Mestrado em Física (IF)

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Análise comparativa da eficiência fotodinâmica de fotossensibilizadores em sua forma base livre e formando complexados com zinco
(Universidade Federal de Goiás, 2014-04-09) Alonso, Lais; Gonçalves, Pablo José; http://lattes.cnpq.br/0515343409614452; Gonçalves, Pablo José; Borissevitch, Iouri; Bakuzis, Andris Figueiroa
Photodynamic therapy (PDT) is a technique that has been increasingly used in cancer treatment. It consists in introduce a photosensitizer (PS) in cancerous tissue and irradiate it with light in the visible range. Targeting a more effective treatment of PDT, currently there are several studies on the efficacy of these PS. In this work, we studied the photodynamic efficiency seven PS: meso-tetrametilpiridil, meso-tetrasulfonatofenil and carboxiftalocianinas with their base free or metallated with zinc atom in its center ring and protoporphyrin IX. Erythrocytes suspended in 2 to 10% hematocrit were treated with or without 25 μM of PS were exposed to light from a halogen lamp, and measured the time required to obtain 50 % hemolysis (T1/2). To examine whether the photodynamic efficiency is related to the affinity of PS by membrane, we performed measurements of the octanol/water partition coefficient (PO/W) of each PS. Our results indicated that the PS studied were very hydrophilic and showed a trend for greater photodynamic efficiency the PS with higher Log PO/W. To better understand the mechanism of action of the studied PS the degree of lipid peroxidation in erythrocyte membranes irradiated with PS was assessed by measuring the formation of malondialdehyde (MDA) and a correlation between the rate of peroxidation and hemolytic potential was found. The ability of PS to degrade proteins was assessed using bovine serum albumin (BSA), monitoring the fluorescent signal of this protein into solution and under irradiation in the presence of PS.
Análise estrutural cristalográfica de protótipos de fármacos derivados de N-fenilpiperazina e de N-acilidrazona
(Universidade Federal de Goiás, 2012-03-26) Castro, Rosane de Paula; Sabino, José Ricardo; Sabino, José Ricardo; Aparício, Ricardo; Marques, Ivo de Almeida
In this work will be done initially, a review of the fundamentals of crystallography, besides the description of Direct Methods, commonly used in structural determination of small molecules, and the process of refinement of the obtained structure. The techniques for crystal growth will be presented and also a discussion about the process of data collection in the CAD4 diffractometer. Next, the process of obtaining single crystals and the crystallographic analysis of five novel compounds, which were synthesized by the Laborat´orio de Avaliac¸ ˜ao e S´ıntese de Substˆancias Bioativas (LASSBio) of Universidade Federal do Rio de Janeiro (UFRJ), are presented. These compounds are analogues of drugs, derivatives of N-phenylpiperazine and N-acylhydrazones, fragments that have important biological activities. The crystallographic structures of the following derivatives of N-phenylpiperazine were elucidated : LASSBio-1597, very active as anti-inflammatory, and an inclusion complex of the antipsychotic prototype, LASSBio-579, a dopamine receptor agonist, in β- cyclodextrin. The other compounds elucidated by X-ray crystallography are the N-acylhydrazones derivatives LASSBio-1606 analogue of Piroxicam, and compounds LASSBio-1586 polymorph I and LASSBio-1586 polymorph II , combretastatin-A4 analogue having potent anti-cancer activity, whose crystallographic analysis aimed to verify the existence of polymorphism suggested by DSC analysis (Differential scanning calorimetry).
