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Exploratory Analysis of Isoelectric Point Prediction with Simple Feature Encoding / En explorativ analys av algoritmer för beräkning av peptiders isoelektriska punkter med enkel enkodering av molekylära komponenterSöderhielm, Henrik January 2022 (has links)
Proteomics is the large scale study of proteins in biological systems such as those found in human cells. The understanding of proteomes, i.e. the complete set of proteins expressed by an organism, has especially useful applications in the medical field such as genetic research and drug discovery. Cells that undergo biochemical processes affect the state of the contained proteins, therefore producing an abundance of physical variations and permutations of single proteins. The main goal of proteomic studies is to identify the proteins related to such processes in order to study their purpose and function. Successful reduction of the so-called "search space" in which proteins are identified, is a large determining factor in the resulting number of correct protein identifications. Fractionation processes attempt to reduce this search space through electrophoretic experiments such as IEF in order to identify individual protein properties such as the isoelectric point. Protein sample preparation relies heavily on isoelectric point values, denoted $p$I, and hence accurate theoretical prediction of these values would provide a benchmark to aid in analytical processes such as LC-MS. This dissertation explores the efficacy of using simple feature encoding to improve upon conventional theoretical $p$I predictions, based on the Henderson-Hasselbalch equation, in order to more accurately reflect experimental values. Simple feature encoding was used for two different optimisation techniques. Encoding chargeable amino acid residues in peptide sequences into various $k$-mer combinations produced a considerable improvement in predicted $p$I values compared to prediction solely based on reference $p$K$_a$ values. The approaches taken in this project highlighted, arguably at a fundamental level, the useful nature of peptide feature encoding to improve theoretical $p$I predictions. However, future research endeavours should consider extending the models discussed using more developed and complex modelling techniques for peptide sequences and more importantly, $p$K$_a$ constants. / Proteomik är en gren av biologin som omfattar den storskaliga forskning av proteiner i biologiska system som till exempel de som befinner sig i mänskliga celler. Proteomet utgörs av samtliga former av proteinmolekyler som uttrycks av genomet av en organism. Förståelsen av proteomet har brukbar användning inom medicinsk forskning såsom genetik- och läkemedelsforskning. Celler som genomgår biokemiska processer påverkar molekylernas tillstånd och struktur som i sin följd producerar en mångfald av permutationer och variationer av enskilda proteiner. Målet med proteomiska studier är att identifiera olika proteiner och relatera dessa till biologiska processer för att förstå deras funktion och syfte. Minskning av den så kallade sökrymden för proteiner avgör till stor del antalet korrekta identiferingar som tas fram. Sökrymden kan minskas med hjälp av fraktioneringsprocesser som använder sig av elektroforetiska metoder för att preparera proteinprover inför analys. Sådana processer som exempelvis Isoelektrisk Fokusering (IEF) fysiskt separerar proteinmolekylerna för att identifiera egenskaper som deras Isoelektriska Punktvärde (pI). Preparation av proteinprov förlitar sig till stor del på precisionen av teoretiskt beräknade pI värden. Det är därmed önskvärt att kunna beräkna pI värden som motsvarar observerade resultat från fraktioneringsprocesser. Förbättring av de teoretiskt beräknade pI värden gör det möjligt att förenkla analytiska processer som LC-MS. Det här projektet undersöker effektiviteten av enkodering av peptidattribut för att förbättra de beräknade pI värden jämfört med de konventionella beräkningarna baserat på Henderson-Hasselbalch ekvationen och pKa referensvärden. Enkodering av peptidattribut användes i samband med två olika optimeringsmodeller. Aminosyrorna från peptidsekvenserna separerades och enkoderas till olika k-mer undersekvenser som användes för anpassning av pKa referensvärden. Optimering av pKa referensvärden skapade en avsevärd förbättring i de beräknade pI värden jämfört med estimering enbart baserat på pKa referensvärden. De valda tillvägagångssätten visade att enkodering av peptidernas beståndsdelar markant förbättrar de beräknade pI värden på en grundläggande nivå. Framtida projekt borde överväga utbyggnaden av de diskuterade modellerna för att kunna fånga mer attribut från peptidsekvenserna för anpassning av pKa referensvärden och därmed förbättra beräkningen av pI värden.
