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  • About
  • The Global ETD Search service is a free service for researchers to find electronic theses and dissertations. This service is provided by the Networked Digital Library of Theses and Dissertations.
    Our metadata is collected from universities around the world. If you manage a university/consortium/country archive and want to be added, details can be found on the NDLTD website.
11

Scottish mercenaries in the service of Denmark and Sweden, 1626-1632

Fallon, James A. January 1973 (has links)
No description available.
12

A Framework Supporting Development of Ontology-Based Web Applications

Tankashala, Shireesha 17 December 2010 (has links)
We have developed a framework to support development of ontology based Web applications. This framework is composed of a tree-view browser, an attribute selector, the ontology persistence module, an ontology query module, and a utility class that allows the users, to plug-in their own customized functions. The framework supports SPARQL-DL query language. The purpose of this framework is to shield the complexity of ontology from the users and thereby ease the development of ontology based Web applications. Having high quality ontology and using this framework, the end-users can develop Web applications in many domains. For example, a professor can create highly customized study guides; a domain expert can generate the Web forms for data collections; a geologist can create a Google Maps mashup. We have also reported three ontology-based Web applications in education, meteorology and geographic information system.
13

Random Walks on Diestel--Leader Graphs

D. Bertacchi, Andreas.Cap@esi.ac.at 05 March 2001 (has links)
No description available.
14

Developing a quality improvement taxonomy /

Pang, Eva Y., January 1990 (has links)
Thesis (M.S.)--Virginia Polytechnic Institute and State University, 1990. / Vita. Abstract. Includes bibliographical references. Also available via the Internet.
15

Exigência nutricional e bioeficácia de metionina + cistina digestível em pintos de corte / Nutritional requirements and bioavailability of methionine plus cystine in broiler chicks

Klucinec, Eliane Carina 31 July 2013 (has links)
Made available in DSpace on 2017-07-10T17:47:55Z (GMT). No. of bitstreams: 1 Eliane_Carina_Klucinec.pdf: 1429928 bytes, checksum: 3369c8782239fbb484229fb5f23cda39 (MD5) Previous issue date: 2013-07-31 / The aim of this study was to evaluate the bioavailability and nutritional requirement of methionine and cystine (met + cys) in broiler chicks from 1 to 21 days of age. To determine the nutritional requirement 750 broiler chicks were distributed in a completely randomized design with five increasing levels of met + cys (0.710%, 0.780%, 0.820%, 0.880% and 0.940%). To determine the bioavailability of the sources of methionine (DLM and DL-HMB) 1050 broiler chicks were used. The experimental design was completely randomized in a 2 x 3 factorial plus an additional treatment without supplemental methionine. Three increasing levels DL-HMB (0.129%, 0.240%, 0.442%) and three levels of DLM (0.084%, 0.156%, 0.287%) were used in an amount of 65% of DL-HMB levels. The parameters studied for requirement and bioavailability were: feed intake, weight gain and feed conversion. When there were significant differences between treatments a polynomial regression analysis was applied to determine the requirement and the linear regression analysis simultaneous and exponential was used to determine the bioavailability based on body weight and feed conversion in birds. The values for met + cys requirements for the phases were: 0.891% (1 to 7 days), 0.917% (1 to 14 days), 0.912% and 0.94% (1 to 21 days). For bioavailability an improvement in animal performance was observed, regardless of the source used, compared to broilers fed the basal diet. Exponencial regression analysis and simultaneous linear revealed the average bioavailability of DL-HMB compared to DLM weight gain and feed conversion respectively: 70% and 38% (1 to 7 days); 63% and 59% (1 to 14 days); 79% and 53% (1-21 days) in a basis of products / O objetivo deste estudo consistiu em avaliar a exigência nutricional e a bioeficácia de metionina + cistina (met + cis) em pintos de corte, no período de 1 a 21 dias de idade. Para determinar a exigência nutricional foram utilizados 750 pintos de corte distribuídos em delineamento inteiramente casualizado, com cinco níveis crescentes de met + cis (0,710%; 0,780%; 0,820%; 0,880%; 0,940%). Para determinar a bioeficácia das fontes de metionina (DLM e DL-HMB) foram utilizados 1050 pintos de corte. O delineamento utilizado foi o inteiramente casualizado em esquema fatorial 2 x 3, e um tratamento adicional sem suplementação de metionina. Foram utilizados três níveis crescentes de DL-HMB (0,129%; 0,240%; 0,442%) e três níveis de DLM (0,084%; 0,156%; 0,287%) em quantidade equivalente de 65% dos níveis de DL-HMB. Os parâmetros avaliados neste trabalho para exigência e bioeficácia foram: consumo de ração, ganho de peso e conversão alimentar. Havendo significância entre os tratamentos, foi aplicada análise de regressão polinomial para determinar a exigência e a análise de regressão simultânea exponencial e linear foi usada para determinar a bioeficácia, baseada no peso corporal e na conversão alimentar das aves. Os valores de exigências de met + cis para as fases estudadas foram: 0,891% (1 a 7 dias); 0,917% (1 a 14 dias), 0,912% e 0,94% (1 a 21 dias). Para a bioeficácia, observou-se uma melhora no desempenho dos animais, independentemente da fonte utilizada, em relação aos frangos alimentados com a dieta basal. A análise de regressão exponencial e linear simultânea revelaram bioeficácia média da DL-HMB em relação DLM, para ganho de peso e conversão alimentar respectivamente, de: 70% e 38% (1 a 7 dias); 63% e 59% (1 a 14 dias); 79% e 53% (1 a 21 dias), em uma base de produtos
16

