No description available.

We describe the rare-earth elements using the Hubbard I approximation. We show that the theory reproduces the cohesive properties, like the volume and bulk modulus, and we find an excellent agreement between theory and experiment for the (inverse) photo emission spectra of the valence band. In addition we reproduce the spin and orbital moments of these elements. This licentiate thesis contains an introduction to the cohesive, magnetic and spectral properties of the rare-earth elements, to density functional theory and to density functional theory in combination with dynamical mean-field theory within the Hubbard I approximation. We also focus on some technical details, e.g. the optimal basis used in the electronic structure code and the role of charge self-consistency in properly describing the valence electrons.

This dissertation describes the advantages and feasibility of newly synthesized near-infrared (NIR) bis-heptamethine cyanine (BHmC) dyes for non-covalent labeling schemes. The NIR BHmCs were synthesized for biomolecule assay. The advantages of NIR BHmCs for biomolecule labeling and the instrumental advantages of the near-infrared region are also demonstrated. Chapter 1 introduces the theory and applications of dye chemistry. For bioanalysis, this chapter presents covalent and non-covalent labeling. The covalent labeling depends on the functionality of amino acids and the non-covalent labeling relies on the binding site of a protein. Due to the complicated binding process in non-covalent labeling, this chapter also discusses the binding equilibria in spectroscopic and chromatographic analyses. Chapter 2 and 3 evaluate the novel BHmCs for non-covalent labeling with human serum albumin (HSA) and report the influence of micro-environment on BHmCs. The interesting character of BHmCs in aqueous solutions is that the dyes exhibit non- or low-fluorescence compared to their monomer counterpart, RK780. It is due to their H-type closed clam-shell form in the solutions. The addition of HSA or organic solvents opens up the clam-shell form and enhances fluorescence. The binding equilibria are also examed. Chapter 4 provides a brief introduction that summaries the use of capillary electrophoresis (CE), and offers a detailed instrumentation that discusses the importance and advantage of a detector in NIR region for CE separation. Chapter 5 focuses on the use of NIR cyanine dyes with capillary electrcophoresis with near-infrared laser induce fluorescence (CE-NIR-LIF) detection. The NIR dyes with different functional groups show that RK780 is a suitable NIR dye for HSA labeling. The use of BHmCs with CE-NIR-LIF reduces signal noises that are commonly caused by the interaction between NIR cyanine dyes and negatively charged capillary wall. In addition, bovine carbonic anhydrase II (BCA II) is applied to study the influence of hydrophobicity on non-covalent labeling. Finally, chapter 6 presents the conformational dependency of BHmCs on the mobility in capillary and evaluates the further possibility of BHmCs for small molecule detection. Acridine orange (AO) is used as a sample and it breaks up the aggregate and enhances fluorescence. The inserted AO into BHmC changes the mobility in capillary, owing to the conformational changes by AO.

Univ., Diss.--Bayreuth, 2005.

Univ., Diss.--Hamburg, 1999.