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Test and Calibration of CUBES: a CubeSat X-ray Detector / Test och Kalibrering av CUBES: en CubeSat RöntgendetektorHolmberg, Caroline January 2022 (has links)
CUBES is an X-ray detector that will be placed aboard the KTH 3U CubeSat mission, MIST. Its purpose is to detect high energy X-rays as well as to test various components in a space environment. Two CUBES will be placed on the satellite. Each CUBES consists of a printed circuit board (PCB) with three multi pixel photon counters (MPPCs). On top of these, three Germanium Aluminium Gadolinium Garnet (GAGG) scintillators are glued. These GAGG scintillators are of the dimension 1X1X1 cm^3 and are covered with PTFE tape and an opaque potting compound to prevent photons from leaving the scintillator. The MPPCs consists of a large amount of semi conductors operated in Geiger mode. The data is processed by an application specific integrated circuit (ASIC). In order to prepare the CUBES instrument for satellite flight, energy and thermal characterisation have been performed. The energy range was determined to be 40-1200 keV. The detector system shows linear behaviour and operates stably in a temperature range of -20 °C to +30 °C. The preparation of the boards and test results are presented in this thesis. / CUBES är en röntgendetektor som kommer att placeras ombord på KTH 3U CubeSat satelliten MIST. Uppdraget är att undersöka högenergetisk röntgenstrålning samt att testa komponenternas robusthet i rymden. Två CUBES kommer att placeras ombord på satelliten. CUBES detektorn består av ett kretskort med 3 MPPC (multi pixel photon counters). Ovanpå dessa är tre Germanium Aluminium Gadolinium Garnet (GAGG) scintillatorer limmade. Dessa GAGG scintillatorer har dimensionerna 1X1X1 cm^3, är täckta med PTFE band och är inneslutna i ett opakt gummi ämne för att förhindra att fotoner lämnar detektorn. MPPC består av en stor mängd halvledare som drivs i Geiger läge. Den producerade datan kommer att behandlas av en applikations specifik integrerad krets (ASIC). Inför CUBES detektorns uppdrag i rymden utfördes energi och värmetest. Det tillgängliga energiintervallet uppmättes till 40-1200 keV. Detektorn uppvisar ett linjärt energiförhållande och ger ett stabilt resultat i temperaturintervallet -20 °C till +30 °C. Resultaten av mätningarna samt förberedandet av CUBES detektorerna presenteras i denna avhandling.
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Three-dimensional device structures for photovoltaic applicationsUrban, H. January 2013 (has links)
Harnessing solar energy has become a promising clean and renewable energy source alternative to fossil fuels since the development of low-cost dye sensitized solar cells (DSSC) and organic photovoltaic solar cell devices. Their power-conversion efficiencies, below 13% and 9% respectively, still limit the economic viability of these technologies. The geometry and optical properties of photonic crystals can be used to improve the absorption and charge collection efficiencies of these devices. This thesis describes the fabrication of TiO2 DSSC and ZnO-polymer solar cell devices based on a three-dimensional photonic crystal structure. Photonic crystal polymer structures were produced by holographic lithography and thermally stabilized in order to be used as templates for atomic layer deposition (ALD) of various metal oxides. For this purpose, an ALD apparatus was built and ALD processes for the growth of TiO2, ZnO, Al2O3, ZnO:Al, and Zr3N4 were established and deposited on photonic crystal templates. After ALD, the template was removed by calcination at 500°C, at which ZnO:Al films lost their conductivity of 250 S/cm preventing their use as transparent conducting oxide (TCO) electrodes. The produced 90 nm TiO2 photonic crystal shell DSSC and TiO2 inverse replica devices based on the dye N-719 and iodine/iodide redox electrolyte provided power-conversion efficiencies of 0.9% and 0.49% respectively and their diffusion lengths were 2× and 3× longer than that of a nanocrystalline reference device respectively. ZnO-polymer devices, comprising a P3HT layer as absorber and PEDOT:PSS film as hole-transporter, were also investigated.