Neolithic rock-art in the north of Europe : structures, discourses and agency

Smith, Robert January 2015 (has links)
Archaeology involves creating meaningful narratives of prehistoric societies, using only the remains of their material culture. This study focuses on Neolithic rock-art in two very different regions – Jämtland (Northern Sweden) and Cumbria (North West England) – seeking to explore, directly, the ‘meaningfulness’ of this art. During the Neolithic period in Britain (c. 4000-2400 BC) and Northern Sweden (c. 4000-1800 BC), rocky outcrops were elaborated either by pecking abstract designs (Britain) or by carving and painting animal and human representations (Northern Sweden). Prehistoric rock-art in Britain and Scandinavia is usually understood and made ‘meaningful’ in relation to one, or a combination of, methodological approaches: it may be understood as part of the landscape (experienced through the human body (phenomenology)), or given meaning in light of ethnographic evidence. All of these approaches, however, ignore the subtle ways in which the rock-art itself was structured. The study, presented here, employed three methodological approaches in order to attempt to understand rock-art in a new and, arguably, more meaningful way. Firstly, a structure- based approach involved establishing the primary methods that the carvers used to create meaningful rock-art narratives. Secondly, a discourse- based approach was used to uncover how these basic design forms were articulated, to allow communication and dialogue of Neolithic ideas into the sphere of social practice (discourse being an attempt to identify themes within the rock-art narratives, which act as intermediaries between structure and agency). Finally, the third agency- based approach blends structure with discourse (agency allowed meaningful social action to occur during the Neolithic). The structure-based approach in Cumbria revealed that the art of the central fells region was based on the manipulation of natural and cultural cups or circles into linear patterns. This is in contrast with the approach in eastern Cumbria, where the reverse was found- with lines being manipulated into circular shapes. In Jämtland, the fundamental structure of the art was based on the division of elk into both male/female and moving/stationary categories. The results of the discourse methodology revealed that three themes dictated the style of rock-art carvings during the Neolithic, in both Cumbria and Jämtland; naturalistic, stylised and abstract. The agency approach concluded that the visual statements made using the rock-art were examples of agents’ changing relationship with the natural world and the resources it contained- especially the quarrying of stone for axes. Metaphorically, it is argued that the three changing discourses of rock-art were a reflection of the changing relationship people had with the quarrying of stone and its exchange. One of the main implications of this research is the finding that there is still a place for investigating rock-art and material/visual culture. Furthermore, using the methodological approach of this research, we are in a position to explore some of the deeper dimensions of visual culture, and its relationship to social structure and agency, in the Neolithic.
17