Zugl.: Darmstadt, Techn. Univ., Diss., 2009

Submitted by Rodrigo Martins Cruz (rodrigo.cruz@ufvjm.edu.br) on 2015-02-19T13:34:45Z No. of bitstreams: 5 fer.pdf: 3531496 bytes, checksum: da51c0e714843d62cd73ad67737d85b2 (MD5) license_url: 52 bytes, checksum: 3d480ae6c91e310daba2020f8787d6f9 (MD5) license_text: 0 bytes, checksum: d41d8cd98f00b204e9800998ecf8427e (MD5) license_rdf: 23898 bytes, checksum: e363e809996cf46ada20da1accfcd9c7 (MD5) license.txt: 2110 bytes, checksum: b4c884761e4c6c296ab2179d378436d4 (MD5) / Approved for entry into archive by Rodrigo Martins Cruz (rodrigo.cruz@ufvjm.edu.br) on 2015-02-20T10:58:08Z (GMT) No. of bitstreams: 5 fer.pdf: 3531496 bytes, checksum: da51c0e714843d62cd73ad67737d85b2 (MD5) license_url: 52 bytes, checksum: 3d480ae6c91e310daba2020f8787d6f9 (MD5) license_text: 0 bytes, checksum: d41d8cd98f00b204e9800998ecf8427e (MD5) license_rdf: 23898 bytes, checksum: e363e809996cf46ada20da1accfcd9c7 (MD5) license.txt: 2110 bytes, checksum: b4c884761e4c6c296ab2179d378436d4 (MD5) / Made available in DSpace on 2015-02-20T10:58:09Z (GMT). No. of bitstreams: 5 fer.pdf: 3531496 bytes, checksum: da51c0e714843d62cd73ad67737d85b2 (MD5) license_url: 52 bytes, checksum: 3d480ae6c91e310daba2020f8787d6f9 (MD5) license_text: 0 bytes, checksum: d41d8cd98f00b204e9800998ecf8427e (MD5) license_rdf: 23898 bytes, checksum: e363e809996cf46ada20da1accfcd9c7 (MD5) license.txt: 2110 bytes, checksum: b4c884761e4c6c296ab2179d378436d4 (MD5) Previous issue date: 2013-02-20 / L-Dopa ? convertida em dopamina no c?rebro e continua a ser a droga mais amplamente prescrita no tratamento da doen?a de Parkinson. Um sens?vel e seletivo sensor foi desenvolvido para a determina??o voltam?trica de L-Dopa em formula??es farmac?uticas usando um Eletrodo de Grafite Pirol?tico de Plano Basal (EGPPB) modificado com cloro(piridil)bis(dimetilglioximato) de cobalto (III) (Co(DMG)2ClPy), um modelo sint?tico da vitamina B12, adsorvido em Nanotubos de Carbono de Paredes M?ltiplas (NCPM), o qual foi denominado EGPPB/NCPM/Co(DMG)2ClPy. Microscopia Eletr?nica de Varredura e Espectroscopia no Infravermelho por Transformada de Fourier foram utilizadas para caracterizar os materiais. A oxida??o de L-Dopa utilizando o EGPPB/NCPM/Co(DMG)2ClPy foi investigada por Voltametria C?clica, Amperometria, Voltametria de Pulso Diferencial e Voltametria de Onda Quadrada. O eletrodo modificado apresentou uma excelente atividade catal?tica para a oxida??o de L-Dopa em 180 mV vs. Ag/AgCl. Os par?metros que influenciam a resposta do eletrodo foram investigados. As condi??es ?timas foram encontradas para o eletrodo modificado com 100 ?mol L-1 de Co(DMG)2ClPy, 2 mg mL-1 de NCPM, em solu??o tamp?o fosfato na concentra??o de 0,2 mol L-1 (pH 7,4). O n?mero de el?trons envolvidos na oxida??o de L-Dopa foi igual a dois. As correntes de pico voltam?tricas apresentaram uma resposta linear para a concentra??o de L-Dopa no intervalo de 3 a 100 ?mol L-1 para n = 12 (R = 0,9992), com sensibilidade, limite de detec??o e limite de quantifica??o iguais a 4,43 ?A cm-2/?mol L-1, 0,86 e 2,87 ?mol L-1, respectivamente. O Desvio Padr?o Relativo para 10 determina??es de solu??o 50 ?mol L-1 de L-Dopa foi de 1,63%. Os resultados obtidos para a determina??o de L-Dopa em formula??es farmac?uticas est?o de acordo com o m?todo de compara??o oficial. Estudos de adi??o e recupera??o do analito foram realizados para avaliar a exatid?o do m?todo e verificou-se que foi poss?vel uma porcentagem de recupera??o entre 99,4 e 101,5% para a L-Dopa. Portanto, o sensor desenvolvido pode ser aplicado com sucesso para a determina??o do referido f?rmaco em medicamentos. / Disserta??o (Mestrado) ? Programa de P?s-Gradua??o em Qu?mica, Universidade Federal dos Vales do Jequitinhonha e Mucuri, 2011. / ABSTRACT L-Dopa is converted to dopamine in the brain and remains the most widely prescribed drug in the treatment of Parkinson's disease. A sensitive and selective method was developed for the voltammetric determination of L-Dopa in pharmaceutical formulations using a Basal Plane Pyrolytic Graphite Electrode (BPPGE) modified with chloro(pyridil)bis(dimethylglyoximato)cobalt(III) (Co(DMG)2ClPy), synthetic model of vitamin B12, absorbed on Multi-walled Carbon Nanotube (MWCNT), denominated MWCNT/Co(DMG)2ClPy/BPPGE. Scanning Electron Microscopy and Fourier Transform Infrared Spectroscopy were used to characterize the materials. The oxidation of L-Dopa using the MWCNT/Co(DMG)2ClPy/BPPGE was investigated by Cyclic Voltammetry, Amperometry, Differential Pulse Voltammetry and Square Wave Voltammetry. The modified electrode showed an excellent catalytic activity for L-Dopa oxidation at 180 mV vs. Ag/AgCl. The parameters that influence on the electrode response were investigated. The optimum conditions were found to the modified electrode with 100 ?mol L-1 Co(DMG)2ClPy, 2 mg mL-1 MWCNT, in 0.2 mol L-1 phosphate buffer solution (pH 7.4). The number of electrons involved in L-Dopa oxidation was two. Voltammetric peak currents showed a linear response for L-Dopa concentration in the range from 3 up to 100 ?mol L-1 for n = 12 (R = 0.9992), with a sensitivity, detection limit and quantification limit of 4.43 ?A cm-2/?mol L-1, 0.86 and 2.87 ?mol L-1, respectively. The Relative Standard Deviation for 10 determinations of 50 ?mol L-1 L-Dopa was 1.63%. The results obtained for L-Dopa determination in pharmaceutical formulations was in accordance with the official method of comparison. Studies of addition and recovery of the analyte were carried out to evaluate the error of the method and was verified a recovery percentage between 99.4 and 101.5% for L-Dopa. Therefore the sensor developed can be applied successfully to the determination of this drug in pharmaceuticals formulations.