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Preparação e caracterização óptica de filmes finos de sílica/orgânico dopados com molibdênio /Scarpa, Elaine Ziviani. January 2018 (has links)
Orientador: Fábio Simões de Vicente / Banca: Alexandre Mesquita / Banca: Carlos Miranda Awano / Resumo: Filmes fotocrômicos dopados com heteropoliânions de molibdênio apresentam interessantes propriedades ópticas e fotocatalíticas com aplicações em inúmeras áreas desde materiais para optoeletrônica até células de combustível e energia. Neste trabalho materiais híbridos de sílica/orgânico dopados com o ácido fosfomolíbdico, H3PMo12O40, (HPMo) foram preparados na forma de filmes finos para estudo das propriedades ópticas e fotossensibilidade por exposição dos filmes finos a radiação ultravioleta. A matriz de sílica/orgânico no estado coloidal foi sintetizada através do processo sol-gel a partir da hidrolise ácida dos alcóxidos de silício 3-glicidoxipropiltrimetoxisilano (GPTS) e tetraetilortosilicato (TEOS). A matriz de sílica/Orgânico foi dopada com HPMo dissolvido em acetonitrila (ACN) e tetrahidrofurano (THF) e um segundo conjunto de amostras dopada com HPMo:THF e HPMo:ACN com a adição de Cloreto de Cobre (CuCl). Filmes finos fotossensíveis foram preparados por deposição das matrizes coloidais de sílica/orgânico dopadas com HPMo:ACN e HPMo:THF (HA e HT) e dopadas com HPMo:ACN:CuCl e HPMo:THF:CuCl (HAC e HTC). Pela técnica de absorção óptica e/ou transmitância na região do UV/VIS foi possível estudar os processos fotossensíveis nestas amostras, como o surgimento de bandas de absorção na região UV-VIS após exposição das amostras a luz UV (fotoescurecimento por redução do Mo+6→ Mo+5) e a velocidade do processo (constantes de tempo) e sua reversibilidade (clareamento, Mo+5→ Mo+6).... (Resumo completo, clicar acesso eletrônico abaixo) / Abstract: Photochromic films doped with molybdenum heteropolyanion present interesting optical and photocatalytic properties with applications in several areas such as optoelectronics, fuel cells and energy. In this work thin films of Silica/organic hybrid materials doped with phosphomolybdic acid H 3 PMo 12 O 40, (HPMo) were prepared for the study of the photosensitivity with exposition to UV light. Colloidal Silica/organic hybrid matrix was synthesized by sol-gel process via acid hydrolysis of 3- glycidoxypropyltrimethoxysilane (GPTS) and tetraethylorthosilicate (TEOS) silicon alkoxides. The colloidal Silica/organic matrix was doped with HPMo dissolved into acetonitrile (ACN) and tetrahydrofuran (THF) and also HPMo in ACN and HPMo in THF with addition of copper chloride (CuCl). Photosensitive thin films were deposited by dip- coating from Silica/organic colloidal matrix doped with HPMo:ACN and HPMo:THF (HA e HT) and also HPMo:ACN:CuCl e HPMo:THF:CuCl (HAC e HTC). The photosensitivity of the samples was studied by UV-VIS optical absorption spectroscopy allowing indentifying the rising of absorption bands aroud 780 nm after UV irradiation of the films (photodarkening related to Mo +6 → Mo +5 ) and also the reversibility of the process without UV (bleaching due to Mo +5 → Mo +6 ). Samples HA, HT, e HAC, HTC showed strong reversible photodarkening and the samples doped with copper (HAC, HTC) showed a faster bleaching process compared with samples without copper. Optical transmittance at... (Complete abstract click electronic access below) / Mestre
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Contribuição à caracterização nanoestrutural por saxs de sonogéis de sílica obtidos por processo sol-gel /Vollet, Dimas Roberto. January 2005 (has links)
Resumo: As características estruturais de sonogéis obtidos a partir da hidrólise ácida do TEOS estimulada por ultrasom foram estudadas por espalhamento de raios-x a baixo ângulo (SAXS). O estudo inclui: i) o processo de agregação em diferentes temperaturas; ii) o envelhecimento dos géis úmidos na fase líquida de preparação e depois da troca da fase líquida por álcool e acetona; iii) a secagem dos géis; iv) a estrutural evolução de xerogéis e aerogéis com o tratamento térmico até 1100 oC; e v) um estudo comparativo usando SAXS e adsorção de nitrogênio na caracterização de aerogéis e xerogéis... (Resumo completo, clicar acesso eletrônico abaixo) / Abstract: The structural characteristics of acid-catalyzed and ultrasound stimulated TEOS-derived sonogels were studied by small-angle x-ray scattering (SAXS). The study includes: i) the aggregation process at different temperatures; ii) the ageing of the wet gels in the liquid phase as prepared and after exchanging the liquid phase by alcohol and acetone; iii) the drying of the gels; iv) the structural evolution of xerogels and aerogels under heat treatment up to 1100 oC; and v) a comparative study using SAXS and nitrogen adsorption in the characterization of aerogels and xerogels... (Complete abstract, click electronic access below)