Anisotropia magnética em tricamadas epitaxiais Fe/Mn/Fe
(Universidade Federal de Goiás, 2010-04-08) Pessoa, Marcio Solino; Pelegrini, Fernando; http://lattes.cnpq.br/0159280600583768; Pelegrini, Fernando; Nascimento, Valberto Pedruzzi; Avelar, Ardiley Torres
The ferromagnetic resonance (FMR) technique at the microwave frequencies of X-band (9.79 GHz) and Q-band (34 Ghz) was used to study, at room temperature, the magnetic anisotropy of Fe/Mn/Fe trilayers. The samples studied were grown by molecular beam epitaxy onto MgO substrates at the temperatures of 50 ° C, 150 ° C and 175 ° C, at the pressure of 4 x 10-11 Torr. The thicknesses of the distinct layers were 5 or 10 nm for the bottom Fe layer grown onto the MgO substrate, varied from 0.8 to 1.35 nm, for the Mn spacer layer, and was kept constant and equal to 5 nm, for the top Fe layer. The FMR spectra of the symmetrical trilayer at X and Q-band microwave frequencies show only the uniform resonance mode. Asymmetrical trilayers also show non resonant and/or non aligned modes at X-band frequency, but only the uniform mode at Q-band frequency. For some samples this result gives evidence of a non-collinear coupling between the Fe layers in the presence of low intensity magnetic fields. The out-of-plane angular dependence of the absorption fields show that the magnetization for all trilayers studied is in the plane of the sample. The magnetic anisotropy was deduced from the in-plane angular dependence of the uniform resonance mode at Q-band frequency, taking the free energy of the magnetic system as the result of contributions from Zeeman, demagnetizing, and in-plane cubic magnetocrystalline anisotropy energies. Fourfold in-plane anisotropy fields of 600 Oe and effective magnetizations above 16000 G were observed. The set of results obtained shows the high sensitivity and versatility of the FMR technique to study the magnetic properties of epitaxially grown monocrystalline nanometric structures.
Aplicação do método de Rietveld `a determinação da distribuição de cátions em ferritas de cobalto e de magnésio
(Universidade Federal de Goiás, 2010) Nunes, Rafael Silva; Sabino, José Ricardo; http://lattes.cnpq.br/9101677399031185
We present cobalt ferrites (CoxFe3−xO4) and magnesium ferrites (MgxFe3−xO4) nanoparticles synthesized by combustion reaction and coprecipitation. The study by powder diffraction, with CuK (λ =1,5406 °A) radiation, allowed us a phase qualitative analysis, determine the lattice parameter and the crystallites average size. How Co and Fe scattering factor are close to this radiation, we also used synchrotron radiation with energies 7.038 KeV, 7.112 KeV, 7.122 KeV and 7.718 KeV. With Rietveld refinement we made a phase quantitative analysis, we found Fe2O3, MgO and MgO2 as additional phases for MgxFe3−xO4 and we found CoO and Co3O4 as additional phases for Co1,2Fe1,8O4, all obtained by combustion method. The distribution determined for all ferrites nanoparticles characterized a cubic spinel type mixed, i.e. divalent ions were found in both sites. With experiments on a vibrating sample magnetometer (VSM) we compare the saturation magnetization of our samples with the magnetization of the unit cell calculated from the distribution determined experimentally.
Avaliação dos efeitos das hipertermias magnética e fototérmica na síntese de heteroestruturas à base de nanopartículas de MnFe2O4 e Au
(Universidade Federal de Goiás, 2015-12-14) Sousa Júnior, Ailton Antônio de; Bakuzis, Andris Figueiroa; http://lattes.cnpq.br/3477269475651042; Bakuzis, Andris Figueiroa; Lima, Emília Celma de Oliveira; Castro, Marcos Antônio de; Mendanha Neto, Sebastião Antônio
The purpose of this project is to synthesize and characterize heterostructures composed by manganese ferrite nanoparticles (MnFe2O4 NPs) and gold nanoparticles (Au NPs) able to: 1) respond to external alternating magnetic fields, what would enable their use in cancer diagnostic as contrast agentes for magnetic resonance imaging, as well as in cancer treatment via magnetic hyperthermia; 2) respond to eletromagnetic radiation, what would enable their use in cancer diagnostic as contrast agents for X-ray computed tomography (CT), as well as in cancer treatment via photothermal hyperthermia. We evaluate four MnFe2O4-Au heterostructures synthesis protocols. On Protocol 1, we use part of the energy of a laser beam (808 nm, 800 mW) to promote the nucleation of Au NPs at the surface of previously synthesized MnFe2O4 NPs covered by DMSA (dimercaptosuccinic acid). On Protocol 2, we use part of the energy of an alternating magnetic field (333,8 kHz, 17 mT) to promote this