Study of a series of cobalt(II) sulfonamide complexes: Synthesis, spectroscopic characterization, and microbiological evaluation against M. tuberculosis. Crystal structure of [Co(sulfamethoxazole)2(H 2O)2]·H2O

Nowadays, the research for new and better antimicrobial compounds is an important field due to the increase of immunocompromised patients, the use of invasive medical procedures and extensive surgeries, among others, that can affect the incidence of infections. Another big problem associated is the occurrence of drug-resistant microbial strains that impels a ceaseless search for new antimicrobial agents. In this context, a series of heterocyclic- sulfonamide complexes with Co(II) was synthesized and characterized with the aim of obtaining new antimicrobial compounds. The structural characterization was performed using different spectroscopic methods (UV-Vis, IR, and EPR). In spite of the fact that the general stoichiometry for all the complexes was Co(sulfonamide)2·nH2O, the coordination atoms were different depending on the coordinated sulfonamide. The crystal structure of [Co(sulfamethoxazole)2(H2O)2]·H 2O was obtained by X-ray diffraction showing that Co(II) is in a slightly tetragonal distorted octahedron where sulfamethoxazole molecules act as a head-to-tail bridges between two cobalt atoms, forming polymeric chains. Besides, the activity against Mycobacterium tuberculosis, one of the responsible for tuberculosis, and the cytotoxicity on J774A.1 macrophage cells were evaluated. © 2012 Elsevier B.V. All rights reserved.

Modelling polymers with side chains: MEH-PPV and P3HT

Modelling polymers with side chains is always a challenge once the degrees of freedom are very high. In this study, we present a successful methodology to model poly[2-methoxy-5-(2′-ethyl-hexyloxy)-p-phenylenevinylene] (MEH-PPV) and poly[3-hexylthiophene] (P3HT) in solutions, taking into account the influence of side chains on the polymer conformation. Molecular dynamics and semi-empirical quantum mechanical methods were used for structure optimisation and evaluation of optical properties. The methodology allows to describe structural and optical characteristics of the polymers in a satisfactory way, as well as to evaluate some usual simplifications adopted for modelling these systems. Effective conjugation lengths of 8-14.6 and 21 monomers were obtained for MEH-PPV and P3HT, respectively, in accordance with experimental findings. In addition, anti/syn conformations of these polymers could be predicted based on intrinsic interactions of the lateral branches. © 2013 Copyright Taylor and Francis Group, LLC.

Dynamics and Conformational Studies of TOAC Spin Labeled Analogues of Ctx(Ile21)-Ha Peptide from Hypsiboas albopunctatus

Antimicrobial peptides (AMPs) isolated from several organisms have been receiving much attention due to some specific features that allow them to interact with, bind to, and disrupt cell membranes. The aim of this paper was to study the interactions between a membrane mimetic and the cationic AMP Ctx(Ile21)-Ha as well as analogues containing the paramagnetic amino acid 2,2,6,6-tetramethylpiperidine-1-oxyl-4-amino-4-carboxylic acid (TOAC) incorporated at residue positions n = 0, 2, and 13. Circular dichroism studies showed that the peptides, except for [TOAC13]Ctx(Ile21)-Ha, are unstructured in aqueous solution but acquire different amounts of α-helical secondary structure in the presence of trifluorethanol and lysophosphocholine micelles. Fluorescence experiments indicated that all peptides were able to interact with LPC micelles. In addition, Ctx(Ile21)-Ha and [TOAC13]Ctx(Ile21)-Ha peptides presented similar water accessibility for the Trp residue located near the N-terminal sequence. Electron spin resonance experiments showed two spectral components for [TOAC0]Ctx(Ile21)-Ha, which are most likely due to two membrane-bound peptide conformations. In contrast, TOAC2 and TOAC13 derivatives presented a single spectral component corresponding to a strong immobilization of the probe. Thus, our findings allowed the description of the peptide topology in the membrane mimetic, where the N-terminal region is in dynamic equilibrium between an ordered, membrane-bound conformation and a disordered, mobile conformation; position 2 is most likely situated in the lipid polar head group region, and residue 13 is fully inserted into the hydrophobic core of the membrane. © 2013 Vicente et al.

