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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.
321

Late Transition Metal Complexes Bearing Functionalized N-Heterocyclic Carbenes and the Catalytic Hydrogenation of Polar Double Bonds

O, Wylie Wing Nien 16 August 2013 (has links)
Late transition metal complexes of silver(I), rhodium(I), ruthenium(II), palladium(II) and platinum(II) containing a nitrile-functionalized N-heterocyclic carbene ligand (C-CN) were prepared. The nitrile group on the C–CN ligand was shown to undergo hydrolysis under basic conditions, leading to a silver(I) carbene complex with a primary-amido functional group, and a trimetallic complex of palladium(II) with a partially hydrolyzed C–N–N–C donor ligand. The reduction of a nitrile-functionalized imidazolium salt in the presence of nickel(II) chloride under mild conditions yielded an axially chiral square-planar nickel(II) complex containing a unique primary-amino functionalized N-heterocyclic carbene ligand (C-NH2). A transmetalation reaction moved this chelating C–NH2 ligand from nickel(II) to ruthenium(II), osmium(II), and iridium(III), yielding important catalysts for the hydrogenation of polar double bonds. The ruthenium(II) complex, [Ru(p-cymene)(C–NH2)Cl]PF6 catalyzed the transfer and H2-hydrogenation of ketones. The bifunctional hydride complex, [Ru(p-cymene)(C–NH2)H]PF6, which contains a Ru–H/N–H couple showed no activity under catalytic conditions unless when activated by a base. The outer-sphere mechanism involving bifunctional catalysis of ketone reduction is disfavored according to experimental and theoretical studies and an inner-sphere mechanism is proposed involving the decoordination of the amine donor from the C–NH2 ligand. The ruthenium(II) complex [RuCp*(C–NH2)py]PF6 showed higher activity than the iridium(III) complex [IrCp*(C–NH2)Cl]PF6 in the hydrogenation of ketones. This ruthenium(II) complex also catalyzes the hydrogenation of an aromatic ester, a ketimine, and the hydrogenolysis of styrene oxide. We proposed an alcohol-assisted outer sphere bifunctional mechanism for both systems based on experimental findings and theoretical calculations. The cationic iridium(III) hydride complex, [IrCp*(C–NH2)H]PF6 , was prepared and this failed to react with a ketone in the absence of base. The crucial role of the alkoxide base was demonstrated in the activation of this hydride complex in catalysis. Calculations support the proposal that the base deprotonates the amine group of this hydride complex and triggers the migration of the hydride to the η5-Cp* ring producing a neutral iridium(I) amido complex. This system contains an active Ir–H/N–H couple required for the outer sphere hydrogenation of ketones in the bifunctional mechanism.
322

Strain and Sex Differences in the Hepatotoxicity of 4-Aminobiphenyl in the Mouse

Emami, Arian 31 December 2010 (has links)
Recent studies from our laboratory on the aromatic amine carcinogen, 4-aminobiphenyl (ABP) have shown a significantly lower prevalence of ABP-induced liver tumors in male mice lacking the N-acetyltransferases, and a dramatically lower prevalence in females than in males, but no association of tumor prevalence with strain or sex differences in levels of acute ABP-induced DNA damage. This thesis aimed to investigate the possible involvement of acute cytotoxic effects of ABP in the development of a tumor-promoting inflammatory environment. We found that wild-type male mice showed higher acute hepatotoxicity to ABP, as well as, a possible trend towards higher serum levels of the pro-inflammatory cytokine interleukin 6. This correspondence between acute ABP cytotoxicity and inflammatory response with ultimate tumor growth is consistent with a model whereby ABP not only initiates cells by damaging DNA but also promotes tumor growth in a gender-selective fashion that may be governed by gonadal hormone influences.
323

Adsorption of Alkaline Copper Quat Components in Wood-mechanisms and Influencing Factors

