Análise comparativa dos histogramas de dose e volume entre planejamentos tridimensionais conformados e convencionais não conformados na radioterapia do câncer de próstata

OBJETIVO: Analisar, comparativamente, doses de radiação em volumes alvos e órgãos de risco entre planejamentos conformados e não conformados em pacientes com câncer de próstata. MATERIAIS E MÉTODOS: No presente trabalho foram analisados planejamentos de 40 pacientes portadores de câncer de próstata. Foram realizados planejamentos conformados, não conformados isocêntricos e não conformados utilizando a distância fonte-superfície, simulados para cada caso, para comparação das doses em volumes alvos e órgãos de risco. Para a comparação foram analisados os histogramas de dose e volume para volumes alvos e órgãos de risco. RESULTADOS: As medianas das doses foram significativamente menores no planejamento conformado analisando-se os seguintes volumes no reto: 25%, 40% e 60%. As medianas das doses foram significativamente menores no planejamento conformado analisando-se os seguintes volumes na bexiga: 30% e 60%. As doses medianas foram significativamente menores no planejamento conformado analisando-se as articulações coxofemorais direita e esquerda. As doses máximas, médias e medianas no volume alvo clínico e no volume alvo planejado foram significativamente maiores no planejamento conformado. CONCLUSÃO: O presente estudo demonstrou que por meio do planejamento conformado em pacientes com câncer de próstata é possível entregar doses maiores no volume alvo e doses menores em órgãos de risco.

Dosimetria comparativa de braquiterapia de próstata com sementes de I-125 e Pd-103 via SISCODES/MCNP

OBJETIVO: O presente artigo visa apresentar um estudo dosimétrico comparativo de braquiterapia de próstata com sementes de I-125 e Pd-103. MATERIAIS E MÉTODOS: Um protocolo adotado para ambos os implantes com 148 sementes foi simulado em um fantoma tridimensional heterogêneo de pelve por meio dos códigos SISCODES/MCNP5. Histogramas dose-volume na próstata, bexiga e reto, índices de doses D10, D30, D90, D0,5cc, D2cc e D7cc, e representações de distribuição espacial de dose foram avaliados. RESULTADOS: A atividade inicial de cada semente de I-125, para que D90 seja equivalente à dose de prescrição, foi calculada em 0,42 mCi, e de Pd-103, em 0,94 mCi. A dose máxima na uretra foi 90% e 108% da dose de prescrição para I-125 e Pd-103, respectivamente. A D2cc para I-125 foi 30 Gy no reto e 127 Gy na bexiga, e para Pd-103 foi 29 Gy no reto e 189 Gy na bexiga. A D10 no osso do púbis foi 144 Gy para I-125 e 66 Gy para Pd-103. CONCLUSÃO: Os resultados indicam que os implantes de Pd-103 e I-125 puderam depositar a dose prescrita no volume alvo. Entre os achados, observou-se excessiva exposição de radiação nos ossos da pelve, principalmente no protocolo com I-125.

Cámaras de Comercio: comparativa entre la Cámara de Comercio de Barcelona y la Cámara de Comercio Española en Gran Bretaña

Les Cambres de Comerç son corporacions de dret públic que realitzen funcions de caràcter consultiu i de col·laboració amb les Administracions Públiques. En l’actual context econòmic han adquirit una especial rellevància de cara a la regeneració del teixit econòmic i la creació de llocs de treball i es consolida la seva finalitat de representació, promoció i defensa dels interessos generals del comerç, així com la prestació de serveis a totes les empreses. Aquestes institucions van néixer a Espanya a finals del segle XIX, concretament a l’any 1886, amb l’ intenció de representar els interessos generals de les empreses. Les Cambres seguien un model cameral continental caracteritzat per l’obligatorietat en l’adscripció de les persones que exercien activitats empresarials amb el corresponent pagament de quotes. El recurs cameral representava la principal font d’ingressos de les Cambres, pel que l’entrada en vigor del Reial Decret 13/2010 que eliminava l’obligatorietat del pagament de la quota a les empreses va provocar un canvi molt important de les seves funcions. El legislador va introduir aquest canvi per dos motius. Per una banda, tenia com objectiu impulsar a les Cambres com entitats de prestació de serveis amb la finalitat de reforçar la seva eficiència en el desenvolupament de les funcions que se l’hi atribuïen. I per altra, considerava que l’eliminació d’aquesta obligatorietat faria que les empreses disposessin de més recursos en la difícil situació econòmica existent. Les Cambres de Comerç van haver d’adaptar-se a aquesta nova situació i intentar aconseguir els recursos econòmics suficients per la seva subsistència. Dos bons exemples son la Cambra de Comerç de Barcelona i la Cambra de Comerç Espanyola de Gran Bretanya que, mitjançant una proposta de serveis d’alta qualitat, com els serveis d’internacionalització o els serveis de consultoria, estan captant a un gran nombre d’empreses. La realitat en la que ens trobem és que certament les Cambres de Comerç, tant les que estan domiciliades en el territori nacional com les que estan establertes a l’estranger, estan oferint uns serveis molt importants per a les petites i mitjanes empreses en l’àmbit de la internacionalització i augment de la seva competitivitat. La seva experiència, el seu coneixement, el seu gran equip de treball i les seves col·laboracions amb altres entitats són elements diferencials d’aquestes corporacions que faciliten a les empreses el procés d’iniciar la seva expansió a noves línies de negoci o a nous mercats amb les màximes garanties.

