Η εργασία εστιάζει στην παρασκευή και μελέτη πολυλειτουργικών μαγνητικών νανοσωματιδίων Ιξαμπεπιλόνης, με σκοπό την χορήγησή τους για την αντιμετώπιση του καρκίνου του μαστού. Πραγματοποιήθηκαν φυσικοχημικές μελέτες, μελέτες αποδέσμευσης και κυτταρικές μελέτες. / The aim of the current study is the preparation and the characterization of multifunctional magnetic Ixabepilone nanoparticles, in order to determine their use for the treatment of advanced breast cancer. Physicochemical studies, release studies and cell studies were performed.

Submitted by Biblioteca do Instituto de Física (bif@ndc.uff.br) on 2017-07-06T19:06:18Z No. of bitstreams: 1 tese.pdf: 4548404 bytes, checksum: f3c3be1c9d5bbc0d098d37be6674bd4b (MD5) / Made available in DSpace on 2017-07-06T19:06:18Z (GMT). No. of bitstreams: 1 tese.pdf: 4548404 bytes, checksum: f3c3be1c9d5bbc0d098d37be6674bd4b (MD5) / Coordenação de Aperfeiçoamento de Pessoal de Nível Superior / Universidade Estadual de Feira de Santana / Neste trabalho, utilizamos cálculos de primeiros princípios baseados na Teoria do Funcional da Densidade (DFT - Density Functional Theory) para investigar a estabilidade energética e as propriedades magnéticas de compostos químicos. Foram estudados os complexos com metais de transição contendo radicais do tipo nitronilnitróxido [M(II)(Phtfac)2(NITpPy)2] [M = Co, Mn] e [M(II)(NITmPy)2(DMSO)2] [M = Cu, Ni, Co], bem como o silicato de cobre Na2Cu5(Si2O7)2. A partir do cálculo da energia total, determinamos a configuração de equilíbrio para os cinco complexos metálicos e os valores das constantes de acoplamento. Além disso, foram obtidas também as respectivas distribuições de densidade de magnetização, fundamentais para entender os mecanismos de acoplamento magnético nesse tipo de sistema. Para o silicato de cobre, cujos responsáveis pelas propriedades magnéticas são cadeias alternadas de trímeros e dímeros, calculamos a energia total das 32 configurações possíveis; determinamos o estado fundamental e as constantes de acoplamento magnético. / In this work we use first principles calculations based on density functional theory (DFT) to investigate the energy stability and the magnetic of chemical compounds. We studied the transition metal complexes with nitronyl nitroxide radical M(II)(P[htfac)2(NITpPy)2] [M = Co, Mn] and [M(NITmPy)2(DMSO)2] [M = Cu, Ni, Co], as well as the copper silicate Na2Cu5(Si2O7)2. By calculating the total energy, we determine the equilibrium configuration for the five metal complexes and the values of coupling constants. Moreover, we obtained their magnetization density distributions, fundamental for understanding the mechanisms of magnetic coupling in this type of system. For the copper silicate, whose magnetic properties are responsible for alternate chains of dimers and trimers, we calculate the total energy of the 32 possible configurations and determine the ground state and magnetic coupling constants.