Estudo de altas pressões do cristal de DL-ácido glutâmico monohidratado / Study of high pressures of DL-glutamic acid monohydrate crystal

VICTOR, Francisco Marcelo Sousa 30 June 2017 (has links)
Submitted by Rosivalda Pereira (mrs.pereira@ufma.br) on 2017-09-21T18:03:11Z No. of bitstreams: 1 FranciscoMarceloVictor.pdf: 2391704 bytes, checksum: 4edeacd54e236a943cfebb1187a37c40 (MD5) / Made available in DSpace on 2017-09-21T18:03:11Z (GMT). No. of bitstreams: 1 FranciscoMarceloVictor.pdf: 2391704 bytes, checksum: 4edeacd54e236a943cfebb1187a37c40 (MD5) Previous issue date: 2017-06-30 / Fundação de Amparo à Pesquisa e ao Desenvolvimento Científico e Tecnológico do Maranhão / In this work, DL-glutamic acid monohydrate crystals (DLAGM) were grown by the technique of slow evaporation of the solvent. Initially the crystal was characterized by Xray diffraction using the powder method and its structural parameters adjusted by the Rietveld method, and thus, its orthorhombic crystal structure of space group Pbca (D2h), with eight molecules per unit cell. Raman scattering measurements were performed and the vibrational normal modes of DLAGM crystal were tentatively assigned using, mainly, glutamic acid polymorph crystals. The DLAGM crystal was studied by Raman spectroscopy under conditions of high hydrostatic pressures up to 6.9 GPa, as well as by X-ray diffraction in the range of 3.0-15.0 GPa. Changes in the lattice modes show that the crystal undergoes a phase transition in the pressure range of 5.1-5.7 GPa characterized by the disappearance and splitting of bands as well as the discontinuity in the slope dω/dP of these vibrational modes, modifications in vibrational internal modes (NH3 +, CO2-, H2O) and appearance of new bands. In addition, decompression at ambient pressure shows that the phase transition is reversible. For pressure XRD measurements, a phase transition was observed in the same pressure range as in the Raman experiment (5.0-5.8 GPa), characterized mainly by the appearance of new peaks at 5.8 GPa. Comparing such behaviora with those of L-glutamic hydrochloric, α-glutamic and β-glutamic acids, a great stability is observed for DL-glutamic monohydrate. / Neste trabalho, cristais de DL-ácido glutâmico monohidratados (DLAGM) foram crescidos pela técnica de evaporação lenta do solvente. Inicialmente o cristal foi caracterizado por meio de difração de raios X usando o método do pó e seus parâmetros estruturais ajustados pelo método de Rietveld, e assim, constatando sua estrutura cristalina ortorrômbica de grupo espacial Pbca (D2h), com oito moléculas por célula unitária. Medidas de espalhamento Raman foram realizadas e os modos normais de vibração do cristal foram atribuídos tentativamente usando-se, principalmente, cristais de polimorfos do ácido glutâmico. O cristal de DLAGM foi estudado por espectroscopia Raman em condições de altas pressões hidrostáticas em até 6,9 GPa, bem como por difração de Raios X no intervalo de 3,0-15,0 GPa. Mudanças nos modos de rede mostram que o cristal sofre uma transição de fase no intervalo de pressão de 5,1-5,7 GPa, caracterizada pelo desaparecimento e splitting de bandas, bem como a descontinuidade na inclinação dω/dP destes modos vibracionais, modificações nos modos internos (NH3 + , CO2 - , H2O) e aparecimento de novas bandas. Além disso, a descompressão à pressão ambiente mostra que a transição de fase é reversível. Para as medidas de DRX com pressão, foi verificado uma transição de fase na mesma faixa de pressão daquela observada no experimento Raman (5,0-5,8 GPa), caracterizada principalmente pelo aparecimento de novos picos em 5,8 GPa. Comparando tais comportamentos com os do ácidos L-glutâmico hidrocloridrico, α-glutâmico e β-glutâmico percebe-se uma grande estabilidade para DL-glutâmico monohidratado.
18