nucleation. We also perform an analysis of the influence of MnFe2O4 NPs covering layer, by comparing the ionic surfactants DMSA and sodium citrate. On Protocols 3 and 4, both the magnetic cores (MnFe2O4 NPs) and the metalic cores (Au NPs) are previously synthesized. Therefore, three Au NPs synthesis methods are evaluated. On Protocol 3, we promote the coupling between Au NPs and MnFe2O4-DMSA NPs using part of the energy from the same laser beam used on Protocol 1. On Protocol 4, we promote the coupling between cysteine-covered Au NPs and lysine-covered MnFe2O4 NPs via peptidic reaction between these two aminoacids. Finally, we conduct a comparative analysis between magnetic and photothermal hyperthermia, proposing a method for the determination of the optical SLP (Specific Loss Power). Moreover, we submit some of our samples to CT imaging. Protocol 1 is the best one in terms of covering the magnetic core by Au NPs. Protocol 2 allows the nucleation of Au NPs with diameters greater than the ones obtained via Protocol 1. Protocols 3 and 4 offer nanostructures with better potential with respect to their use as contrast agents in CT. However, the final yield of all four protocols is very low. Comparing magnetic and photothermal hyperthermia, we verify that the optical SLP is two to three orders of magnitude greater than the magnetic SLP under the assessed conditions, what suggests that protocols using laser beams have more energy available for the nucleation/coupling of Au NPs at the surface of MnFe2O4 NPs than those using alternating magnetic fields or simple heating on hot plate.
Cálculo da condutividade térmica do Argônio sólido puro e com defeito pontual
(Universidade Federal de Goiás, 2008-03-14) Trindade, Ranyere Deyler; Silva, Ladir Cândido da; http://lattes.cnpq.br/7442411485710574
In this work, using the Green-Kubo method combined with Molecular Dynamic (DM), we calculate the thermal conductivity of a solid Argon "free of defects"and with point defect present, for temperatures varying from 10 up to 60 K at density 22,3 ml/mol. The obtained results are in good agreement with the available theoretical and experimental results in the limites of low and high temperatures, but with some discrepances in about 15 % for intermediate values of temperatures. The purpose to include point defects with the objective of correction of the simulational results to compare with experimental measuremments for intermediate temperatues had not the expected e?ect. However, we believe that it should be due to the fact that the density used in the simulation for the point defect is high based on the experimental estimates of point defect density in this system. Our results suggest that the Green-Kubo method combined with Molecular Dynamics is a powerful tool to calculate the thermal conductivity of solids at high temperatures. With the construction of accurate and reliable interatomic potentials to describe more complex materials, such as high temperature ceramic and minerals at extreme condiction of pressure and temperature, this method could soon become very useful to calculate thermal conductivity in materials where the access to experimental data is hard.
Cálculo da energia de correlação de pequenos clusters de lítio via teoria da informação
(Universidade Federal de Goiás, 2015-07-24) Mello, Victor Giovanni Pina de; Silva, Ladir Cândido da; http://lattes.cnpq.br/7442411485710574; Silva, Ladir Cândido da; Prataviera, Gilberto Aparecido; Almeida, Norton Gomes de
In this dissertation, we use the information theory to obtain the correlation energy of small lithium clusters. Unlike conventional methods for calculation of the correlation energy, the method used here requires only a single calculation in a Hartree-Fock level. With this calculation we obtain a total information energy of the clusters, through the addition of information energy of each atom of the cluster. The correlation energy is a bilinear function of the information energy and number of electrons in the cluster. In order to obtain a general equation for the correlation energy, we use the correlation energy expression that has been obtained through the information theory to t the exact energy of the system using a Monte Carlo quantum simulation of clusters ranging from 1 to 8 lithium atoms. The e ciency of the general equation for the correlation energy has been veri ed through the calculation of the binding energy for clusters of up to 9 and 10 atoms which have not been used in the obtained t. The obtained values for the binding energies are in good agreement with the experimental measurements using photoelectron spectroscopy.