Lee, Myung Jae 31 August 2011 (has links)
Mechanisms of adsorption of alkaline copper quat (ACQ) components in wood were investigated with emphasis on: copper chemisorption, copper physisorption, and quat adsorption. Various factors were investigated that could affect the adsorption of individual ACQ components in red pine wood. Copper chemisorption in wood was affected by ligand types coordinating with Cu and the stability of the Cu-ligand complexes in solution. For Cu-monoethanolamine (Cu-Mea) system, the prevailing active solvent species at the solution pH, [Cu(Mea)2-H]+ complexes with wood acid sites and loses one Mea molecule through a ligand exchange reaction. The amount of adsorbed Cu was closely related to the cation exchange capacity of wood. An increase in Mea/Cu ratio increased the proportion of the uncharged Cu-Mea complex and resulted in decreased Cu chemisorption in wood. Copper precipitation is also an important Cu fixation mechanisms of Cu-amine treated wood. X-ray diffraction analysis revealed that in vitro precipitated Cu was a mixture of copper carbonates (azurite and malachite) and possibly Cu2O. Higher concentration Cu-amine solutions retarded the Cu precipitation to a lower pH because of higher free amine in the preservative-wood system. The changes in zeta potential of wood in relationship to the quaternary ammonium (alkyldimethylbenzylammonium chloride: ADBAC) adsorption isotherm showed two different adsorption mechanisms for quat in wood: ion exchange reaction at low concentration and additional aggregation form of adsorption by hydrophobic interaction at high concentration. Because of the aggregation effect, when wood was treated with ACQ, high amounts of ADBAC were concentrated near the surface creating a steep gradient with depth. This aggregated ADBAC was easily leached out while the ion exchanged ADBAC had high leaching resistance. Free Mea and Cu of ACQ components appeared to compete with ADBAC for the same bonding sites in wood.
324

Influence of Alkaline Copper Quat (ACQ) Solution Parameters on Copper Complex Distribution and Leaching

Pankras Mettlemary, Sedric 31 August 2011 (has links)
The effects of ACQ solution parameters such as copper to quat ratio, pH and copper to ligand ratio on distribution of copper complexes in solution and insoluble precipitates, and on fixation and leaching of copper in treated wood were evaluated. The distribution of ionic complexes, predicted by equilibrium speciation model (MINTEQA2), was related to laboratory fixation and leaching results at controlled ACQ solution parameters. A decrease in the relative proportion of copper in the ACQ formulation from a copper oxide (CuO) to didecyldimethylammonium carbonate (DDACb) ratio of 2:1 to 1:1 and 1:2 resulted in lower copper retention in the treated samples and substantially decreased the amount of copper leached per unit area. For monoethanolamine (Mea) based ACQ, solution parameters which favour a higher proportion of monovalent cationic complex, which consume one reactive site in wood, and the presence of insoluble carbonate precipitate of copper in wood during preservative treatment resulted in higher leach resistance compared to the neutral copper complex present at higher pH. Ammonia (NH3) based ACQ can fix more copper at high pH as there is no chelated neutral complex as in Mea based ACQ; however divalent copper-NH3 complexes may consume two sites to fix in wood. Addition of NH3 in Mea based ACQ at Cu:Mea:NH3 ratio of 1:4:6 at pH 10.6 significantly reduced copper leaching compared to 1:4:0 (without ammonia) at pH 9 due to increased divalent copper-ammonia complexes and decreased neutral copper amine complex at elevated pH. Ammonia addition with a lower proportion of Mea (1:2.5:4 at pH 10.5-10.7), significantly reduced copper leaching compared to 1:4:0 at pH 9; no reduction was observed for ammonia addition in ACQ with a higher proportion of Mea (1:4:4 at pH 10.45). The lower copper leaching from 1:2.5:4 resulted from the higher amount of divalent copper-NH3 complexes at higher pH without compromising the amount of copper precipitated at lower pH. The higher percent copper leached from tetramethylethylenediamine (Tmed) based ACQ compared to Mea and NH3 based ACQ suggested that highly stable complexes tend to stay in solution and do not result in leach resistant copper in the wood.
325

Synthesis of Amine-Modified Aerogel Sorbents and Metal-Organic Framework-5 (MOF-5) Membranes for Carbon Dioxide Separation