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Development of Dose Verification Detectors Towards Improving Proton Therapy OutcomesJanuary 2019 (has links)
abstract: The challenge of radiation therapy is to maximize the dose to the tumor while simultaneously minimizing the dose elsewhere. Proton therapy is well suited to this challenge due to the way protons slow down in matter. As the proton slows down, the rate of energy loss per unit path length continuously increases leading to a sharp dose near the end of range. Unlike conventional radiation therapy, protons stop inside the patient, sparing tissue beyond the tumor. Proton therapy should be superior to existing modalities, however, because protons stop inside the patient, there is uncertainty in the range. “Range uncertainty” causes doctors to take a conservative approach in treatment planning, counteracting the advantages offered by proton therapy. Range uncertainty prevents proton therapy from reaching its full potential.
A new method of delivering protons, pencil-beam scanning (PBS), has become the new standard for treatment over the past few years. PBS utilizes magnets to raster scan a thin proton beam across the tumor at discrete locations and using many discrete pulses of typically 10 ms duration each. The depth is controlled by changing the beam energy. The discretization in time of the proton delivery allows for new methods of dose verification, however few devices have been developed which can meet the bandwidth demands of PBS.
In this work, two devices have been developed to perform dose verification and monitoring with an emphasis placed on fast response times. Measurements were performed at the Mayo Clinic. One detector addresses range uncertainty by measuring prompt gamma-rays emitted during treatment. The range detector presented in this work is able to measure the proton range in-vivo to within 1.1 mm at depths up to 11 cm in less than 500 ms and up to 7.5 cm in less than 200 ms. A beam fluence detector presented in this work is able to measure the position and shape of each beam spot. It is hoped that this work may lead to a further maturation of detection techniques in proton therapy, helping the treatment to reach its full potential to improve the outcomes in patients. / Dissertation/Thesis / Doctoral Dissertation Physics 2019
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Preparação e caracterização estrutural de aerogéis de sílica com diferentes concentrações de F127Fermino, Tainá Zampieri [UNESP] 25 February 2014 (has links) (PDF)
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000756776.pdf: 1247387 bytes, checksum: e43f6ca86e670c147013bebeba65e0d7 (MD5) / Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) / Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) / Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES) / O presente trabalho tem como objetivo estudar os efeitos da variação de concentração do copolímero tri-bloco (Pluronic F127) no preparo de géis de sílica a partir de hidrólise ácida do tetraetilortosilicato (TEOS), através de suas características estruturais em estágios que vão desde o saturado (géis úmidos) até os estados secos do gel (aerogéis e xerogéis). O F127 é um polímero formador de micelas utilizado como impregnador de estrutura no processo de formação de poros em espécies de sílicas, pois a estruturação micelar do F127 pode determinar a formação de poros de diferentes tamanhos durante os processos de geleificação na hidrólise e policondensação para obtenção de corpos porosos, produzindo interessantes estruturas de sílicas porosas obtidas pelo método sol-gel. Os aerogéis de Sílica foram obtidos por secagem a pressão ambiente (APD) após sililação dos géis em fase úmida. O processo de sililação foi feito nos géis úmidos utilizando 20% em volume de hexametildisilazano (HMDZ) em n-hexano. As características estruturais de aerogéis obtidos por APD com diferentes adições de F127 foram estudadas após tratamento térmico a 300, 500, 700 e 