Cálculos de propriedades elétricas da metanol incluindo correções vibracionais e correlação eletrônica
(Universidade Federal de Goiás, 2009) Dutra, Adriano da Silva; Castro, Marcos Antônio de; http://lattes.cnpq.br/3500875789893244
In this work we report results for the polarizability, and first and second hyperpolariz- abilities of the methanol molecule including vibrational corrections and electron correlation effects. The Vibrational corrections were computed using the perturbation theoretic approach of Bishop and Kirtman and the electron correlation effects were taken into account through the CCSD(T) method implemented in the GAUSSIAN 03 program. The electronic contributions to the electric properties were calculated using the finite-field scheme. Comparisons of our CCSD(T) values with previous TDHF result show that the electron correlation effects, are in general, important. An analysis of the importance of the vibrational corrections shows that the zpva correction is not negligible, specially for the hyperpolarizabilities. The pv correction is, in general, important and the double-harmonic approximation is suitable to the calculation of this correction for most of the nonlinear optical processes studied.
Campos escalares aplicados em cosmologia
(Universidade Federal de Goiás, 2018-07-13) Vieira, Lucas Elias; Avelar, Ardiley Torres; http://buscatextual.cnpq.br/buscatextual/visualizacv.do?id=K4766756E0; Avelar, Ardiley Torres; Cardoso, Wesley Bueno; Brito, Francisco de Assis de
In this work, we study topological defects in classical field theory aiming applications in cosmology. Topological and non-topological solutions were investigated in two dimensions, where we also analyzed the stability of some of these. We consider models of one and two real scalar fields, whose solutions were obtained via quadrature, BPS and orbit methods. The stability of these solutions also were investigated in some cases. In order to apply scalar field theory in cosmology, we revisit some topics of general relativity, such that the principle of equivalence, Einstein's field equations and Schwarzschild's solution for Einstein's equation. We also present some topics in cosmology, relevant to the present work, such that the cosmological principle, Hubble's law and cosmological inflation. We discuss the solutions of the Einstein's equations in the FRW metric in the so-called Hot Big Bang model-the universe composed of matter and radiation. In order to solve some problems of initial conditions of the universe, we introduce the inflationary theory, which supposes that the primordial universe was underwent an accelerated expansion guided by a scalar field. In sequence, we introduce the standard cosmological model, which states that the universe is in accelerated expansion driving by a cosmological constant, named dark energy, which constitutes about seventy percent of the universe energy. Finally, we present a first order formalism for cosmology and discuss two model describing the standard and tachyonics dynamics for scalar field that represent the dark energy.
Caracterização estrutural e investigação do efeito exchange bias espontâneo na perovskita dupla La1,5Sr0,5CoMn0,5Fe0,5O6
(Universidade Federal de Goiás, 2021-02-26) Silva, Arthur Garcia; Bufaiçal, Leandro Felix de Sousa; http://lattes.cnpq.br/1392206843733548; Bufaiçal, Leandro Felix de Sousa; Bittar, Eduardo Matzenbacher; Santana, Ricardo Costa de
In this work we describe the synthesis and characterization of the structural, eletronic and magnetic properties of La1.5Sr0.5CoMn0.5Fe0.5O6 compound. Our main focus was on the investigation of 50% of Mn to Fe substitution in La1.5Sr0.5CoMnO6, with a particular interest in the spontaneous exchange bias effect, a phenomena characterized by the shift in the magnetic hysteresis curves taken after the system bein cooled in zero magnetic field. The polycrystalline sample here investigated was syntesized by conventional solid state reaction technique and investigated by means of X-ray powder diffraction, magnetization as a function of temperature [M(T)] and magnetization as a function of magnetic field [M(H)]. The La1.5Sr0.5CoMn0.5Fe0.5O6 crystal forms in rhombohedral symmetry, space group, in agreement with results observed for similar compounds. The M(T) measurements have revealed a ferromagnetic-like transition at TC ≈ 150 K, and also indicated the presence of competing magnetic phases, which leads to the formation of ferromagnetics clusters embedded in a paramagnetic matrix at high temperature. This is a hallmark of the Griffiths Phase, here occurring in the 150 K < T < 205 K range. The M(H) curves carried after cooling the system in zero field have showed that La1.5Sr0.5CoMn0.5Fe0.5O6 exhibits the spontaneous Exchange Bias effect at low temperatures, while for the measurements carried after cooling the system in the presence of a external magnetic field it is observed a significant enhancement of the shift in the M(H) curve.