January 2010 (has links)
abstract: Amine-modified solid sorbents and membrane separation are promising technologies for separation and capture of carbon dioxide (CO2) from combustion flue gas. Amine absorption processes are mature, but still have room for improvement. This work focused on the synthesis of amine-modified aerogels and metal-organic framework-5 (MOF-5) membranes for CO2 separation. A series of solid sorbents were synthesized by functionalizing amines on the surface of silica aerogels. This was done by three coating methods: physical adsorption, magnetically assisted impact coating (MAIC) and atomic layer deposition (ALD). CO2 adsorption capacity of the sorbents was measured at room temperature in a Cahn microbalance. The sorbents synthesized by physical adsorption show the largest CO2 adsorption capacity (1.43-1.63 mmol CO2/g). An additional sorbent synthesized by ALD on hydrophilic aerogels at atmospheric pressures shows an adsorption capacity of 1.23 mmol CO2/g. Studies on one amine-modified sorbent show that the powder is of agglomerate bubbling fluidization (ABF) type. The powder is difficult to fluidize and has limited bed expansion. The ultimate goal is to configure the amine-modified sorbents in a micro-jet assisted gas fluidized bed to conduct adsorption studies. MOF-5 membranes were synthesized on α-alumina supports by two methods: in situ synthesis and secondary growth synthesis. Characterization by scanning electron microscope (SEM) imaging and X-ray diffraction (XRD) show that the membranes prepared by both methods have a thickness of 14-16 μm, and a MOF-5 crystal size of 15-25 μm with no apparent orientation. Single gas permeation results indicate that the gas transport through both membranes is determined by a combination of Knudsen diffusion and viscous flow. The contribution of viscous flow indicates that the membranes have defects. / Dissertation/Thesis / M.S. Chemical Engineering 2010
326

Aplicação de sílica organicamente modificada em sistema de extração em fase sólida de íons Cu(II), Cd(II) e Pb(II) em meio aquoso

Ferreira, Guilherme [UNESP] 27 November 2009 (has links) (PDF)
Made available in DSpace on 2014-06-11T19:25:32Z (GMT). No. of bitstreams: 0 Previous issue date: 2009-11-27Bitstream added on 2014-06-13T20:53:34Z : No. of bitstreams: 1 ferreira_g_me_ilha.pdf: 556704 bytes, checksum: 2b9e9fd5741fa5b94b2deae1235c03eb (MD5) / Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) / Nas ultimas décadas, muitos dos trabalhos científicos estão relacionados à qualidade das águas naturais, como por exemplo, na identificação e quantificação de contaminantes orgânicos e inorgânicos. Dentre as espécies inorgânicas os metais potencialmente tóxicos são os mais estudados e, devido à baixa concentração em que algumas espécies são encontradas no ambiente, torna-se necessário a utilização de equipamentos sofisticados para sua quantificação segura. O uso de materiais como sílicas organofuncionalizadas para aplicação em extração em fase sólida (SPE) possibilita a pré-concentração desses íons e garante uma quantificação