecting the processes via SU(4) flavor symmetry. Our predictions for the (Lambda) over bar (c)Lambda(c) production cross section are in the order of 1 to 7 mb, i. e. a factor of around 10-70 smaller than the corresponding cross sections for (Lambda) over bar Lambda However, they are 100 to 1000 times larger than predictions of other model calculations in the literature. on the other hand, the resulting cross sections for (D) over barD production are found to be in the order of 10(-2) - 10(-1)mu b and they turned out to be comparable to those obtained in other studies.

Measurement of the charge asymmetry in top-quark pair production in proton-proton collisions at root s=7 TeV

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Search for heavy lepton partners of neutrinos in proton-proton collisions in the context of the type III seesaw mechanism

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Measurement of the differential dijet production cross section in proton-proton collisions at root s=7 TeV

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

First measurement of the cross section for top-quark pair production in proton-proton collisions at root s=7 TeV

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

A novel method for modeling the recoil in W boson events at hadron colliders

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Inclusive and differential measurements of the t(t)over-bar charge asymmetry in proton-proton collisions root s=7 TeV

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

First Measurement of Bose-Einstein Correlations in Proton-Proton Collisions at root s=0.9 and 2.36 TeV at the LHC

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Measurement of the top quark pair production cross section in the lepton plus jets channel in proton-antiproton collisions at root s=1.96 TeV

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Measurement of the weak mixing angle with the Drell-Yan process in proton-proton collisions at the LHC

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)