Caracterização estrutural e magnética do compósito cerâmico ZnO – CoFe2O4
(Universidade Federal de Goiás, 2015-08-12) Oliveira Neto, Francisco de; Franco Júnior, Adolfo; http://lattes.cnpq.br/0187547195548392; Franco Júnior, Adolfo; Araújo, Olacir Alves; Bufaiçal, Leandro Felix de Sousa
Multiferroic materials that simultaneously exhibit two or more physical properties have increasingly raised the interest of the scientific and technological community to develop new multifunctional materials. The discuss all stages of manufacturing, morphological, structural and magnetic characterization of a multifunctional composite containing zinc oxide and cobalt ferrite. Thus, studies of ZnO, and the CoFe2O4 composite (0,80ZnO+0,20 CoFe2O4) initiated by the synthesis of nanosized powders by combustion reaction phases were performed. The compounds studied were sintered at different temperatures (1100 to 1250°C) to obtain relative density near to 90% of the theoretical density. Analysis by scanning electron microscopy, spectroscopy energy dispersive, vibrating sample magnometry and diffraction ray-X were made. Measurements of magnetic properties were conducted at room temperature (22°C) and high temperature (22°C to 700°C). In the samples, formation of ceramic structures was verified, the stoichiometry of the proposed chemical compounds was maintained and possibly the formation of a mixed zinc and cobalt ferrite to composite samples. In the sample of the composite sintered at 1250°C there was the formation of cubic zinc oxide. The magnetic behavior and magnetic anisotropy of the samples were similar, however, significant differences were observed in the values of the Curie temperature, coercive field, can assume different origins for the magnetic CoFe2O4 and the composite (0,80ZnO+0,20CoFe2O4) due, perhaps to the formation of a mixed ferrite.
Condutância em nanofios magnéticos diluídos
(Universidade Federal de Goiás, 2010) Mendes, Udson Cabra; Leão, Salvino de Araújo; Avelar, Ardiley Torres; http://lattes.cnpq.br/5732286631137637
We investigate core-shell nanowires of diluted magnetic semiconductors (DMS) with remote n-type modulation doping. The incorporation of Mn2 ions acting as spin 5/2 impurities in the core region of the wire gives rise to a strong s-d exchange coupling between electrons in the wire and those of the d levels of the Mn2 ions. Applying an external magnetic eld along the axis of the wire, within the mean eld approximation, the s-d exchange generates a spin-dependent core potential. A gate voltage is applied radially to wire, to obtain some control over the density of the wire. Electronic strucutre of the wire was calculated within the e?ective mass approximation, in both approximations Hartree and spin density functional theory. We calculated the conductance of wire using the Landauer-B?uttiker formulation in the linear response regime, which generally results in a total conductance with well-de ned plateaus in GT = 2; 6; 10G0 (G0 = e2=h is the quanta of conductance), which occurred because in the system investigated the rst level is twofold degenerated (spin degenerescence) and the others are fourfold degenerated (spin degenerescence and orbital angular momentum). In the absence of a magnetic eld we observe that when we take into account the e?ects of exchange and correlation, the states with eigenvalues of Lz nonzero will be polarized while those with l = 0 isn't polarized. This unpolarized level with eigenvalue of Lz null suggests that, perhaps, the 0.7 anomaly (the emergence of two plateau at G = 0:7G0 and the other in G = G0) quantum wires on existing geometry of split-gate is related to the geometry of the wire. The results for total energy show that there are a competition between the ferromagnetic and paramagnetic states.