com maior segurança mesmo em equipamentos mais simples como espectrômetros de absorção atômica com atomização por chama. Neste contexto, o presente trabalho consistiu na síntese da sílica pelo método sol-gel, sua organofuncionalização com o ligante 4-amino-2-mercaptopirimidina (AMP), caracterização e aplicação do material na extração de íons Cu(II), Cd(II) e Pb(II) em meio aquoso. Os espectros de FTIR evidenciaram o ancoramento do ligante na sílica com a identificação de bandas em 1582 e 1541 cm-1 referente aos grupos NH e 3347 cm-1 referente aos grupos NH2 presentes na molécula do ligante. O ancoramento do ligante resultou no decréscimo das medidas de área superficial de 737 m2 g-1 para 399 m2.g-1, o qual esta relacionado a obstrução dos poros pelo ancoramento das moléculas orgânicas. Os espectros de RMN de 13C e 29Si confirmaram a presença ligações covalentemente entre a superfície da sílica e o grupo orgânico. Com os dados da análise elementar estimou-se uma quantidade de 3,619 10-4 mols do ligante por grama de SG-AMP. O sistema de pré-concentração foi otimizado utilizando o método univariado e os valores para a vazão da amostra e do eluente... / In the last decades, many scientific works are related to the quality of natural waters, such as the identification and quantification of organic and inorganic contaminants. Among the inorganic species potentially toxic metals are the most studied and, because of the low concentration of some species are found in the environment, it becomes necessary to use sophisticated equipment to secure its quantification. The use of materials such as silica organofuncionalized for application in solid phase extraction (SPE) allows preconcentration of these ions and provides quantification more safely even in the simplest equipment as atomic absorption spectrometers in flame module. In this context, this work was the synthesis of silica by sol-gel method, its organofuncionalization with the ligand 4-amine-2- mercaptopyrimidine (AMP), characterization and application of the material in the extraction of Cu (II), Cd (II ) and Pb (II) in aqueous means. The material was analyzed by FTIR showed the anchoring of the ligand on the silica by the identification of bands in 1582 and 1541 cm-1 on the NH groups and 3347 cm-1 on the NH2 groups present in the ligand molecule. The anchoring of the ligand resulted in the decrease of the measures of surface area of 737 m2 g-1 for 399 m2.g-1, which is related to clogged pores by anchoring of organic molecules. The NMR spectra of 13C and 29Si confirmed the presence of covalent bonds between the surface of silica and organic group. The data from elemental analysis to estimate an amount of 3.619 x 10-4 moles of ligand per gram of SG-AMP. The system of pre-concentration was optimized using the univariate method and the values for the flow of sample and eluent were set at 1.0 mL min-1, pH 5 to sample and nitric acid 2 mol L-1 as the eluent. The silica produced had a maximum adsorption of 0.0027, 0.0028 and 0.0018 mmol g-1 Cu (II), Cd (II) and Pb (II), respectively.
327