Modelagem Molecular: Uma Ferramenta para o Planejamento Racional de Fármacos em Química Medicinal

The molecular basis of modern therapeutics consist in the modulation of cell function by the interaction of microbioactive molecules as drug cells macromolecules structures. Molecular modeling is a computational technique developed to access the chemical structure. This methodology, by means of the molecular similarity and complementary paradigm, is the basis for the computer-assisted drug design universally employed in pharmaceutical research laboratories to obtain more efficient, more selective, and safer drugs. In this work, we discuss some methods for molecular modeling and some approaches to evaluate new bioactive structures in development by our research group.

Modelagem dos processos químicos em plasmas de misturas gasosas usadas na corrosão de silício. Parte 1: CF4 / O2

The plasma etching of semiconductor surfaces with fluorine-containing compounds has technological interest. Presently, considerable effort is being devoted to understand the chemistry involved. In this work, a numerical modeling analysis of the gas-phase decomposition of CF4/O2 mixtures, in the presence of silicon, was performed. The relative importance of individual processes was determined as well as the effect of the parameters' uncertainties. The results were compared with experimental data. The main etching agent in the system is the fluorine atom. The concentration of the main species, SiF4, CO, CO2 and COF2 depend on the composition of the mixture.

Modelagem dos processos químicos em plasmas de misturas gasosas usadas na corrosão de silício. Parte 2: SF6 / O2

In this work, a numerical modeling analysis of the gas-phase decomposition of SF6 / O2 mixtures, in the presence of silicon, was performed. The relative importance of individual processes and the effect of the parameters' uncertainties were determined. The model was compared with experimental data for the plasma etching of silicon and with the calculated results for the CF4 / O2 system. In both systems the main etching agent is the fluorine atom and the concentration of the major species depends on the composition of the mixture. The etching rate is greater for SF6 / O2.

Modelagem de proteínas por homologia

Modeling methods to derive 3D-structure of proteins have been recently developed. Protein homology-modeling, also known as comparative protein modeling, is nowadays the most accurate protein modeling method. This technique can produce useful models for about an order of magnitude more protein sequences than there have been structures determined by experiment in the same amount of time. All current protein homology-modeling methods consist of four sequential steps: fold assignment and template selection, template-target alignment, model building, and model evaluation. In this paper we discuss in some detail the protein-homology paradigm, its predictive power and its limitations.

Introdução a modelagem molecular de fármacos no curso experimental de química farmacêutica

Molecular Modeling is an important tool in drug design and it is very useful to predict biological activity from a library of compounds. A wide variety of computer programs and methods have been developed to visualize the tridimensional geometry and calculate physical properties of drugs. In this work, we describe a practical approach of molecular modeling as a powerful tool to study structure-activity relationships of drugs, including some antibacterials, hormones, cholinergic and adrenergic agents. At first, the students learn how to draw 3D structures and use them to perform conformational and molecular analysis. Thus, they compare drugs with similar pharmacological activity by superimposing one structure on the top of another and evaluate the geometry and physical properties.

Fixação de nitrogênio: estrutura, função e modelagem bioinorgânica das nitrogenases

Biological nitrogen fixation, catalyzed by nitrogenases, contributes about half of the nitrogen needed to global agriculture. For forty years synthetic chemists and theoreticians have tried to understand and model the structure and function of this important metalloenzyme. Ten years after the first report on the crystal structure of the MoFe protein, scientists still have not been able to synthesize a chemical equivalent of the FeMo cofactor nor the structure knowledge revealed the key to its catalytic activity. This paper with 104 references presents a review of the most relevant advances in chemical nitrogen fixation and their relation with the nitrogenases.

Especiação analítica de compostos de arsênio empregando métodos voltamétricos e polarográficos: uma revisão comparativa de suas principais vantagens e aplicações

This paper provides a review on voltammetric and polarographic methods for the speciation analysis of inorganic and organic arsenic compounds in different matrices. A discussion on the main advantages of electroanalytical methods in comparison with other analytical methods employed for arsenic speciation is presented. The mechanistic aspects of the most relevant techniques employing cathodic and anodic stripping voltammetry as well as polarographic methods published in the last twenty five years are summarized and discussed. The bibliographic references cited in this work were selected from the Web of Science (published by the ISI) and the main journals of analytical chemistry.