Correções vibracionais para as (hiper)polarizabilidades do sal de lítio de piridazina Li -H3C4N2
(Universidade Federal de Goiás, 2014-02-03) Silveira Júnior, Orlando José; Castro, Marcos Antônio de; http://lattes.cnpq.br/3500875789893244; Castro, Marcos Antônio de; Mundim, Kleber Carlos; Pontes, Renato Borges
In this work we report dynamic values for the (hyper)polarizabilities of lithium salt of pyridazine Li H3C4N2 including vibrational corrections. The electronic contributions were computed analytically at the single and double coupled cluster level (CCSD) through response theory, as implemented in the DALTON program, with the aug-cc-pVDZ basis set. The calculations for the vibrational corrections were carried out at the second-order Møller-Plesset level (MP2) by means of the perturbation theoretical method of Bishop and Kirtman and also using a variational approach proposed here. The results obtained for the zero-point vibrational average (zpva) corrections show that the two approaches lead practically to the same results, accounting for 2 and 6 % of the corresponding electronic contributions for polarizability and _rst hyperpolarizability, respectively. The results ob-tained show that, at the static limit, the pure vibrational corrections for the polarizability and _rst and second hyperpolarizabilities have the same order of magnitude of the corre-sponding electronic contributions. Comparisons between the results obtained through the two methods show that the perturbation theoretical method is not suitable to treat the system studied, whereas the variational methodology presented seems to be an alternative approach to treat anharmonic systems.
Correções vibracionais para as segundas hiperpolarizabilidades de clusters AlnPn
(Universidade Federal de Goiás, 2015-03-25) Feitoza, Luan da Silva; Castro, Marcos Antônio de; http://lattes.cnpq.br/3500875789893244; Castro, Marcos Antônio de; Varella, Márcio Teixeira do Nascimento; Georg, Herbert de Castro
This work presents the vibrational contributions for the static and dynamic second hyperpolarizabilities of the clusters Al2P2, Al3P3, Al4P4, Al6P6 and Al9P9. The optimized geometries and the calculations of harmonic vibrational frequencies, dipole moments ( ), polarizabilities ( ) and first hyperpolarizabilities ( ) were performed at the MP2 level along with the basis set aug-cc-pVDZ using the GAUSSIAN 09 program. The calculations of vibrational corrections were performed using the perturbation theoretical method of Bishop and Kirtman (PT) and a variational methodology (VAR) developed in our research group. The outcomes show that the vibrational corrections have the same magnitude order of electronic contributions, therefore cannot be neglected. The results also showed that PT method is sufficient to obtain the most relevant terms, [ 2] and [ ], but there are limitations to compute the term [ 2 ], which is related to the system anharmonicities. The vibrational corrections by atom have a similar convergence trend to that exhibited by the related electronic contribution by atom as the number of atoms increases. The nonlinear optical processes IDRI, dc-SHG and dc-K were studied for the dynamic vibrational corrections. Dynamic results reflect static vibrational results. In particular, the frequencies of the modes that contribute most in the static limit are associated with the peaks of the second dynamic hyperpolarizability.
Correlações quânticas e generalização da entropia de von Neumann
(Universidade Federal de Goiás, 2012-04-10) Carrijo, Thiago Mureebe; Almeida, Norton Gomes de; Avelar, Ardiley Torres; http://lattes.cnpq.br/573228661137637; Avelar, Ardiley Torres; Almeida, Norton Gomes de; Cardoso, Wesley Bueno; Serra, Roberto Menezes
This work has the goal to treat the concept of correlation on both classical and quantum, addressing what already exists about the matter and giving a new perspective about it. Beyond this, we propose a new manner to calculate the amount of information of a quantum system. For this, the EPR paradox, Bell theorem, entanglement concept, Shannon and von Neumann entropies, code theory and the quantum correlation measure so-called quantum discord will be discussed. From those subjects, two generalizations will be proposed: of the von Neumann entropy and the quantum correlation concept. Some features e properties will be discussed about these new definitions, however there is still much to be investigated about its implications.