Purificação de anticorpos monoclonais utilizando IMAC em membranas de fibra oca de PEVA : c : omparação dos agentes quelantes IDA, CM-Asp e TREN / Purification on monoclonal antibodies using IMAC in PEVA hollow fiber membranes: comparison of chelating agents IDA, CM-Asp and TREN

Bresolin, Igor Tadeu Lazzarotto 07 November 2006 (has links)
Orientador: Sonia Maria Alves Bueno / Dissertação (mestrado) - Universidade Estadual de Campinas, Faculdade de Engenharia Quimica / Made available in DSpace on 2018-08-06T20:08:56Z (GMT). No. of bitstreams: 1 Bresolin_IgorTadeuLazzarotto_M.pdf: 4686617 bytes, checksum: ed7a688421b5d854024279523878c12a (MD5) Previous issue date: 2006 / Resumo: Anticorpos monoclonais são imunoglobulinas secretadas por clones de linfócitos B, normais, tumorais ou obtidos pela tecnologia de hibridomas. Os anticorpos monoclonais têm sido utilizados nas áreas analítica e terapêutica, o que implica na necessidade de sua obtenção com pureza superior a 95%. Muitos estudos têm sido realizados visando à purificação de anticorpos monoclonais, destacando-se as técnicas de adsorção seletiva, como as cromatografias de troca iônica, hidrofóbica e de afinidade. Neste trabalho aplicou-se a cromatografia de afinidade em membranas de álcool polietileno-vinílico (PEVA), comparando o desempenho dos agentes quelantes (AQ) ácido iminodiacético (IDA), ácido aspártico carboximetilado (CM-Asp) e tris-2(aminoetil)amina (TREN) com íons metálicos imobilizados na purificação de anticorpos monoclonais anti-TNP, isotipo IgG1 a partir de sobrenadante de cultura celular precipitado e dialisado. Para determinar as melhores condições de adsorção e eluição na presença de diferentes sistemas tamponantes, foram testados os quelatos AQ-Ni2+, AQ-Zn2+ e AQ-Co2+, bem como os agentes quelantes sem metal imobilizado como grupos ionogênicos. De acordo com eletroforeses SDS-PAGE e análises ELlSA das frações dos picos de proteína obtidos, as melhores condições utilizadas para a purificação foi o uso de membranas PEVA-IDA-sem metal e PEVA-CM-Asp-Zn2+, em presença de tampão Tris-HCI 50 mM a pH 7,0 e eluição por aumento de concentração de Tris, atingindo fatores de purificação de 138,9 e 103,8 e pureza de 92,3% e 68,1%, respectivamente. A partir das isotermas de adsorção, determinou-se a capacidade máxima de adsorção e a constante de dissociação dos complexos IDA-lgG1 e CM-Asp-Zn2+ -lgG1 que, de acordo com o ajuste dos parâmetros pelo modelo de Langmuir, mostraram alta capacidade de adsorção e constantes de dissociação características de sistemas de afinidade média. Com o módulo de fibras ocas, construído em nosso laboratório, determinaram-se as curvas de ruptura por meio de experimentos de filtração para os processos propostos, e os resultados obtidos demonstraram que os sistemas de fibras ocas PEVA-IDA e PEVA-GM-Asp-Zn2+ são factíveis para a purificação de anticorpos monoclonais do isotipo IgG1 / Abstract: Monoclonal antibodies are immunoglobulins produced by normal, tumoral or hybrids Iymphocytes 8 obtained by hibridoma technology. Hybridomas are resulted from the fusion of Iymphocytes B with malignant myeloma cells which express both the Iymphocyte's property of specific-antibody production and the immortal characteristic of the myeloma cells. Monoclonal antibodies have been used in analytic and therapeutic areas. This application needs highly pure antibodies. Many techniques have been studied focusing monoclonal antibodies purification. These techniques include ion exchange, hydrophobic and affinity chromatography. In this study, we applied polyethylenevinyl alcohol (PEVA) membranes in the purification of monoclonal antibody from cel! culture supematant comparing the chelating agents Iminodiacetic Acid (IDA), Carboxy-methyl Aspartic Acid (CM-Asp) and Tris-2(aminoethyl)amine) (TREN) with different immobilized metal ios, Ni2+, Zn2+ and C02+, and with different buffers. We also evaluated the adsorption and purification of monoclonal antibodies using the chelating agents as ionogenic groups. According to SDS-PAGE electrophoresis and ELlSA analysis, the higher selectivity was obtained in the presence of 50 mM Tris-HCI buffer, pH 7,0 and with elution by increasing Tris concentration, with CM-Asp-Zn2+ and IDA as ionogenic group, which provided the purification of IgG with traces of albumin, reaching purification factors of 138.9 and 103.8 and purities of 92.3% and 68.1, respectively. The adsorbent capacity and the dissociation constant of the complexes IDA-lgG1 e CM-Asp-Zn2+ -lgG1 were determinate from adsorption isotherms. According to Langmuir model, the results indicated that the matrix presents high adsorption capacity and a dissociation constant characteristic for intermediate affinity systems. We also evaluated the breaktrough curves for the proposed processes. These breaktrough curves are important to scale up procedure / Mestrado / Desenvolvimento de Processos Biotecnologicos / Mestre em Engenharia Química
328

S?ntese de naftoimidaz?is derivados de ?-lapachona com potenciais atividades biol?gicas / Synthesis of ?-lapachone-derived naphthoimidazoles with potential biological activities