Estudo das propriedades vibracionais do aminoácido DL-metionina por Espectroscopia Raman / Study of vibrational properties of amino acid DL-methionine for Raman Spectroscopy

Gusmão, Gustavo Oliveira de Meira January 2014 (has links)
GUSMÃO, Gustavo Oliveira de Meira. Estudo das propriedades vibracionais do aminoácido DL-metionina por Espectroscopia Raman. 2014. 87 f. Tese (Doutorado em Física) - Programa de Pós-Graduação em Física, Departamento de Física, Centro de Ciências, Universidade Federal do Ceará, Fortaleza, 2014. / Submitted by Edvander Pires (edvanderpires@gmail.com) on 2014-10-31T21:05:15Z No. of bitstreams: 1 2014_tese_gomgusmao.pdf: 3607583 bytes, checksum: 0a291595482cfd3c0bfa53179df9d6cf (MD5) / Approved for entry into archive by Edvander Pires(edvanderpires@gmail.com) on 2014-10-31T21:06:54Z (GMT) No. of bitstreams: 1 2014_tese_gomgusmao.pdf: 3607583 bytes, checksum: 0a291595482cfd3c0bfa53179df9d6cf (MD5) / Made available in DSpace on 2014-10-31T21:06:54Z (GMT). No. of bitstreams: 1 2014_tese_gomgusmao.pdf: 3607583 bytes, checksum: 0a291595482cfd3c0bfa53179df9d6cf (MD5) Previous issue date: 2014 / In this work, DL-methionine crystals (C5H11NO2S) are investigated by Raman spectroscopy varying the thermodynamic parameters temperature and pressure. Raman scattering measurements were performed on DL-methionine amino acid (C5H11NO2S) in the form at room temperature in the spectral region between 40 and 3200 cm-1. Subsequently the vibrational modes and wave numbers of the isolated methionine molecule through density functional theory (DFT) calculations were computed by implementing the exchange-correlation functional B3LYP and the basis set of 6-31 G (d, p) with the aid the Gaussian 03. The computational calculations reproduced the characteristics of the material in good agreement with the experimental spectrum. Based on this agreement, it was possible to associate the observed wave numbers with atomic displacements in the molecules. Also for the molecule of DL-methionine calculations distribution of potential energy PED were performed, allowing classifying eigenmodes with greater precision and confront those that have been reported in the literature. Measurements of Raman scattering in the crystal of DL-methionine in the spectral region between 50 cm-1 and 3200 cm-1 were performed from room temperature to the temperature of 10 K. In the spectra, no significant changes were observed, only temperature effects associated with decreasing anharmonicity. In the Raman spectroscopy experiments varying the temperature between 298 K and 443 K, it was found that the crystal of DL-methionine has undergone a structural phase transition at around 338 K, which were detected in the Raman spectra through the changes exhibited by the peaks associated with vibrations mainly attributed to carboxyl (CO2-), NH3+ group, CS and CC bonds and CH2 and CH3 groups. The analysis of the Raman spectra obtained after returning to room temperature revealed the crystal DL-methionine retrieves the beta phase. The experiment of thermal analysis confirms the structural phase transition suggested by Raman spectroscopy experiments at high temperatures. Raman scattering as a function of hydrostatic pressure measurements were done in the DL-methionine crystal. The experiments were performed in