900 ºC, através de análises de adsorção de nitrogênio e espalhamento de raios-X a baixo ângulo (SAXS). Adicionalmente xerogéis com as mesmas composições de F127 foram obtidos por envelhecimento em solução de NH4OH 0,1M e APD. Os géis úmidos apresentaram uma estrutura de fractal de massa com dimensão fractal D em torno de 2.1 e o tamanho característico do domínio fractal (ξ) vai de 9.05 para o gel preparado sem adição de F127 até valores que extrapolam o limite máximo experimental de 14,2 nm com o aumento da concentração de F127. Estes géis também exibem um estrutura que permeiam o fractal, os domínios da estrutura do fractal de massa principal dos géis úmidos. A partir da adsorção de nitrogênio obteve-se a superfície... / The present work aims to study the effects of varying the concentration of the copolymer tri-block (F127 Pluronic) in the preparation of silica gels from acid hydrolysis of tetraethylorthosilicate (TEOS), through its structural features in stages ranging from the saturated (wet gels) to dry gel state (aerogels and xerogels). The F127 is a micelle forming polymer as used in the impregnator structure of the pore-forming species-process silica because the micellar structure of F127 can determine the formation of pores of different sizes during the process of gelation on hydrolysis and polycondensation to obtain porous bodies, producing interesting structures of porous silica obtained by sol-gel method. Silica aerogels were obtained by ambient pressure drying (APD) after silylation of the gels in humid phase. The process of silylation was done in the wet gels using 20% by volume of hexamethyldisilazane (HMDZ) in n-hexane. Heat treatment at 300, 500, 700 e 900 ºC was performed in order to characterize. The structure of aerogels by APD with different compositions of F127. This characterization was carried out using nitrogen adsorption and small angle X-ray scattering techiniques. Additionally xerogels having the same compositions F127 were obtained by aging in a solution of 0.1 M NH4OH and APD. The wet gels showed a mass fractal structure with fractal dimension D around 2.1 and fractal characteristic size of the domain (ξ) goes from 9.05 for gel prepared without the addition of F127 to values that exceed the maximum experimental limit of 14.2 nm with increasing concentration of F127. These gels also exhibit a fractal structure that permeate the field of fractal structure of the main mass of wet gels. Nitrogen adsorption shows a specific surface area (SBET) for APD aerogels, which presented a value of around 800 m2/g to different concentrations of F127, the volume (Vp), the average length (lp) pores of aerogels increased more or less regular...
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Síntese de aerogéis e xerogéis de sílica com troca de solvente e secagem a pressão ambiente /Chiappim Júnior, William. January 2012 (has links)
Orientador: Dimas Roberto Vollet / Banca: Antonio Tallarico Vicente Adorno / Banca: Fábio Simões de Vicente / Resumo: O presente trabalho estuda as características estruturais de géis de sílica preparados a partir da sonohidrólise do Tetraetilortosilicato (TEOS) em função de diferentes quantidades de álcool isopropílico (IPA), denominado conjunto de amostras A, e em função de diferentes quantidades de dimetilformamida (DMF), denominado conjunto de amostras B. Os géis são estudados desde o estágio saturado (gel úmido) até o estágio do gel seco (aerogel e xerogel) resultante da secagem a pressão ambiente. As caracterizações estruturais das amostras são realizadas através das técnicas de Termogravimetria (TG), densidade aparente, análise de distribuição de tamanho de poros e área superficial por adsorção de nitrogênio, e espalhamento de raios X a baixo ângulo (SAXS). A sonohidrólise foi realizada a partir de volumes constantes das misturas reagentes, mantendo-se a mesma razão molar água/TEOS para as diferentes adições de IPA do conjunto A e também a mesma razão molar água/TEOS para as diferentes adições de DMF do conjunto B. Géis úmidos produzidos a partir da estimulação ultrassônica do TEOS com aumento da quantidade de IPA (conjunto A) exibem uma estrutura de fractal de massa com dimensão fractal D em torno de 2,0 e com tamanho característico do fractal de massa crescendo de 4,1 nm para 5,1 nm, quando a razão molar [IPA]/[TEOS] cresce de 0 para 10,8. Os géis do conjunto B exibem uma estrutura fractal de massa com dimensão fractal D em torno de 2,2 e com