Thesis (Ph. D.)--University of Wisconsin--Madison, 1955. / Typescript. Vita. eContent provider-neutral record in process. Description based on print version record. Includes bibliographical references.

Made available in DSpace on 2014-06-11T19:24:50Z (GMT). No. of bitstreams: 0 Previous issue date: 2011-09-28Bitstream added on 2014-06-13T19:52:39Z : No. of bitstreams: 1 bianchini_tb_me_bauru.pdf: 683609 bytes, checksum: ef65f80c6217a55d4db4bb22436bf15c (MD5) / Nas últimas décadas, o Ensino de Ciências vem buscando estratégias que favoreçam o entendimento dos conteúdos científicos ou, como indica Driver (1999), a enculturação da Ciência (DRIVER, CAPECCHI E CARVALHO, MORTIMER, 2000), além da formação de alunos e professores críticos e reflexivos. O uso da argumentação em salas de aula pode se tornar grande aliada na formação de jovens pensadores e críticos, que consigam utilizar seus pensamentos em favor próprio e em conjunto, que sejam capazes de discutir problemas e propor soluções, não apenas na escola, mas em seu dia a dia. Para favorecer a argumentação, foi utilizado um minicurso investigativo com o tema Forças intermoleculares. Nossa proposta de trabalho procurou investigar quais são as potencialidades do uso integrado desses referenciais teóricos e qual a contribuição de uma proposta de minicurso invesetigativo no desenvolvimento de habilidades de argumentação em alunos e futuros professores além de analisar a proposta investigativa utilizada. Os dados analisados foram divididos em três categorias, i) a proposta do minicurso investigativo com base na classificação de atividades de ensino proposta por Canal (2000), ii) a qualidade da argumentação com Osborne et al (2004) e iii) a atuação do professor na elaboração dos argumentos dos alunos com Mendonça e Justil (2009). Os resultados mostram que a atividade proposta favoreceu a argumetnação dos alunos e professores, possibilitando a abertura de espaços na sala de aula para que ocorra diálogo entre os alunos e os professores. Pode-se perceber o papel fundamental do professor na elaboração dos argumentos dos alunos, pois, se os mesmos não direcionarem as discussões, os argumentos podem ser mal elaborados ou mal explorados / In recent decades, the Teaching if Science has been searching for strategies that enhance the understanding of scientific content or, as indicated by Driver (1999), enculturation of Science (DRIVER, Capecchi and CARVALHO, MORTIMER, 2000) and the training of teachers ans students to be critical and reflective. The use of argumentation in the classroom can become a great ally in forming young thinkers and critics, who can use their own behalf and thoughts together; they can discuss problems and propose solutions, not just in shool but in their day by day. To facilitate the argument we used an investigate shor course with the theme Intermolecular Forces. Our proposal of work aimed to investigate what are the potential use of integrated theoretical and the contribution of a proposed short course in the development of investigate reasoning abilities in students and future teachers as well as used to analyze the research proposal. Data were divided into three categories, i) the proposed investigative mini course based on the classification of educational activities proposed by Canal (2000), ii) the quality of argumentation with Osborne et al (2004) and iii) the performance of teacher in preparing students with the arguments of Mendonça and Justi (2009). The results show that the proposed activity favored the argument of the students and teachers, enabling the opening of spaces in the classroom dialogue to occur between students and teachers. It can be noticed the teqacher's role in the development of students arguments, because if they do not guiding discussions arguments can be poorly designed or poorly explored