the spectral range between 50 cm-1 and 1200 cm-1 compressing the sample from atmospheric pressure up to the pressure of 5.1 GPa and then decompressing it to atmospheric pressure. Changes related to the vibrations of the CO2- and NH3+ units and external modes changes show that the crystal undergoes a structural phase transition at 1.5 GPa involving some of the hydrogen bonds. The results of the decompression show that the phase transition is reversible. / Neste trabalho, cristais de DL-metionina (C5H11NO2S) são investigados através de espectroscopia vibracional variando-se os parâmetros termodinâmicos temperatura e pressão. Medidas de espalhamento Raman foram realizadas no aminoácido DL-metionina (C5H11NO2S) na forma à temperatura ambiente na região espectral entre 40 e 3200 cm-1. Posteriormente foram computados os modos vibracionais e os números de onda da molécula isolada da DL-metionina na forma (C5H11NO2S) através de cálculos de teoria do funcional de densidade (DFT), implementando o funcional de troca e correlação B3LYP e a função de base 6-31 G(d,p) com o auxílio do programa Gaussian 03. Os cálculos computacionais reproduziram as características do material em boa concordância com o espectro experimental. Com base neste acordo, foi possível associar os números de onda observados aos deslocamentos atômicos nas moléculas. Ainda para a molécula de DL-metionina foram realizados cálculos de distribuição de energia potencial PED, o que possibilitou classificar os modos normais de vibração com maior precisão e confrontar com as que foram reportadas na literatura. Foram realizadas medidas de espalhamento Raman no cristal de DL-metionina na região espectral entre 50 cm-1 e 3200 cm-1 desde a temperatura ambiente até a temperatura de 10 K. Nos espectros não foram observadas mudanças significativas, apenas redução dos efeitos de anarmonicidade que se refletiu na mudança de intensidades e larguras de linha. Nos experimentos de espectroscopia Raman variando a temperatura entre 298 K e 443 K, verificou-se que o cristal de DL-metionina sofreu uma transição de fase estrutural em torno de 338 K, as quais foram detectadas no espectro Raman através das mudanças nos picos associados principalmente às vibrações atribuídas ao grupo carboxila (CO2-), e ao grupo anino NH3+, e à ligações CS e CSC e grupos CH2 e CH3. A análise dos espectros Raman obtidos após o retorno a temperatura ambiente revelaram que o cristal de DL-metionina recupera a fase inicial. O experimento de análise térmica confirmou a transição de fase estrutural sugerida pelos experimentos de espectroscopia Raman a altas temperaturas. Medidas de espalhamento Raman em função da pressão hidrostática foram realizadas no cristal de DL-metionina. Os experimentos foram feitos no intervalo espectral entre 50 cm-1 e 1200 cm-1 comprimindo a amostra desde a pressão atmosférica até a pressão de 5,1 GPa e em seguida descomprimindo-a até a pressão atmosférica através do uso de uma célula de pressão a extremos de diamante. Mudanças observadas nos modos externos e em modos relacionados às vibrações das unidades CO2 e NH3+ evidenciaram que o cristal sofre uma transição de fase estrutural em 1,5 GPa, envolvendo ligações de hidrogênio. Os resultados obtidos na descompressão da amostra mostraram que a transição de fase é reversível.
19