Massive spin-2 particle from a rank-2 tensor

Here we obtain all possible second-order theories for a rank-2 tensor which describe a massive spin-2 particle. We start with a general second-order Lagrangian with ten real parameters. The absence of lower-spin modes and the existence of two local field redefinitions leads us to only one free parameter. The solutions are split into three one-parameter classes according to the local symmetries of the massless limit. In the class which contains the usual massive Fierz-Pauli theory, the subset of spin-1 massless symmetries is maximal. In another class where the subset of spin-0 symmetries is maximal, the massless theory is invariant under Weyl transformations and the mass term does not need to fit into the form of the Fierz-Pauli mass term. In the remaining third class neither the spin-1 nor the spin-0 symmetry is maximal and we have a new family of spin-2 massive theories. © 2013 American Physical Society.

Conformally and gauge invariant spin-2 field equations

Using an approach based on the Casimir operators of the de Sitter group, conformally invariant equations for a fundamental spin-2 field are obtained, and their consistency is discussed. It is shown that only when the spin-2 field is interpreted as a 1-form assuming values in the Lie algebra of the translation group, rather than a symmetric second-rank tensor, the field equation is both conformally and gauge invariant. © 2013 Pleiades Publishing, Ltd.

Gap solitons in a spin-orbit-coupled bose-einstein condensate

We report a diversity of stable gap solitons in a spin-orbit-coupled Bose-Einstein condensate subject to a spatially periodic Zeeman field. It is shown that the solitons can be classified by the main physical symmetries they obey, i.e., symmetries with respect to parity (P), time (T), and internal degree of freedom, i.e., spin (C), inversions. The conventional gap and gap-stripe solitons are obtained in lattices with different parameters. It is shown that solitons of the same type but obeying different symmetries can exist in the same lattice at different spatial locations. PT and CPT symmetric solitons have antiferromagnetic structure and are characterized, respectively, by nonzero and zero total magnetizations. © 2013 American Physical Society.

Thermal phase transition for some spin-boson models

In this work we study two different spin-boson models. Such models are generalizations of the Dicke model, it means they describe systems of N identical two-level atoms coupled to a single-mode quantized bosonic field, assuming the rotating wave approximation. In the first model, we consider the wavelength of the bosonic field to be of the order of the linear dimension of the material composed of the atoms, therefore we consider the spatial sinusoidal form of the bosonic field. The second model is the Thompson model, where we consider the presence of phonons in the material composed of the atoms. We study finite temperature properties of the models using the path integral approach and functional methods. In the thermodynamic limit, N→∞, the systems exhibit phase transitions from normal to superradiant phase at some critical values of temperature and coupling constant. We find the asymptotic behavior of the partition functions and the collective spectrums of the systems in the normal and the superradiant phases. We observe that the collective spectrums have zero energy values in the superradiant phases, corresponding to the Goldstone mode associated to the continuous symmetry breaking of the models. Our analysis and results are valid in the limit of zero temperature β→∞, where the models exhibit quantum phase transitions. © 2013 Elsevier B.V. All rights reserved.

Efeitos estruturais e ópticos da incorporação de Mn em filmes nanocristalinos de 'Ga IND. 1-x Mn IND. xAs' preparados por sputtering

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

Efeitos estruturais e ópticos da incorporação de Mn em filmes nanocristalinos de 'GA IND.1-x'MN IND.XN' preparados por sputtering reativo

Pós-graduação em Ciência e Tecnologia de Materiais - FC

Partículas de spin-1 em D-dimensões via tensor simétrico

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Teorias duais massivas de spin-2 em D=2+1 via ação mestra e imersão de Noether

Pós-graduação em Física - FEG

Medidas de ressonância de spin eletrônico (RSE) em polianilina dopada com plastificante e de condutividade a.c. e RSE em óxidos

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

Bósons de spin 0 e spin 1 em um duplo degrau de potencial com acoplamento vetorial não-mínimo no formalismo de Duffin-Kemmer-Petiau

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Espalhamento e estados ligados de partículas de spin 1/2 em um potencial degrau suave com acoplamentos escalar e vetorial

Pós-graduação em Física - FEG