decrescendo de 9,2 nm para 7,8 nm quando a razão molar R = [DMF]/[TEOS] cresce de 0 para 4. Aerogéis foram obtidos após lavagem dos géis úmidos de ambos os conjuntos com IPA, para remoção de resíduos provenientes da sonohidrólise, e depois imersos em solução de trimetilclorosilano (TMCS) em álcool isopropílico, para modificação... (Resumo completo, clicar acesso eletrônico abaixo) / Abstract: The present work studies the structural characteristics of silica gels prepared from the sonohydrolysis of tetraetoxisilane (TEOS) as a function of different amounts of isopropyl alcohol (IPA), which will be called the set of samples A, and for different amounts of dimethylformamide (DMF) , which will be called set of samples B. The gels are studied from the saturated stage (wet gel) until the stage of dry gel (xerogel and aerogel) that results from a drying process at ambient pressure. The samples are characterized by Termogravimetry (TG), apparent density, surface area and pores size distribution by nitrogen adsorption, and small-angle X-ray scattering (SAXS). The sonohydrolysis was carried out from reagent mixtures with constant volumes, keeping the same water/TEOS molar ratio for different additions of IPA in the set A and also the same water/TEOS molar ratio for different additions of DMF in the set B. Wet gels produced from the ultrasonic stimulation of TEOS with increasing the quantity of IPA (set A) exhibit a structure of fractal mass with fractal dimension D around 2.0 and with characteristic size growing from 4.1 nm to 5.1 nm, when the [IPA]/[TEOS] molar ratio increases from 0 to 10,8. The gels of the set B exhibit a structure of fractal mass with fractal dimension D around 2.2 and with decreasing from 9.2 nm to 7.8 nm when increasing the molar ratio R =[DMF]/[TEOS] from 0 to 4. Aerogels were obtained after washing the wet gels from both sets with IPA, to remove wastes from the sonohydrolysis, and then immersing them in a solution of trimethylchlorosilane (TMCS) in isopropyl alcohol, for the silica surface modification (silylation), and finally in pure isopropyl alcohol. The drying process narrows the range of characteristic lengths of the original structure of fractal mass of the wet gels, however, it does not change... (Complete abstract click electronic access below) / Mestre
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Caracterização óptica de nanopartículas de CuCl e CuBr sintetizadas em filmes ORMOSILs /Vilela, Raquel Riciati do Couto. January 2017 (has links)
Orientador: Dario Antonio Donatti / Banca: Fábio Simões de Vicente / Banca: Ivan de Oliveira / Resumo: A incorporação de nanopartículas em matrizes híbridas produz materiais com grande potencial para aplicações em diversas áreas de estudo. Na óptica, sua funcionalidade surge quando elétrons confinados em estruturas tridimensionais nanométricas são excitados. Em princípio, esses materiais exibem nível de energia discreto, apresentando picos estreitos no espectro de absorção. Tal comportamento torna-os atrativos para óptica não-linear e aplicações eletro-ópticas. Neste trabalho, o processo sol-gel foi utilizado para a síntese de nanocompósitos contendo CuCl ou CuBr. Cu2O, HBr e HCl foram utilizados como precursores para os CuBr e CuCl, e a matriz Orgânica/Sílica foi preparada a partir dos alcóxidos 3-glicidoxipropiltrimetoxisilano (GPTS) e Tetraetilortosilicato (TEOS). As amostras foram preparadas na forma de filmes finos depositados sobre lâminas de vidro, utilizando a técnica Dip-Coating. Após a secagem, as amostras foram tratadas num forno convencional e/ou expostas à radiação UV utilizando uma luz negra comercial. A espectroscopia de absorção UV-VIS permitiu identificar estreitas bandas de absorção, bem como sua variação. O espectro de absorção (UV-VIS) registrou à temperatura ambiente picos em 418 e 399 nm para as nanopartículas de CuBr e a 376 e 380 nm para as nanopartículas CuCl, correspondente aos excitons Z1,2 e Z3 respectivamente. Comportamento semelhante foi relatado na literatura / Abstract: The incorporation of nanoparticles in hybrid matrices has produced materials with great potential for applications in many fields of study. In optics, its functionality arises when electrons confined in nanometric three-dimensional structures are excited. At first, these materials exhibit discrete energy level, with sharp peaks in the absorption spectrum. Such behavior makes them attractive to non-linear optical and electro-optical