Quantum confinement in hydrogen bond

In this work, the quantum confinement effect is proposed as the cause of the displacement of the vibrational spectrum of molecular groups that involve hydrogen bonds. In this approach, the hydrogen bond imposes a space barrier to hydrogen and constrains its oscillatory motion. We studied the vibrational transitions through the Morse potential, for the NH and OH molecular groups inside macromolecules in situation of confinement (when hydrogen bonding is formed) and nonconfinement (when there is no hydrogen bonding). The energies were obtained through the variational method with the trial wave functions obtained from supersymmetric quantum mechanics formalism. The results indicate that it is possible to distinguish the emission peaks related to the existence of the hydrogen bonds. These analytical results were satisfactorily compared with experimental results obtained from infrared spectroscopy. (c) 2015 Wiley Periodicals, Inc.

Quantum confinement in hydrogen bond of DNA and RNA

The hydrogen bond is a fundamental ingredient to stabilize the DNA and RNA macromolecules. The main contribution of this work is to describe quantitatively this interaction as a consequence of the quantum confinement of the hydrogen. The results for the free and confined system are compared with experimental data. The formalism to compute the energy gap of the vibration motion used to identify the spectrum lines is the Variational Method allied to Supersymmetric Quantum Mechanics.

Effect of the Rashba and Dresselhaus spin-splitting terms on the electron g factor in semiconductor quantum wells under applied magnetic fields

We use the Ogg-McCombe Hamiltonian together with the Dresselhaus and Rashba spin-splitting terms to find the g factor of conduction electrons in GaAs-(Ga,Al)As semiconductor quantum wells (QWS) (either symmetric or asymmetric) under a magnetic field applied along the growth direction. The combined effects of non-parabolicity, anisotropy and spin-splitting terms are taken into account. Theoretical results are given as functions of the QW width and compared with available experimental data and previous theoretical works. © 2007 Elsevier B.V. All rights reserved.

Maximizing the utility of bio-based diisocyanate and chain extenders in crystalline segmented thermoplastic polyester urethanes: effect of polymerization protocol

High molecular weight semi crystalline thermoplastic poly(ester urethanes), TPEUs, were prepared from a vegetable oil-based diisocyanate, aliphatic diol chain extenders and poly(ethylene adipate) macro diol using one-shot, pre-polymer and multi-stage polyaddition methods. The optimized polymerization reaction achieved ultra-high molecular weight TPEUs (>2 million as determined by GPC) in a short time, indicating a very high HPMDI diol reactivity. TPEUs with very well controlled hard segment (HS) and soft segment (SS) blocks were prepared and characterized with DSC, TGA, tensile analysis, and WAXD in order to reveal structure property relationships. A confinement effect that imparts elastomeric properties to otherwise thermoplastic TPEUs was revealed. The confinement extent was found to vary predictably with structure indicating that one can custom engineer tougher polyurethane elastomers by "tuning" soft segment crystallinity with suitable HS block structure. Generally, the HPMDI-based TPEUs exhibited thermal stability and mechanical properties comparable to entirely petroleum-based TPEUs. (C) 2014 Elsevier Ltd. All rights reserved.

SnO2 nanocrystals synthesized by microwave-assisted hydrothermal method: towards a relationship between structural and optical properties

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Characterization of nanosized ZnAl2O4 spinel synthesized by the sol-gel method

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

Chiral symmetry breaking with a confining propagator and dynamically massive gluons

Chiral symmetry breaking in QCD is studied introducing a confining effective propagator, as proposed recently by Cornwall, and considering the effect of dynamically massive gluons. The effective confining propagator has the form 1/(k2 +m2)2 and we study the bifurcation equation finding limits on the parameter m below which a satisfactory fermion mass solution is generated. Since the coupling constant and gluon propagator are damped in the infrared, due to the presence of a dynamical gluon mass, the major part of the chiral breaking is only due to the confining propagator and related to the low momentum region of the gap equation. We study the asymptotic behavior of the gap equation containing this confinement effect and massive gluon exchange, and find that the symmetry breaking can be approximated by an effective four-fermion interaction generated by the confining propagator. We compute some QCD chiral parameters as a function of m, finding values compatible with the experimental data. We find a simple approximate relation between the fermion condensate and dynamical mass for a given representation as a function of the parameters appearing in the effective confining propagator. © Copyright owned by the author(s) under the terms of the Creative Commons Attribution-NonCommercial-ShareAlike Licence.

Estudos de confinamento quântico em ligações de hidrogênio

Pós-graduação em Biofísica Molecular - IBILCE

Avaliação do comportamento de pilares de concreto de alta resistência: simulação numérica utilizando o código de cálculo CASTEM-2000

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Dinâmica de vórtices em filmes finos supercondutores de superfície variável

Pós-graduação em Ciência e Tecnologia de Materiais - FC

Preparação e caracterização de coacervatos e vidros a base de fosfato, dopados com európio

Pós-graduação em Química - IQ

Chiral transition of fundamental and adjoint quarks

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Luminescence of Eu3+ in the thin film heterojunction GaAs/SnO2

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Photoluminescence of the Eu-doped thin film heterojunction GaAs/SnO2 and rare-earth doping distribution

Tin dioxide (SnO2) thin films doped with Eu3+, are deposited by the sol-gel-dip-coating process on top of GaAs films, which is deposited by resistive evaporation on glass substrate. This heterojunction assembly presents luminescence from the rare-earth ion, unlike the SnO2 deposition directly on a glass substrate, where emissions from the Eu3+ transitions are absent. The Eu3+ transitions are clearly identified and are similar to the observation on SnO2 pressed powder (pellets), thermally treated at much higher temperatures. However, in the form of heterojunction films, the Eu emission comes along a broad band, located at higher energy compared to Eu3+ transitions, which is blue-shifted as the thermal annealing temperature increases. The size of nanocrystallites points toward quantum confinement or electron transfer between oxygen vacancies, originated from the disorder in the material, and trivalent rare-earth ions, which present acceptor-like character in this matrix. This electron transfer may relax for higher temperatures in the case of pellets, and the broad band is eliminated.

Comment on Effect of spin-orbit interaction on the plasma excitations in a quantum wire

We comment on the recent results [Phys. Rev. B 70, 235314 (2004)] showing the dispersion relations of single-particle and collective excitations in quantum wires in the presence of the Rashba spin-orbit interaction (SOI). We claim that those calculations performed in the absence of SOI, and used as a strong reference to the interacting case, are unlikely to be correct. We show the correct omega-q plane of the system in the absence of Rashba SOI.