Estudo de modelagem molecular de complexos ferriprotoporfirina-IX e quinolinocarbinolaminas antimaláricas: proposta de um farmacóforo

Quinine and quinidine are well-known 4-quinolinecarbinolamines that exhibit antimalarial activity, but, in contrast, their epimers 9-epiquinine and 9-epiquinidine are almost inactive. Literature data are conflicting in describing the 4-quinolinecarbinolamine interaction mode with the molecular target, the ferriprotoporphyrin IX [Fe(III)PPIX]. In the present paper, a pharmacophore is proposed based on the binding of the non-aromatic nitrogen to the iron atom. The 4-quinolinecarbinolamine antimalarials were superimposed on the pharmacophore under consideration and complexes with Fe(III)PPIX were constructed. Conformational analyses of the complexes were performed applying the MM+ molecular mechanics method. The analysis of the complexes showed that the proposed ligand mode is possible although it does not explain the activity differences between epimers. A discussion of the structural aspects is also provided.

Utilização de modelagem numérica para o estudo da dispersão de poluentes emitidos pela usina termoelétrica Presidente Médici

The purpose of the present study is to evaluate the atmospheric behavior in the dispersion of the pollutants SO2, PM10 and NOx emitted by the President Medici power plant in Candiota, RS. The RAMS atmospheric model was applied and the simulations were conducted from april in 20 to 24, 2004. The concentrations of the pollutants simulated by RAMS were compared with the data measured at the air quality monitoring stations. The results showed significant influence of the emissions generated by the power plant on the concentration of the pollutants.

Síntese, avaliação biológica e modelagem molecular de arilfuranos como inibidores da enzima tripanotiona redutase

Trypanosoma cruzi is a protozoan parasite that causes a severe disease (Chagas'disease) in Central and South America. The currently available chemotherapeutic agents against this disease are still inadequate. The enzyme trypanothione reductase (TR) is considered a validated molecular target for the development of new drugs against this parasite. In this regard, a series of arylfurans based on 2,5-bis-(4-acetamidophenyl)furan was synthesized and tested for their in vitro inhibitory activity against TR. Molecular modeling studies of putative enzyme-inhibitor complexes revealed a possible mechanism of interaction. From synthesized compounds, a benzylaminofuran derivative was found to be more active than the lead compound.

Algorismes de shading moderns|h[Recurs electrònic] :|b implementació i comparativa

Elmercat de jocs i de pel•lícules d'entreteniment demana constantment entornsmés realistes i efectes que sorprenguin a l'espectador.Els gràfics 3D interactius (per exemple, dels jocs) han vist una evoluciósorprenent en les dues últimes dècades. Hem passat de representacions moltesquemàtiques i simplificades dels entorns, a una qualitat visual que aviatserà indistingible de la realitat. El projecte tracta de desenvolupar un motor 3D des de zero. Es podria haver utilitzatun motor 3D ja disponible com a base, com per exemple el popular Unity,però s’ha decidit crear-lo ja que això dóna l’ oportunitat de conèixer com funcionen els motoscomercials i provar noves idees. En resum, és un treball difícil, però moltenriquidor, la qual cosa comporta una gran motivacio.S’han utilitzat noves tecnologies. No només s’ha volgut desenvoluparun motor 3D des de zero, si no que s’han volgut provar noves llibreries gràfiques i nous formats de dades 3d. El mercat té força oferta de les duess, per la qualcosa s’ha aprofitat l’ oportunitat per aprendre duess tecnologies noves.El procés de desenvolupar un projecte utilitzant tecnologies desconegudes permetrà aprendre els seus punts forts i febles, podent fer-neuna anàlisi crítica, que d'altra manera no es tindria.Finalment, s’ha implementat i comparat quatre algorismes de shading.La selecció dels quatre algorismes ha estat en base a les diferentsnecessitats que intenten cobrir. El primer, el Forward Shading, és l'algorismeclàssic, utilitzat des de fa dècades, però que teòricament escala malament respecte a la quantitat de llums. El segon, el Deferred Shading, teòricament,escala molt bé amb moltes llums, però té un cost base elevat, i un consum altde memòria. El tercer, el Deferred Lighting, és una variació de l'anterior queintenta reduir el cost base i l'úss de memòria. L'últim, el Inferred Lighting,intenta explotar la baixa freqüència de la il•luminació dels entorns 3D, persuportar una gran quantitat de llums amb un molt bon rendiment.Un cop implementats aquests quatre algorismes, s’han pogut compararrespecte el seu ús de la GPU, i el seu comportament en diferents tipusd'escenes, per tal de tenir una visió global de quin algorisme és adequat encada situació

Metodologia AGOA: a modelagem de clusters de hidratação no complexo aziridina···ácido fluorídrico

We present a theoretical study of solvent effect on C2H5N···HF hydrogen-bonded complex through the application of the AGOA methodology. By using the TIP4P model to orientate the configuration of water molecules, the hydration clusters generated by AGOA were obtained through the analysis of the molecular electrostatic potential (MEP) of solute (C2H5N···HF). Thereby, it was calculated the hydration energies on positive and negative MEP fields, which are maxima (PEMmax) and minima (PEMmin) when represent the -CH2- methylene groups and hydrofluoric acid, respectively. By taking into account the higher and lower hydration energy values of -370.6 kJ mol-1 and -74.3 kJ mol-1 for PEMmax and PEMmin of the C2H5N···HF, our analysis shows that these results corroborate the open ring reaction of aziridine, in which the preferential attack of water molecules occurs at the methylene groups of this heterocyclic.