Estudo das propriedades vibracionais do aminoácido DL-metionina por espectroscopia Raman / Study of vibrational properties of amino acid Dl-Methionine for Raman Spectroscopy

Gusmão, Gustavo Oliveira de Meira January 2014 (has links)
GUSMÃO, Gustavo Oliveira de Meira. Estudo das propriedades vibracionais do aminoácido DL-metionina por espectroscopia Raman. 2014. 87 f. Tese (Doutorado em Física) - Programa de Pós-Graduação em Física, Departamento de Física, Centro de Ciências, Universidade Federal do Ceará, Fortaleza, 2014. / Submitted by Edvander Pires (edvanderpires@gmail.com) on 2015-10-15T21:42:10Z No. of bitstreams: 1 2014_tese_gomgusmao.pdf: 3607583 bytes, checksum: 0a291595482cfd3c0bfa53179df9d6cf (MD5) / Approved for entry into archive by Edvander Pires(edvanderpires@gmail.com) on 2015-10-20T20:53:15Z (GMT) No. of bitstreams: 1 2014_tese_gomgusmao.pdf: 3607583 bytes, checksum: 0a291595482cfd3c0bfa53179df9d6cf (MD5) / Made available in DSpace on 2015-10-20T20:53:15Z (GMT). No. of bitstreams: 1 2014_tese_gomgusmao.pdf: 3607583 bytes, checksum: 0a291595482cfd3c0bfa53179df9d6cf (MD5) Previous issue date: 2014 / In this work, DL-methionine crystals (C5H11NO2S) are investigated by Raman spectroscopy varying the thermodynamic parameters temperature and pressure. Raman scattering measurements were performed on DL-methionine amino acid (C5H11NO2S) in the form at room temperature in the spectral region between 40 and 3200 cm-1. Subsequently the vibrational modes and wave numbers of the isolated methionine molecule through density functional theory (DFT) calculations were computed by implementing the exchange-correlation functional B3LYP and the basis set of 6-31 G (d, p) with the aid the Gaussian 03. The computational calculations reproduced the characteristics of the material in good agreement with the experimental spectrum. Based on this agreement, it was possible to associate the observed wave numbers with atomic displacements in the molecules. Also for the molecule of DL-methionine calculations distribution of potential energy PED were performed, allowing classifying eigenmodes with greater precision and confront those that have been reported in the literature. Measurements of Raman scattering in the crystal of DL-methionine in the spectral region between 50 cm-1 and 3200 cm-1 were performed from room temperature to the temperature of 10 K. In the spectra, no significant changes were observed, only temperature effects associated with decreasing anharmonicity. In the Raman spectroscopy experiments varying the temperature between 298 K and 443 K, it was found that the crystal of DL-methionine has undergone a structural phase transition at around 338 K, which were detected in the Raman spectra through the changes exhibited by the peaks associated with vibrations mainly attributed to carboxyl (CO2-), NH3+ group, CS and CC bonds and CH2 and CH3 groups. The analysis of the Raman spectra obtained after returning to room temperature revealed the crystal DL-methionine retrieves the beta phase. The experiment of thermal analysis confirms the structural phase transition suggested by Raman spectroscopy experiments at high temperatures. Raman scattering as a function of hydrostatic pressure measurements were done in the DL-methionine crystal. The experiments were performed in