Polarization plays a significant role in the physical and chemical properties of water, thus polarizable water models have been extensively evolved and studied in the past several decades. In this dissertation, two polarizable water models have been extended, and some physical properties in gas phase and condensed phase were studied and analyzed. It was verified that the out-of-plane polarization effect is of great importance in some physical properties. Besides, we proved that there are some connections between these two models, although they were derived from different methodologies. The first polarizable water model we developed was a combination of charge response kernel (CRK) method and polarizable point dipole (PPD) method. In the CRK method, a CRK matrix is defined as the second order derivative of energy with respect to the external potential at atomic sites. It is applied to represent the intensity of charge response to external environment. While in the PPD method, the polarizability tensor which is the second order derivative of energy with respect to external field at the same site, is introduced to characterize the variation of dipole moment in the presence of external perturbation. In our method, we proved that although the CRK matrix of three-site water model has 9 element, it only carries two independent variables, and these two variables only rely on the water geometry and the in-plane polarizability. Thus besides the CRK matrix located on each atomic site, an additional polarizability residing on oxygen atom specifically inducing dipole moment along the direction perpendicular to the water plane was added in our model. With the addition of the out-of-plane description, some physical properties were much enhanced. In the second polarizable water model we extended, electronegativity equalization (EE) method was employed. In this three-site water model, atomic electronegativity and hardness matrix were the first and second order derivative of energy with respect to the partial charge on atomic sites, respectively. In this method, electronegativity differs among different atom types, and the off-diagonal elements in hardness matrix are related on not only atom types but also distances among the corresponding atoms. Accordingly, the intramolecular water deformation can be included. Thus flexible polarizable water model is accessible. With flexibility, this water model is more realistic. Our model validated that more flexible parameterization and geometry could improve the physical performance. At last, we connected the second polarizable water model with the first one. Although the two polarizable models were derived from different methodologies, we proved that under one simple approximation, corresponding CRK matrix can be achieved from hardness matrix. / published_or_final_version / Chemistry / Doctoral / Doctor of Philosophy

<p>Liposomes are excellent chemotherapy drug delivery agents, on the cutting edge of cancer treatment technology. Since liposomes are already used to deploy cancer drugs in patients, imaging capacity would make them dual-purpose "theranostic" vesicles. Intermolecular double quantum coherence (iDQC) MRI is uniquely suited to this application, as its contrast does not require any additional chemicals. Adding contrast agents to liposomes can be time-consuming, add to toxicity, interfere with membrane function, or adversely affect drug loading. Furthermore, iDQC contrast measures diffusion and thus directly depends on membrane permeability and related properties. In this set of experiments, it has been shown that iDQC signal from intra-liposomal water can be distinguished from that of bulk water, and that the T2 dynamics of intra-liposomal water are predictable and dependent on the percent of water encapsulated. These techniques to distinguish between water molecules based on their current physical circumstances lead to many novel possibilities in MRI, as nearly all the signal in conventional MRI is from water protons. Based on the signal to noise ratio in the aforementioned iDQC experiments, we predict that iDQC contrast from liposomes will be visible in vivo, and propose to prove this in a murine model. By examining intra-liposomal water, iDQC can be used to improve chemotherapy delivery via real time monitoring of liposome location and drug release.</p> / Thesis

Thesis (Ph. D.)--University of Wisconsin--Madison, 1950. / Typescript. Vita. eContent provider-neutral record in process. Description based on print version record. Includes bibliographical references (leaves 135-137).

Thesis--University of Florida. / Description based on print version record. Typescript. Vita. Includes bibliographical references (leaves 67-68).

Thesis (MScEng)--University of Stellenbosch, 2008. / Bibliography. Also available via the Internet.

Thesis (Ph.D.)--University of Delaware, 2005. / Principal faculty advisor: Krzysztof Szalewicz, Dept. of Physics and Astronomy. Includes bibliographical references.