Silva, Leonardo Araujo 14 April 2016 (has links)
Submitted by Celso Magalhaes (celsomagalhaes@ufrrj.br) on 2017-05-31T14:03:10Z No. of bitstreams: 1 2016 - Leonardo Araujo Silva.pdf: 2217295 bytes, checksum: 97879d8a70bf2c097bd503252a894d7f (MD5) / Made available in DSpace on 2017-05-31T14:03:10Z (GMT). No. of bitstreams: 1 2016 - Leonardo Araujo Silva.pdf: 2217295 bytes, checksum: 97879d8a70bf2c097bd503252a894d7f (MD5) Previous issue date: 2016-04-14 / Coordena??o de Aperfei?oamento de Pessoal de N?vel Superior - CAPES / The imidazole nucleus is present in the structures of many substances with pharmacological activities for different purposes. 6,6-Dimethyl-3,4,5,6-tetrahydrobenzo[7,8]-chromeno[5,6-d]imidazole (BLI-H) is a naftoimidazole obtained from ?-lapachone - a naphthoquinone found in species of the bignoniaceae family, and which can also be obtained synthetically. The interest in studies with this naftoimidazole refers to synthetic possibilities for the imidazole ring of this molecule unsubstituted at positions 1,2 and 3, capable of undergoing nucleophilic substitution reactions with aliphatic and / or aromatic electrophiles. Furthermore, this which is the simplest naftoimidazole which can be obtained from ?-lapachone, has shown antitripanosomal activity, although not as significant as some aryl-substituted ?-lapachone derived naphthoimidazoles. This work reports the preparation of a series of compounds obtained by alkylation of BLI-H and the significant inhibitory activity on the growth of methicillin-resistant Staphylococcus aureus, Cryptococcus neoformans, Escherischia colii, Candida albicans, as well as Trypanosoma cruzi, achieved with these compounds. In addition to the products of alkylations, the search for derivatives with different substituents at carbon 2, led to the synthesis of two new ?-lapachone-derived naphthoimidazoles with acyl, amine and bromine groups respectively, in that carbon / N?cleos imidaz?licos est?o presentes nas estruturas de muitas subst?ncias com atividades farmacol?gicas, para diferentes finalidades. O 6,6-dimetil-3,4,5,6-tetra-hidrobenzo-[7,8]cromeno[5,6-d]imidazol (BLI-H) ? um naftoimidazol obtido a partir da ?-lapachona ? uma naftoquinona encontrada em esp?cies da fam?lia das bignoni?ceas e que tamb?m pode ser obtida sinteticamente.1 O interesse nos estudos com este naftoimidazol se refere ?s possibilidades sint?ticas para o n?cleo imidaz?lico desta mol?cula, n?o substitu?do nas posi??es 1, 2 e 3, capaz de sofrer rea??es de substitui??es nucleof?lica alif?tica e/ou eletrof?lica arom?tica. Al?m disso, este, que ? o naftoimidazol mais simples que pode ser obtido a partir da ?-lapachona, j? demonstrou seu potencial na atividade antitripanoss?mica, embora n?o t?o expressiva quanto as de outros naftoimidaz?is, substitu?dos, derivados de ?-lapachona. Este trabalho relata a prepara??o de uma s?rie de compostos obtidos por alquila??o de BLI-H e a atividade inibit?ria significativa destes compostos sobre o crescimento de Staphylococcus aureus resistente ? meticilina, Escherischia colii, Cryptococcus neoformans, Candida albicans, assim como Trypasoma cruzi. Al?m dos produtos das N-alquila??es, a busca por derivados com diferentes substituintes no carbono 2, levou ? s?ntese de tr?s novos naftoimidaz?is com grupos acila, bromo e amina, respectivamente, neste carbono
329

ESTUDO DO CONTROLE DE H2S (SULFETO DE HIDROGÊNIO) E CO2 (DIÓXIDO DE CARBONO) EM UMA PLANTA DE PRODUÇÃO DE ÓLEO E GÁS NA CAMADA PRÉ-SAL / STUDY OF CONTROL OF H2S (HYDROGEN SULPHIDE) AND CO2 (CARBON DIOXIDE) IN A PLANT FOR OIL AND GAS PRODUCTION IN PRE-SALT LAYER