the spectral range between 50 cm-1 and 1200 cm-1 compressing the sample from atmospheric pressure up to the pressure of 5.1 GPa and then decompressing it to atmospheric pressure. Changes related to the vibrations of the CO2- and NH3+ units and external modes changes show that the crystal undergoes a structural phase transition at 1.5 GPa involving some of the hydrogen bonds. The results of the decompression show that the phase transition is reversible. / Neste trabalho, cristais de DL-metionina (C5H11NO2S) são investigados através de espectroscopia vibracional variando-se os parâmetros termodinâmicos temperatura e pressão. Medidas de espalhamento Raman foram realizadas no aminoácido DL-metionina (C5H11NO2S) na forma à temperatura ambiente na região espectral entre 40 e 3200 cm-1. Posteriormente foram computados os modos vibracionais e os números de onda da molécula isolada da DL-metionina na forma (C5H11NO2S) através de cálculos de teoria do funcional de densidade (DFT), implementando o funcional de troca e correlação B3LYP e a função de base 6-31 G(d,p) com o auxílio do programa Gaussian 03. Os cálculos computacionais reproduziram as características do material em boa concordância com o espectro experimental. Com base neste acordo, foi possível associar os números de onda observados aos deslocamentos atômicos nas moléculas. Ainda para a molécula de DL-metionina foram realizados cálculos de distribuição de energia potencial PED, o que possibilitou classificar os modos normais de vibração com maior precisão e confrontar com as que foram reportadas na literatura. Foram realizadas medidas de espalhamento Raman no cristal de DL-metionina na região espectral entre 50 cm-1 e 3200 cm-1 desde a temperatura ambiente até a temperatura de 10 K. Nos espectros não foram observadas mudanças significativas, apenas redução dos efeitos de anarmonicidade que se refletiu na mudança de intensidades e larguras de linha. Nos experimentos de espectroscopia Raman variando a temperatura entre 298 K e 443 K, verificou-se que o cristal de DL-metionina sofreu uma transição de fase estrutural em torno de 338 K, as quais foram detectadas no espectro Raman através das mudanças nos picos associados principalmente às vibrações atribuídas ao grupo carboxila (CO2-), e ao grupo anino NH3+, e à ligações CS e CSC e grupos CH2 e CH3. A análise dos espectros Raman obtidos após o retorno a temperatura ambiente revelaram que o cristal de DL-metionina recupera a fase inicial. O experimento de análise térmica confirmou a transição de fase estrutural sugerida pelos experimentos de espectroscopia Raman a altas temperaturas. Medidas de espalhamento Raman em função da pressão hidrostática foram realizadas no cristal de DL-metionina. Os experimentos foram feitos no intervalo espectral entre 50 cm-1 e 1200 cm-1 comprimindo a amostra desde a pressão atmosférica até a pressão de 5,1 GPa e em seguida descomprimindo-a até a pressão atmosférica através do uso de uma célula de pressão a extremos de diamante. Mudanças observadas nos modos externos e em modos relacionados às vibrações das unidades CO2 e NH3+ evidenciaram que o cristal sofre uma transição de fase estrutural em 1,5 GPa, envolvendo ligações de hidrogênio. Os resultados obtidos na descompressão da amostra mostraram que a transição de fase é reversível.
20