Orientador: Silvia Regina Quijadas Ara Zuliani / Banca: Maria Eunice Ribeiro Marcondes / Banca: Odete Pacubi Baierl Teixeira / Resumo: Nas últimas décadas, o Ensino de Ciências vem buscando estratégias que favoreçam o entendimento dos conteúdos científicos ou, como indica Driver (1999), a enculturação da Ciência (DRIVER, CAPECCHI E CARVALHO, MORTIMER, 2000), além da formação de alunos e professores críticos e reflexivos. O uso da argumentação em salas de aula pode se tornar grande aliada na formação de jovens pensadores e críticos, que consigam utilizar seus pensamentos em favor próprio e em conjunto, que sejam capazes de discutir problemas e propor soluções, não apenas na escola, mas em seu dia a dia. Para favorecer a argumentação, foi utilizado um minicurso investigativo com o tema "Forças intermoleculares". Nossa proposta de trabalho procurou investigar quais são as potencialidades do uso integrado desses referenciais teóricos e qual a contribuição de uma proposta de minicurso invesetigativo no desenvolvimento de habilidades de argumentação em alunos e futuros professores além de analisar a proposta investigativa utilizada. Os dados analisados foram divididos em três categorias, i) a proposta do minicurso investigativo com base na classificação de atividades de ensino proposta por Canal (2000), ii) a qualidade da argumentação com Osborne et al (2004) e iii) a atuação do professor na elaboração dos argumentos dos alunos com Mendonça e Justil (2009). Os resultados mostram que a atividade proposta favoreceu a argumetnação dos alunos e professores, possibilitando a abertura de espaços na sala de aula para que ocorra diálogo entre os alunos e os professores. Pode-se perceber o papel fundamental do professor na elaboração dos argumentos dos alunos, pois, se os mesmos não direcionarem as discussões, os argumentos podem ser mal elaborados ou mal explorados / Abstract: In recent decades, the Teaching if Science has been searching for strategies that enhance the understanding of scientific content or, as indicated by Driver (1999), enculturation of Science (DRIVER, Capecchi and CARVALHO, MORTIMER, 2000) and the training of teachers ans students to be critical and reflective. The use of argumentation in the classroom can become a great ally in forming young thinkers and critics, who can use their own behalf and thoughts together; they can discuss problems and propose solutions, not just in shool but in their day by day. To facilitate the argument we used an investigate shor course with the theme "Intermolecular Forces". Our proposal of work aimed to investigate what are the potential use of integrated theoretical and the contribution of a proposed short course in the development of investigate reasoning abilities in students and future teachers as well as used to analyze the research proposal. Data were divided into three categories, i) the proposed investigative mini course based on the classification of educational activities proposed by Canal (2000), ii) the quality of argumentation with Osborne et al (2004) and iii) the performance of teacher in preparing students with the arguments of Mendonça and Justi (2009). The results show that the proposed activity favored the argument of the students and teachers, enabling the opening of spaces in the classroom dialogue to occur between students and teachers. It can be noticed the teqacher's role in the development of students arguments, because if they do not guiding discussions arguments can be poorly designed or poorly explored / Mestre

Metal-catalyzed cyclopropanation of olefins with diazo reagents is one of the most general and efficient method to prepare cyclopropanes. The resulting cyclopropyl units are found as a basic structural element in a wide range of naturally occurring compounds and biologically active compounds, and can serve as versatile synthetic intermediates in the synthesis of multifunctionalized cycloalkanes and acyclic compounds. Since Co(II) complexes of D2-symmetric chiral amidoporphyrins [Co(D2-Por*)] were first introduced in 2004, Co(II)-metalloradical catalysis (MRC) have emerged as a new platform for asymmetric cyclopropanation. These metalloradical catalysts have been shown to be highly effective for asymmetric intermolecular cyclopropanation of a broad scope of substrates with different diazo reagents, with excellent diastereoselectivity and enantioselectivity. This dissertation aims to develop new Co(II)-MRC based enantioselective cyclopropanation systems. It will elaborate on three types of stereoselective cyclopropanation reactions from olefins: radical cyclopropanation with α-halodiazoacetates, asymmetric bicyclization of diazoketones, and radical cyclopropanation with fluoroaryl diazomethanes. These three processes will be examined in the context of diastereo- and enantiocontrol. And also, the application of cyclopropanation products have been demonstrated, which could potentially lead to more exciting works.