<p> A review of theoretical analyses and predictions of the 3He and 3H bound-state properties is presented. The predictions of various theoretical models, with the choice of different nucleon-nucleon potentials and methods for solving the Schroedinger equation fer the chosen potentials, are compared with one another. For given nucleon-nucleon forces (provided the potential has a soft-core) , the diagonalisation method seems to be preferable to other methods. Among the nucleon-nucleon potentials, the Riihimaki potential is favourable compared to other realistic N-N forces. </p> <p> The experimental data on 3H and 3He form factors together with Schiff's theoretical analysis of the 3H and 3He charge form factors is brought so that study phenomenologically the wave function of a bound three-nucleon (T=1/2, J=1/2) system. </p> / Thesis / Master of Science (MSc)

We report herein on the results of N- and O-alkylation of 5-cyano-2-methylsulfanyl-4(3H)- pyrimidinone with 4-substituted ω-bromoacetophenones. Synthesized N-(phenacyl)-4- pyrimidinones and 4-(phenacyloxy)pyrimidines with suitable substituents in pyrimidine ring are versatile synthons for the preparation of fused pyrimidine heterocycles. Chemical properties of new furo[2,3-d]pyrimidines were investigated. The structure of synthesized compounds was confirmed by data of 1H NMR, IR and UV spectra.

3-Chloro-4,4,5-trimethyl-3,5-diphenyl-4,5-dihydro-3H-pyrazole (3b) and 3-bromo-4,4,5-trimethyl-3,5-diphenyl-4,5-dihydro-3H-pyrazole (3c) were prepared for the thermolysis project. The thermal decompositions of 3b and 3c were monitored using 1H NMR spectroscopy. Plots of ln (% starting material) vs. time (sec) were linear for at least two half lives and the first order rate constants were determined over at least a 30o temperature range. The relative reactivity was found to be 3c > 3b. The activation parameters determined for the thermal decomposition of the pyrazoline at 150oC were found to be: for 3b &#;H‡ = 33 &#;1.0 kcal/mol, &#;S‡ = -2.4 &#; 0.07eu , k150 0 = 7.34 &#; 0.44 x 10 -5 s-1 ; for 3c &#;H‡ = 30&#;0.2 kcal/mol, &#;S‡ = -6.9 &#;0.03 eu, k150o = 42.3&#;0.7 x 10-5 s-1. Thermal decomposition of 3b both neat and in dibromobenzene (DBB) resulted in the formation of an intermediate 2,3-diphenyl-4-methyl-1,3-pentadiene (8) as a major product and minor isomers of 8. These intermediates then thermally decomposed to 1,1,3-trimethyl-2-phenyl-1H-indene (9) via an acid catalyzed process. In order to gain a mechanistic understanding (ionic vs. radical pathways) of the thermal decomposition of 3b, a product study was conducted in protic solvents. In methanol and ethanol, 3b underwent an ionic reaction (SN1-type) with the solvent to produce 3-methoxy/ethoxy-4,4,5-trimethyl-3,5-diphenyl-4,5-dihydro-3H-pyrazole (3/3d) in good yield. The reaction of 3b with refluxing protic solvents led to the development of new method for the synthesis of alkoxy-4,5-dihydro-3H-pyrazoles which is both safe and efficient.