applications. In this work, the sol-gel process was used for the synthesis of nanocomposite containing CuCl or CuBr. These complexes decompose during thermal or ultraviolet treatment, and form copper halide nanoparticles. Cu2O, HCl and HBr were used as precursors for the CuBr and CuCl, and the organic matrix/silica was prepared from alkoxides of 3-glycidoxypropyltrimethoxysilane (GPTS) and tetraethylorthosilicate (TEOS). The samples were made in the form of thin films deposited on glass slides using the dip-coating technique. After drying, they were treated in a conventional oven and/or exposed to UV radiation using a commercial black light. The UV-VIS absorption spectrum allowed to identify narrow absorption bands, such as its variation. The absorption spectrum (UV-Vis) recorded at room temperature showed peaks at 418 and 399 nm CuBr nanoparticles and 376 and 380 to CuCl nanoparticles corresponding to the excitons Z1,2 and Z3 respectively. Similar behavior has been reported in the literature / Mestre
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Preparação e caracterização de aerogéis por adsorção de nitrogênio e espalhamento de luz visível /Lima, Bruna Patrocinio. January 2017 (has links)
Orientador: Dario Antonio Donatti / Banca: Alexandre Mesquita / Banca: Agnaldo Freschi / Abstract: The Sol-Gel Process has been used for the preparation of vitreous or vitreous-ceramic materials from the hydrolysis and polycondensation reactions of metal alkoxides. The overall reaction of the process involves the hydrolysis reaction and the polycondensation reaction of the siloxanes, followed by gelling, aging and drying of the gels. To preserve the structural properties of wet gels, the drying can be carried out by hypercritical processes, by the introduction of hydrophobic agents, or even by sublimation of the remaining solvents of the hydrolysis and polycondensation reactions. When the drying is performed by hypercritical process, the material obtained is known as Aerogel. The method consists of making the exchange of remaining solvent hydrolysis and polycondensation reactions by a solvent that can be extracted by hypercritical process. In our case, the hybrid silica samples were prepared by Sol-Gel Process using the alkoxides 3-glycidoxypropyltrimethoxysilane and Tetraethoxisilano in molar ratio of 4:1. Hydrolysis of the system was promoted in acidic medium due to the addition of the 3 different hydrochloric, or nitric, or hydrobromic acids. After completion of the hydrolysis reaction, the solutions, which are called Sol, were packed in containers and kept in an oven at 40° C for gelling and aging. Solvent exchange was carried out by Ethanol, followed by liquid CO2 in an autoclave specially developed for the process and its extraction performed at higher tem... (Complete abstract click electronic access below) / Resumo: O Processo Sol-Gel tem sido utilizado para a preparação de materiais vítreos ou vítreo-cerâmicos a partir das reações de hidrólise e policondensação de alcoóxidos metálicos. A reação global do processo envolve a reação de hidrólise e policondensação dos siloxanos, seguido de gelificação, envelhecimento e secagem dos géis. Para preservar as propriedades estruturais dos géis úmidos, a secagem pode ser realizada por processos hipercríticos, ou pela introdução de agentes hidrofóbicos, ou até mesmo por sublimação dos solventes remanescentes das reações de hidrólise e policondensação. Quando a secagem é realizada por processo hipercrítico, o material obtido é conhecido como Aerogel. O método consiste em fazer a troca dos solventes remanescentes das reações de hidrólise e policondensação por um solvente que possa ser extraído por processo hipercrítico. No nosso caso, as amostras híbridas de sílica foram preparadas via Processo Sol-Gel utilizando os alcoóxidos 3-Glicidoxipropiltrimetoxisilano e Tetraethoxisilano na relação molar de 4:1. A hidrólise do sistema foi promovida em meio ácido pela adição de 3 diferentes ácidos Clorídrico, ou Nítrico, ou Bromídrico. Após o término da reação de hidrólise, as soluções, que recebem o nome de Sol, foram acondicionadas em recipientes e mantidas em estufa a 40 °C para gelificação e envelhecimento. A troca dos solventes foi realizada por Etanol, seguida de CO2 líquido em autoclave especialmente desenvolvida para o processo e sua extração... (Resumo completo, clicar acesso eletrônico abaixo) / Mestre
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