Guedes, Marcus 21 December 2012 (has links)
The offshore industry is full ascension in Brazil, driven by the discovery of light oil and rich gas abundant in the pre-salt layer. The explored natural gas in the pre-salt layer has superior calorific components, however it has H2S and CO2 (considered acid components) dissolved in its composition. The removal of such components is necessary still in the production field, seeking to fit the gas in the effective specifications for ANP - National Agency of the Petroleum. Nowadays the most used method to remove acid components from the extracted gas of the pre-salt layer is through amine plants. With that comes the need to know the process and to operate it in the most efficient possible way, treating the same amount of gas with the minimum cost. The need for research arises from the difficulty from FPSO Capixaba s operation part to maintain the specifications of the manufacturer s project (VME Process), as the concentration of the amine solvent, amount of treated fresh water and new amine daily added inside the system. To maintain the established project levels it was necessary superior addition both of solvent amine as treated fresh water, showing a removal of H2S and CO2 sometimes satisfactory sometimes not. So, the aim of this investigation was to propose the best possible point of operation for the amine plant in operation in FPSO Capixaba through a study case, between May of 2010 to June of 2012 and was built scatter plots based on historical data to find the ideal concentration that the system operates with the best efficiency on H2S and CO2 removal, using minimum daily addition of amine and treated fresh water. The results were confronted with specifying it in projects and applied, resulting in an economy in order 75,8% amine and 76% of treated fresh water monthly, maintaining the treated gas in the system between of the specifications and effective standards in Brazil. A statistic technique of multiple regressions was built for the study of relationship between the water/amine concentration and of H2S and CO2. It was obtained a total of samples of 245 days for amine concentration (classified as dependent variable) and an equation that esteemed it relationship was built with CO2 and H2S concentration (considered independent variables). The results obtained in the model indicate a good relationship in the estimators studied (R2(adjusted) = 0,8051) and a standard error of 0,029. / A indústria offshore encontra-se em plena ascensão no Brasil, impulsionada pela descoberta de óleo leve e gás rico, abundantes na camada pré-sal. O gás natural explorado na camada pré-sal possui componentes caloríficos superiores, porém possui H2S e CO2 (considerados componentes ácidos) dissolvido em sua composição. A remoção de tais componentes se faz necessária ainda no campo de produção, visando enquadrar o gás nas especificações vigentes pela ANP Agência Nacional do Petróleo. Atualmente o método mais utilizado na remoção de componentes ácidos no gás extraído da camada pré-sal é através de plantas de amina. Com isso surge a necessidade em conhecer o processo e operá-lo da maneira mais eficiente possível, tratando a mesma quantidade de gás com o menor custo. A necessidade da pesquisa surge da dificuldade por parte da operação do FPSO Capixaba para manter as especificações de projeto do fabricante (VME Process), quanto à concentração da amina solvente, quantidade de água tratada e amina nova inserida diariamente no sistema. Para manter os níveis estabelecidos em projeto se fazia necessário à adição muito superior tanto de amina solvente quanto de água tratada, apresentando uma remoção de H2S e CO2 horas satisfatória horas não. Assim o objetivo desta investigação foi propor o ponto de operação melhor possível para a planta de amina em operação no FPSO Capixaba através de um estudo de caso, tendo como base o período de Maio de 2010 até Junho de 2012 e, para isso utilizouse a construção de gráficos de dispersão baseado em dados históricos para encontrar a concentração ideal em que o sistema opera com a melhor eficiência com relação a remoção de H2S e CO2, menor adição de amina e água tratada diariamente. Os resultados foram confrontados com o especificando em projetos e aplicados no processo, resultando em uma economia na ordem 75,8% amina e 76% de água tratada mensalmente, mantendo o gás tratado no sistema dentro das especificações e normas vigentes no Brasil. Foi construído um modelo de regressão múltipla para estudo da relação entre a concentração de água/amina e a concentração de H2S e CO2. Obteve-se um total de amostras de 245 dias para concentração de amina (classificada como variável dependente) e buscou-se uma equação que estimasse a sua relação com a concentração de CO2 e H2S (consideradas variáveis independentes). Os resultados obtidos no modelo indicam uma boa relação nos estimadores estudados (R2(ajustado)= 0,8051) e um erro padrão de 0,029.
330

Design and synthesis of polycyclic amine derivatives for sigma receptor activity

Strydom, Natasha January 2013 (has links)
>Magister Scientiae - MSc / New therapeutic strategies are needed for a diverse array of poorly understood neurological impairments. These include neurodegenerative disorders such as Parkinson’s disease and Alzheimer’s disease, and the psychiatric disorders such as depression, anxiety and drug dependence. Popular neuropharmacotherapies have focused on dopamine (DA), serotonin (5HT), γ-aminobutric acid (GABA) and glutamate systems (Jupp & Lawrence, 2010). However recent research points to the sigma receptor (σR) as a possible neuromodulatory system. Due to its multi-receptor action, the σR can trigger several significant biological pathways. This indicates its ideal potential as a drug target to effectively minimise drug dosage and potential side effects. Currently there are a limited number of σR ligands available and few possess the selectivity to significantly show σR’s role in neurological processes. Polycyclic amines have shown notable sigma activity and provide an advantageous scaffold for drug design that can improve pharmacodynamic and pharmacokinetic properties (Banister et al., 2010; Geldenhuys et al., 2005). Aryl-heterocycle amine groups were also shown to improve σR activity (Piergentili et al., 2009).

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