Correlações quânticas em sistemas críticos
(Universidade Federal de Goiás, 2015-07-24) Nascimento , Andesson Brito; Céleri , Lucas Chibebe; http://lattes.cnpq.br/6630683190018665; Céleri, Lucas Chibebe; Almeida, Agnaldo Rosa de; Almeida, Norton Gomes de
Correlations are ubiquitous in nature and have played an extremely important role in human life for a long time. For example, in economy, correlations between price and demand are extremely important for a businessman (or even a government) to make decisions regarding their investment policy. In the field of biology, genetic correlations are central to follow individual characteristics. The relationship between income distribution and crime rate is just one example coming from the social sciences. Mathematically, correlation is a number that describes the degree of relationship between two variables. In the classical domain, this number can be computed in the context of information theory, developed by Shannon in 1948. Focusing on the subject of the present work, the discussion regarding the quantum nature of the correlations permeates physics since Einstein, Podolski and Rosen published their famous article criticizing quantum mechanics. Since then, the so-called quantum correlations have been shown to be a very important tool in the study of many-bodies physics. Another feature of many-body physics is that certain systems, under certain conditions, exhibit what we call quantum phase transition. Such transitions are analogous to the classical transitions, but being governed by purely quantum fluctuations and, as such, may occur at zero temperature, unlike the former, which are guided by thermal fluctuations. One of the main phenomenon that characterizes these transitions is the fact that the correlation length (defined between two subsystems of the global system) highly increases at the transition point. This means that such subsystems can be strongly correlated even if they are separated by a large distance. The main goal of the present work is the study of quantum correlations, specifically the entanglement and the local quantum uncertainty (LQU), in systems presenting one or more quantum phase transitions. Specifically, we consider three models of spin chains: 1) The XY and the XY T, which describes chains of spins- 1=2 —the second considering three spins interaction while the first one takes into account only pairwise interactions; 2) A model describing a chain formed by bosonic spins, i.e. particles with spin-1. As a general conclusion, quantum correlation provides a very powerful tool for the study of critical phenomena, providing, among other things, a means to identify a quantum phase transition.
Crescimento de cristais de Bi2TeO5
(Universidade Federal de Goiás, 2010-07-30) FABRIS, Zanine Vargas; CARVALHO, Jesiel Freitas; http://lattes.cnpq.br/5841291496427516
Bi2TeO5 (bismuth tellurite) crystals are photorefractive materials appropriate for permanent holographic recording. They are capable to retain a hologram for a long time, several years in the dark, without further fix processes. Just some groups around the world have grown bismuth tellurite single crystals even with their interesting properties. It may be caused by the relatively difficulty for grow this crystal, mainly due to the high vapor pressure of tellurium oxide and the easy crystal cleavage. The present work was dedicated to study the crystal growth process of Bi2TeO5 by Czochralski method in a low thermal gradient system. Tellurium oxide excess was used in the starting composition to compensate its lost during crystal growth, and also this starting material was previously synthesized by solid state reaction before fusion. We have performed tests with 1Bi2O3 : 1,03TeO2 and 1Bi2O3 : 1,10TeO2 liquid phase compositions. Also, we tried to use a double crucible configuration, with pure tellurium oxide between the walls. Pulling and rotate rates are critical parameters. Pulling and rotate rates of 0,1 to 0,4 mm/h and 10 to 15 rpm, respectively, were appropriated parameters for our growth system. Good size and crystalline quality crystals have been grown. We have obtained samples of sufficient quality to perform preliminary optical measurements and structural characterization.
Derivação de interações efetivas de elétrons em membrana bidimensional (grafeno) utilizando transformações de Hubbard- Stratonovich
(Universidade Federal de Goiás, 2015-03-20) Freire, Luiz Eduardo de Sousa; Braghin, Fábio Luís; http://lattes.cnpq.br/9375085677737347; Braghin, Fábio Luis; Marino, Eduardo Cantera; Silva, Hermann Freire F. L. e
In this paper we investigate two-dimensional membranes, such as graphene, using Quantum Field Theory, more specifically by the path integral formalism and using Hubbard- Stratonovich transformations. With graphene as a motivation, we use models for electrons in a graphene layer, when they interact with phonons, Kekule deformation and gauge fields. We start by considering a theory in which bosons and fermions interact via a Yukawa type coupling. We present a method already known to eliminate the degrees of freedom of the fermionic system and use the Hubbard-Stratonovich transformations to derive an effective bosonic theory. For this, we introduce an auxiliary field in the model and show that the effective theory for this field is equivalent to the effective theory for the physical bosonic field. Thus, we calculated and obtained the gap equations for this system in 1+1, 2+1 and 3+1 dimensions and then compared with the Gross-Neveu model for quartic interactions between fermions in 1+1 dimensions. We see that for a particular coupling constant the massive electrons lose all their mass by interacting with bosons, an effect caused by symmetry breaking. We then present the chiral gauge model of Jackiw-Pi for graphene, where Yukawa type interactions are present. However, this theory is a particular case of a more general model proposed by Frederico et al. where bosonic self-interactions at higher orders and bosons/fermions with more general interactions are considered. Again, we use the Hubbard- Stratonovich transformations to derive effective models for fermions and the gap equations. We identified chiral invariance transformations of the group U(1) for the limiting case of Jackiw-Pi model. Finally, we investigated a model for phonons in the graphene background, more specifically building on the papers by Katsnelson et al. Guinea et al.. At this point, anharmonic terms are included in the Lagrangian of the system in an attempt to describe changes in the background structure. We eliminate the degrees of freedom of the scalar system, which are responsible for describing power modes on and off plane and thus obtained an effective theory for the electronic part. As in the previous model, we see a change in the effective potential and derive their gap equations. Finally, we present the Coulomb potential to derive an effective theory for fermions when they interact with a gauge field. Thus, we compare this result with the studied models and analyzed the effective fermionic interactions present in the obtained Lagrangians.