Memoria (licenciado en ciencias jurídicas y sociales) / La imposición de un Caudal Ecológico Mínimo (CEM) en el acto administrativo que autoriza el traslado del ejercicio de un derecho de aprovechamiento de Aguas (DAA) es un tema controvertido en instancias administrativas, judiciales y en la literatura doctrinaria de Derecho de Aguas. Sin embargo, no ha sido analizado desde una perspectiva del Derecho Público, lo que puede tener importantes consecuencias, tanto en la limitación de las facultades de la administración sectorial, concerniente al Derecho Administrativo; como en la efectiva protección del recurso natural, concerniente al Derecho Ambiental. El presente ensayo explora el tratamiento sobre el Caudal Ecológico Mínimo que ha hecho la literatura ambiental y sectorial en Chile, así como la aplicación que se le ha dado por la Dirección General de Aguas. En este trabajo argumentamos tres cosas, en primer lugar, que la interpretación amplia del dispositivo que ha hecho la Dirección General de Aguas (DGA) en favor de asignar un CEM a los DAA, ante un traslado de su ejercicio, no se condice con la literalidad del artículo 129 bis 1 del Código de Aguas; en segundo lugar, que siendo acertado el intento de la administración por dejar el tenor literal de la disposición legal por una interpretación que sea coherente con el sistema (maximizando la aplicación del dispositivo en consideración al deber constitucional del organismo, sobre la protección de los recursos naturales y medio ambiente), tal solución falla al contradecir una serie de normas elementales para la disciplina; por este motivo y en tercer lugar, proponemos una interpretación alternativa, que permite mediante la legítima aplicación de las potestades implícitas otorgadas por la propia normativa sectorial y ambiental vigente, arribar a un resultado que haga efectiva la conservación del recurso, sin renunciar a la coherencia dogmática de las instituciones del Derecho de Agua.

No description available.