<p>U disertaciji je izvr&scaron;ena optimizacija detektorskog IZ&nbsp;&nbsp; sistema Quantulus 1220^TM radi razvoja metoda za određivanje pojedinačnih radionuklida ³H,²²²Rn i⁹⁰Sr, kao i ukupne alfa/beta aktivnosti u vodama. Predstavljeni su eksperimenti u svrhu kalibracije sistema, istraživanja uticaja relevantnih parametara na rezultate određivanja aktivnosti alfa i beta emitera, i pode&scaron;avanja optimalnih vrednosti ovih parametara.&nbsp;Posebna pažnja je posvećena variranju&nbsp; PSA diskriminatora, odnosno pode&scaron;avanju analizatora oblika impulsa na optimalnu vrednost u svrhu optimalnog razdvajanja alfa od beta događaja, kao i ispitivanju efekata prigu&scaron;enja u uzorcima i metodama&nbsp;njihove korekcije.&nbsp; Predstavljene razvijene metode su brze, efikasne i jednostavne, &scaron;to je naročito važno u slučaju radijacionog akcidenta, kada je potrebno brzo odrediti sadržaj radionuklida u&nbsp; uzorcima vode, a njihova validnost je pokazana u okviru međunarodnih<br />i međulaboratorijskih interkomparacija.</p> / <p>Dissertation involves optimization of detector AB&nbsp;&nbsp; system&nbsp; Quantulus 1220^TM for development of methods for determination of individual radionuclides ³H, ²²²Rn and ⁹⁰Sr, as well as gross alpha/beta activity in waters. Presented experiments had purpose of calibration of the system,&nbsp; investigation&nbsp; of&nbsp; relevant parameters&nbsp; influence&nbsp; on&nbsp; activity&nbsp; measurements&nbsp; of alpha and beta emitters, as well as&nbsp; setting the optimum values of&nbsp; these parameters. Special attention&nbsp; was devoted to&nbsp; PSA&nbsp; discriminator value&nbsp; setting, i.e. adjusting the pulse shape analyzer level at optimum value for an optimal separation of alpha from beta events, as well as testing the effects of quenching in the samples and methods for quench&nbsp; correction. Presented developed methods are fast, efficient and simple, which is especially important in the case of a radiation accident, when there is a need to quickly determine the content of radionuclides in water samples, and their validity has been demonstrated within the framework of international and inter-laboratory&nbsp; ntercomparison measurements.</p>

Made available in DSpace on 2017-07-24T19:22:12Z (GMT). No. of bitstreams: 1 Lidia Yileng Tay Chu Jon.pdf: 1011394 bytes, checksum: 9cfa95ca6ba9d9c4b6cb8db597101aa8 (MD5) Previous issue date: 2010-02-24 / Coordenação de Aperfeiçoamento de Pessoal de Nível Superior / The aim of this study was to evaluate the effect of water storage time and of a heat treatment on the cytotoxicity of soft lining denture material using the 3H-thymidine incorporation test. Sample disks (10 mm X 1 mm) of soft lining denture Dentusoft, Dentuflex, Trusoft, Ufi Gel P and of denture base acrylic resin Lucitone 550 were fabricated under aseptic conditions. Twelve specimens of each material were prepared and divided into four groups: GN: The specimens received no treatment or storage in water, G24: The specimens were stored in distilled water at 37°C for 24 hours; G48: The specimens were stored in distilled water at 37°C for 48 hours, GHW: The specimens were immersed in water at 55 °C for 10 minutes. To analyze the cytotoxic effect, three samples of each experimental group were placed in test tubes with 9 ml of DMEM's medium supplemented and incubated at 37 °C for 24 hours. During this incubation period, the toxic substances were broadcast to the culture medium, forming the extracts that were used for the cytotoxicity test. The cytotoxicity of each material was analyzed quantitatively by the incorporation of radioactivity 3H - thymidine by checking the number of viable cells for the synthesis of DNA. The results of DNA synthesis were subjected to analysis of variance in a factorial two-way (material and storage time in water). Comparing the averages of cell viability with the classification of cytotoxic established by ISO 10993-5, it was found that Ufi Gel P had non-cytotoxic effect, Trusoft had slightly cytotoxic effect, Dentuflex had a moderated cytotoxic effect, all in any experimental condition. It was also observed that the Dentusoft alternated between slightly cytotoxic and non-cytotoxic effect because their average viability ranged around 75% and Lucitone 550 had non-cytotoxic effect when stored in water for 48 hours, but the others had around 50% cell viability, the slightly moderated cytotoxic effect. It is concluded that the soft lining denture based in acrylic resin had a slightly and moderated cytotoxic effect, Ufi Gel P, the silicone based soft liner, was not cytotoxic; the effect of water storage after 24 hours or 48 hours and the heat treatment did not reduce the cytotoxicity effect of soft lining denture materials. / O objetivo deste estudo foi avaliar, por meio do teste quantitativo de incorporação de 3H-timidina, a citotoxicidade de materiais reembasadores resilientes em função do tempo de armazenamento em água e em função de um tratamento térmico. Doze corpos-de-prova de cada material reembasador resiliente (Dentusoft, Dentuflex, Trusoft e Ufi Gel P) e da resina termopolimerizável (Lucitone 550) foram confeccionados de forma asséptica em forma de discos e divididos em 4 grupos: GN: os corpos-de-prova não receberam nenhum tipo de tratamento ou armazenamento; G24: os corpos-de-prova foram armazenados em água destilada à 37ºC por 24 horas; G48: os corpos-de-prova foram armazenados em água destilada à 37ºC por 48 horas; GAQ: os corpos-de-prova foram imersos em água a 55°C por 10 minutos. Para a análise do efeito citotóxico, três corpos-de-prova de cada grupo experimental foram colocados dentro de tubos de ensaio com 9 mL de meio de cultura DMEM suplementado e incubados a 37ºC por 24 horas. Durante esse período, as substâncias tóxicas foram difundidas para o meio de cultura, formando os extratos que foram utilizados no teste de citotoxicidade. Esta foi analisada quantitativamente por meio da incorporação do radioisótopo 3H-timidina, verificando o número de células viáveis pela síntese de DNA. Os resultados foram submetidos à análise de variância em esquema fatorial de dois fatores incluindo ainda um grupo controle, ao nível de 5% de significância. Confrontando-se as médias obtidas de viabilidade celular com a classificação do efeito citotóxico estabelecida pela ISO 10993-5, verificou-se que o Ufi Gel P foi considerado não-citotóxico, o Trusoft levemente citotóxico e o Dentuflex discretamente citotóxico, em qualquer condição experimental. Observou-se também que o Dentusoft alternou entre levemente citotóxico e não-citotóxico porque suas médias de viabilidade variaram em torno de 75% e o Lucitone 550 apresentou efeito não-citotóxico quando armazenado em água por 48 horas, mas as outras médias ficaram em torno de 50% de viabilidade celular, entre levemente-citotóxico e discretamente citotóxico. Concluiu-se que os reembasadores resilientes a base de resina acrílica (Trusoft e Dentuflex) foram classificados como levemente citotóxico e discretamente citotóxico, respectivamente. O condicionador de tecido (Dentusoft) alternou entre levemente citotóxico e não citotóxico e o reembasador resiliente a base de silicone (Ufi Gel P) não teve efeito citotóxico. O armazenamento em água ou o tratamento térmico não diminuiu a citotoxicidade dos reembasadores resilientes e o armazenamento em água reduziu a citotoxicidade da resina acrílica para base de prótese (Lucitone 550).