Estudo das propriedades vibracionais do aminoÃcido DL-metionina por espectroscopia Raman. / STUDY OF VIBRATIONAL PROPERTIES OF AMINO ACID DL-METHIONINE FOR RAMAN SPECTROSCOPY

Gustavo Oliveira de Meira GusmÃo 06 June 2014 (has links)
Neste trabalho, cristais de DL-metionina (C5H11NO2S) sÃo investigados atravÃs de espectroscopia vibracional variando-se os parÃmetros termodinÃmicos temperatura e pressÃo. Medidas de espalhamento Raman foram realizadas no aminoÃcido DL-metionina (C5H11NO2S) na forma à temperatura ambiente na regiÃo espectral entre 40 e 3200 cm-1. Posteriormente foram computados os modos vibracionais e os nÃmeros de onda da molÃcula isolada da DL-metionina na forma (C5H11NO2S) atravÃs de cÃlculos de teoria do funcional de densidade (DFT), implementando o funcional de troca e correlaÃÃo B3LYP e a funÃÃo de base 6-31 G(d,p) com o auxÃlio do programa Gaussian 03. Os cÃlculos computacionais reproduziram as caracterÃsticas do material em boa concordÃncia com o espectro experimental. Com base neste acordo, foi possÃvel associar os nÃmeros de onda observados aos deslocamentos atÃmicos nas molÃculas. Ainda para a molÃcula de DL-metionina foram realizados cÃlculos de distribuiÃÃo de energia potencial PED, o que possibilitou classificar os modos normais de vibraÃÃo com maior precisÃo e confrontar com as que foram reportadas na literatura. Foram realizadas medidas de espalhamento Raman no cristal de DL-metionina na regiÃo espectral entre 50 cm-1 e 3200 cm-1 desde a temperatura ambiente atà a temperatura de 10 K. Nos espectros nÃo foram observadas mudanÃas significativas, apenas reduÃÃo dos efeitos de anarmonicidade que se refletiu na mudanÃa de intensidades e larguras de linha. Nos experimentos de espectroscopia Raman variando a temperatura entre 298 K e 443 K, verificou-se que o cristal de DL-metionina sofreu uma transiÃÃo de fase estrutural em torno de 338 K, as quais foram detectadas no espectro Raman atravÃs das mudanÃas nos picos associados principalmente Ãs vibraÃÃes atribuÃdas ao grupo carboxila (CO2-), e ao grupo anino NH3+, e à ligaÃÃes CS e CSC e grupos CH2 e CH3. A anÃlise dos espectros Raman obtidos apÃs o retorno a temperatura ambiente revelaram que o cristal de DL-metionina recupera a fase inicial. O experimento de anÃlise tÃrmica confirmou a transiÃÃo de fase estrutural sugerida pelos experimentos de espectroscopia Raman a altas temperaturas. Medidas de espalhamento Raman em funÃÃo da pressÃo hidrostÃtica foram realizadas no cristal de DL-metionina. Os experimentos foram feitos no intervalo espectral entre 50 cm-1 e 1200 cm-1 comprimindo a amostra desde a pressÃo atmosfÃrica atà a pressÃo de 5,1 GPa e em seguida descomprimindo-a atà a pressÃo atmosfÃrica atravÃs do uso de uma cÃlula de pressÃo a extremos de diamante. MudanÃas observadas nos modos externos e em modos relacionados Ãs vibraÃÃes das unidades CO2 e NH3+ evidenciaram que o cristal sofre uma transiÃÃo de fase estrutural em 1,5 GPa, envolvendo ligaÃÃes de hidrogÃnio. Os resultados obtidos na descompressÃo da amostra mostraram que a transiÃÃo de fase à reversÃvel. / In this work, DL-methionine crystals (C5H11NO2S) are investigated by Raman spectroscopy varying the thermodynamic parameters temperature and pressure. Raman scattering measurements were performed on DL-methionine amino acid (C5H11NO2S) in the form at room temperature in the spectral region between 40 and 3200 cm-1. Subsequently the vibrational modes and wave numbers of the isolated methionine molecule through density functional theory (DFT) calculations were computed by implementing the exchange-correlation functional B3LYP and the basis set of 6-31 G (d, p) with the aid the Gaussian 03. The computational calculations reproduced the characteristics of the material in good agreement with the experimental spectrum. Based on this agreement, it was possible to associate the observed wave numbers with atomic displacements in the molecules. Also for the molecule of DL-methionine calculations distribution of potential energy PED were performed, allowing classifying eigenmodes with greater precision and confront those that have been reported in the literature. Measurements of Raman scattering in the crystal of DL-methionine in the spectral region between 50 cm-1 and 3200 cm-1 were performed from room temperature to the temperature of 10 K. In the spectra, no significant changes were observed, only temperature effects associated with decreasing anharmonicity. In the Raman spectroscopy experiments varying the temperature between 298 K and 443 K, it was found that the crystal of DL-methionine has undergone a structural phase transition at around 338 K, which were detected in the Raman spectra through the changes exhibited by the peaks associated with vibrations mainly attributed to carboxyl (CO2-), NH3+ group, CS and CC bonds and CH2 and CH3 groups. The analysis of the Raman spectra obtained after returning to room temperature revealed the crystal DL-methionine retrieves the beta phase. The experiment of thermal analysis confirms the structural phase transition suggested by Raman spectroscopy experiments at high temperatures. Raman scattering as a function of hydrostatic pressure measurements were done in the DL-methionine crystal. The experiments were performed in the spectral range between 50 cm-1 and 1200 cm-1 compressing the sample from atmospheric pressure up to the pressure of 5.1 GPa and then decompressing it to atmospheric pressure. Changes related to the vibrations of the CO2- and NH3+ units and external modes changes show that the crystal undergoes a structural phase transition at 1.5 GPa involving some of the hydrogen bonds. The results of the decompression show that the phase transition is reversible.

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