Made available in DSpace on 2014-12-17T14:27:07Z (GMT). No. of bitstreams: 1 KeityMFS.pdf: 1141287 bytes, checksum: 00c052907580c678aaf9fa34f505b0fd (MD5) Previous issue date: 2003-08-18 / This legal research aims to demonstrate the prohibition in the Brazilian criminal system of a multiple imputation for the same fact in a simultaneous or successive way. For that it is developed a different idea of the subject. Through comparative, eletronic and bibliographical researches, the dissertation was accomplished in a way to establish the content of the foundations of the criminal procedural emphasizing as fundamental premise the values of the Constitution. In the first section it was demonstrated the limits of the theme and the objective of the research. After that, it was analyzed the basic function of the criminal suit which has the important mission of limiting state's punitive power. In the same way, the criminal procedure corresponds to a warranty of the citizens' freedom. In the same section, it is shown how it is possible to abandon the myth of the real truth in the criminal law system. In the third section of the research, there were pointed elements and definitions about the cognition object, specially the litigious object or "thema decidendum", and also the peculiarities of the judged cases. In the fourth section the subject about origins and evolution of the criminal procedure and its objectives in the legal system is developed to demonstrate its perspectives. Some aspects of the identity's concept of the presupposition of the facts are as well demonstrated in order to relate the theme to the prohibition of multiple imputation. There are also considerations about some other important aspects as the incidence of the legal rules and the possible change on the elements of the penal type. There are several comments about legal procedural in other legal systems comparing them to Brazilian's most elevated Courts. In the end it was systematized the limits to criminal imputation, emphasizing the defende's right as a foundation of the legal system. Is was registered that the ius persequendi can be exercised once / A presente disserta??o tem por objeto o estudo da proibi??o da m?ltipla persecu??o penal, pelo mesmo fato, seja de forma simult?nea ou sucessiva. Para tanto, atrav?s do m?todo dial?tico, foram realizadas pesquisas com o objetivo de estabelecer o conte?do do princ?pio ne bis in idem, em sua vertente processual penal, sempre tendo como premissa fundamental os valores albergados nos princ?pios e regras constitucionais. Assentados, no in?cio da primeira se??o do trabalho, a delimita??o do tema e o objetivo da pesquisa, analisou-se, em seguida, a fun??o basilar do processo penal, o qual, numa vis?o garantista, tem a relevante miss?o de limitar frear - a f?ria do poder punitivo estatal, correspondendo a um efetivo instrumento de garantia da liberdade dos cidad?os, quando subjugados ao ius persequendi. Nessa mesma se??o, restaram destacadas a consagra??o do modelo acusat?rio de processo pela Constitui??o Brasileira de 1988 e a necessidade de abandonar o mito da verdade real, como princ?pio informador do processo penal constitucional. Na segunda se??o da pesquisa, foram apontados os elementos definidores do objeto de cogni??o, especialmente do objeto litigioso ou thema decidendum, havendo, tamb?m, sido abordadas as peculiaridades do instituto da coisa julgada no processo penal. Dando continuidade ? pesquisa, na terceira se??o, discorreu-se sobre a origem e evolu??o do princ?pio ne bis in idem, centrando-se no tema da pesquisa, qual seja, sua manifesta??o no processo penal e a interpreta??o que se deve atribuir aos termos que comp?em sua express?o: rela??o processual com unidade de sujeito e de fato, atrav?s de senten?a definitiva. Deu-se ?nfase, sobretudo, aos aspectos controvertidos do conceito de identidade do fato como pressuposto da proibi??o de m?ltipla persecu??o, abordando-se, dentre outros aspectos, a incid?ncia de concurso aparente de normas e a altera??o dos elementos do tipo penal. Constam, ainda, dessa se??o, lineamentos gerais acerca da aplica??o do princ?pio ne bis in idem processual no direito comparado e nas cortes brasileiras. Por ?ltimo, sistematizou-se o sentido e alcance do princ?pio ne bis in idem, como limite ? persecu??o penal, al?m de terem sido apresentadas sugest?es, inclusive, de lege ferenda, a fim de que seja efetivamente garantido o direito fundamental assegurado ? defesa, no sentido de que, pelo mesmo substrato f?tico, o ius persequendi somente poder? ser exercido uma vez