Ab initio Hartree-Fock and density functional theory calculations were carried out to investigate the structures, energies, and vibrational spectra of indole and two of its hydrogen migration tautomers. The calculated results of indole are in good agreement with experiments. Rotational constants and infrared spectral features of 2H-indole and 3H-indole are predicted to assist future experimental identification of the two tautomers. Transition states of unimolecular isomerization among the three tautomers are also optimized and activation barriers of the isomerization reactions evaluated. The results indicate that unimolecular indole → 3H-indole proceeds via 2H-indole with an activation barrier of 51 kcal/mol.

No description available.

<p>  </p> <p>Quinolines are benzopyridine complexes present in many modern antimalarial, anticancer, anti-inflammatory, antimicrobial, and other useful pharmaceuticals and natural products.1,2 Quinolines form the scaffold for many potent anticancer drugs; this is because quinolines can undergo both nucleophilic and electrophilic substitution reactions, can be ingested and inhaled by humans without any harm, and possess a great deal of biological importance.3 My research has focused on synthesizing 3H-pyrazolo[4,3-f]quinoline analogs. The 3H-pyrazolo[4,3-f]quinoline scaffold was modified using various amine groups to obtain amide analogs as well as see how a change in the scaffold affects the anticancer activity of the synthesized complexes by screening them against kinases such as FLT3, CDK2, CDK4, and CDK9 to see if they are effective inhibitors. The synthesized complexes were then characterized using proton, carbon NMR and FTIR spectroscopy.</p>

Mémoire numérisé par la Direction des bibliothèques de l'Université de Montréal.

No description available.