Dinâmica de proteínas: efeitos da hidratação em estrato córneo e de detergentes em albumina
(Universidade Federal de Goiás, 2002-12-19) Silva, Junaine Vasques da; Alonso, Antônio; http://lattes.cnpq.br/5013069863616789; Alonso, Antônio; Ito, Amando Siuiti; Rabelo, José Nicodemos Teixeira
The main function of the most superficial layer of the epidermis, the Stratum Corneum (SC), is to provide a physical barrier that controls the transepidermal water loss as well as the permeation of another substances in both directions across the skin. The SC is formed by anabolically dead cells, the terminally differentiated corneocyte, and its function is essentially accomplished by forming a highly insoluble protein structure on the surface of the corneocytes, termed the cornified cell envelope, and by impeding water diffusion across the SC by mortaring the corneocytes together by layers of skin-specific lipids, essentially ceramide, cholesterol and fatty acid. In this work the cell envelope of the SC was spin labeled with a sulfhydryl-specific nitroxide reagent to investigate the water content effects upon the protein dynamics directly in the intact tissue. A two-state model for the nitroxide side chain described the coexistence of two spectral components in the electron paramagnetic resonance (EPR) spectra. The so-called strongly immobilized component, S, is associated with the EPR signal of a motionally restricted nitroxide fraction having its N-O group hydrogen bonded to protein (rigid structure) while the weakly immobilized component, W, corresponds to the signal provided by the spin labels with higher mobility (~10 times greater) exposed to the aqueous environment. The relative populations between these two mobility states, S and W, are in thermodynamic equilibrium. The standard Gibbs free energy, enthalpy and entropy changes for transferring the nitroxide side chain from the state contacting the solvent, W, to the one contacting protein, S, indicated that the reduction of the SC water content to below ~h 0.69, g H2O per g dry SC, stabilizes the protein interacting state, S. Upon decreasing the SC hydration level below ~h 0.69 the segmental motion of the polypeptide chains and the rotational motion of the spin-labeled side chain were also constrained. To test our methodology in a pure and very well known protein, we also studied the effects of two types of detergents on the bovine serum albumin (BSA). Both detergents, the anionic sodium dodecyl sulfate (SDS) and the zwitterionic N-hexadecyl-N,N-dimethyl-3-ammonium-1-propanesulfonate (HPS) increase the mobility of the protein backbone and of the nitroxide side chain. The thermodynamic parameters indicated that these detergents destabilize the protein favoring less compact conformations. This work can also be useful to improve the spectral analysis of site-directed spin labeling, especially for a more quantitative description in terms of thermodynamic parameters.
Dinâmica e decaimento de sólitons escuros em condensados de Bose-Einstein atômicos quase-unidimensionais
(Universidade Federal de Goiás, 2014-02-25) Couto, Hugo Leonardo Carvalhaes; Cardoso, Wesley Bueno; Cardoso, Wesley Bueno; Losano, Laercio; Avelar, Ardiley Torres
(Sem resumo em outra língua)

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