Distribuição de derivados de petróleo por redes de polidutos: uma abordagem através de algoritmos evolucionários híbridos para um problema triobjetivo

An important problem faced by the oil industry is to distribute multiple oil products through pipelines. Distribution is done in a network composed of refineries (source nodes), storage parks (intermediate nodes), and terminals (demand nodes) interconnected by a set of pipelines transporting oil and derivatives between adjacent areas. Constraints related to storage limits, delivery time, sources availability, sending and receiving limits, among others, must be satisfied. Some researchers deal with this problem under a discrete viewpoint in which the flow in the network is seen as batches sending. Usually, there is no separation device between batches of different products and the losses due to interfaces may be significant. Minimizing delivery time is a typical objective adopted by engineers when scheduling products sending in pipeline networks. However, costs incurred due to losses in interfaces cannot be disregarded. The cost also depends on pumping expenses, which are mostly due to the electricity cost. Since industrial electricity tariff varies over the day, pumping at different time periods have different cost. This work presents an experimental investigation of computational methods designed to deal with the problem of distributing oil derivatives in networks considering three minimization objectives simultaneously: delivery time, losses due to interfaces and electricity cost. The problem is NP-hard and is addressed with hybrid evolutionary algorithms. Hybridizations are mainly focused on Transgenetic Algorithms and classical multi-objective evolutionary algorithm architectures such as MOEA/D, NSGA2 and SPEA2. Three architectures named MOTA/D, NSTA and SPETA are applied to the problem. An experimental study compares the algorithms on thirty test cases. To analyse the results obtained with the algorithms Pareto-compliant quality indicators are used and the significance of the results evaluated with non-parametric statistical tests.

Síntese e reatividade de derivados de quinoxalina visando aplicações como quimiossensores e estudo cinético por análise de imagens

Synthesis of heterocyclic compounds, as quinoxaline derivatives, has being shown to be relevant and promissor due to expressive applications in biological and technological areas. This work was dedicated to the synthesis, characterization and reactivity of quinoxaline derivatives in order to obtain new chemosensors. (L)-Ascorbic acid (1) and 2,3-dichloro-6,7- dinitroquinoxalina (2) were explored as synthetic precursors. Starting from synthesis of 1 and characterization of compounds derived from (L)-ascorbic acid, studies were performed investigating the application of products as chemosensors, in which compound 36 demonstrated selective affinity for Cu2+ íons in methanolic solution, by naked-eye (colorimetric) and UVvisible analyses. Further, initial analysis suggests that 39 a Schiff’s base derived from 36 also presents this feature. Five quinoxaline derivatives were synthesized from building block 2 through nucleophilic aromatic substitution by aliphatic amines, in which controlling the experimental conditions allows to obtain both mono- and di-substituted derivatives. Reactivity studies were carried out with two purposes: i) investigate the possibility of 47 compound being a chemosensor for anion, based on its interaction with sodium hydroxide in DMSO, using image analysis and UV-visible spectroscopy; ii) characterize kinetically the conversion of compound 44 into 46 based on RGB and multivariate image analysis from TLC data, as a simple and inexpensive qualitative and quantitative tool.

Dextranas e seus derivados fosforilados: obtenção e avaliação do potencial antioxidante, imunomodulatório e anticoagulante

Glucans are polysaccharides with different pharmacological and biological activities described. However, there are some reports about the activities of the glucan type α (alpha). In this context, a group of α-D-glucans called dextrans extracted from Leuconostoc mesenteroides bacteria, with molecular weights of 10 (D10), 40 (D40) and 147 (D147) kDa and their phosphorylated derivatives P10, P40 and P147, were evaluated as for their antioxidant, anticoagulant and immunomodulatory potential for the first time, in order to elucidate compounds with potent activities and low toxicity. Infrared spectroscopy analysis, monosaccharide composition and chemical dosages showed that these dextrans are the same polysaccharide, but with different molecular weights, besides confirming the success of phosphorylation. None presented with anticoagulant features. The reducing power test showed that D147 was twice as potent as other dextrans. On the other hand, all six samples showed similar activity (50%) when it came to scavenging the OH radical. To the superoxide ion scavenging, only D10 had a pronounced activity (50%). D40 was the single native dextran that presented with immunomodulatory features since it double stimulated the proliferation of murine macrophages (RAW 264.7) and double the release of nitric oxide by the cells, both in the absence and presence of lipopolysaccharides (LPS). In addition, D40 showed a greater scavenging activity (50%) for the hydrogen peroxide, which caused it to also be the more potent dextran when it came to inhibiting lipid peroxidation (70%). On other hand, P147 showed the highest iron and copper ion chelation activity (~85%). P10 proved be the most effective compound to macrophage proliferation. The results point toward dextrans with a 40 kDa weight as being ideal for antioxidant and immunomodulatory use, could be supplemented with phosphorylated derivatives. However, future studies with the D40 and other similarly dextrans are to confirm this hypothesis.

Novos protocolos teóricos utilizados nos estudos das ligações hidrogênio-hidrogênio, na estabilidade do tetraedrano, seus derivados e das reações de diels-alder e na quantificação da afinidade de fármacos

This thesis was performed in four chapters, at the theoretical level, focused mainly on electronic density. In the first chapter, we have applied an undergraduate minicourse of Diels-Alder reaction in Federal University of Rio Grande do Norte. By using computational chemistry tools students could build the knowledge by themselves and they could associate important aspects of physical-chemistry with Organic Chemistry. In the second chapter, we studied a new type of chemical bond between a pair of identical or similar hydrogen atoms that are close to electrical neutrality, known as hydrogen-hydrogen (H-H) bond. In this study performed with complexed alkanes, provides new and important information about their stability involving this type of interaction. We show that the H-H bond playing a secondary role in the stability of branched alkanes in comparison with linear or less branched isomers. In the third chapter, we study the electronic structure and the stability of tetrahedrane, substituted tetrahedranes and silicon and germanium parents, it was evaluated the substituent effect on the carbon cage in the tetrahedrane derivatives and the results indicate that stronger electron withdrawing groups (EWG) makes the tetrahedrane cage slightly unstable while slight EWG causes a greater instability in the tetrahedrane cage. We showed that the sigma aromaticity EWG and electron donating groups (EDG) results in decrease and increase, respectively, of NICS and D3BIA aromaticity indices. In addition, another factor can be utilized to explain the stability of tetra-tert-butyltetrahedrane as well as HH bond. GVB and ADMP were also used to explain the stability effect of the substituents bonded to the carbon of the tetrahedrane cage. In the fourth chapter, we performed a theoretical investigation of the inhibitory effect of the drug abiraterone (ABE), used in the prostate cancer treatment as CYP17 inhibitor, comparing the interaction energies and electron density of the ABE with the natural substrate, pregnenolone (PREG). Molecular dynamics and docking were used to obtain the CYP1ABE and CYP17-PREG complexes. From molecular dynamics was obtained that the ABE has higher diffusion trend water CYP17 binding site compared to the PREG. With the ONIOM (B3LYP:AMBER) method, we find that the interaction electronic energy of ABE is 21.38 kcal mol-1 more stable than PREG. The results obtained by QTAIM indicate that such stability is due a higher electronic density of interactions between ABE and CYP17

Utilização de peptídeos sintéticos derivados de moléculas imunodominantes de Toxoplasma gondii para diagnóstico sorológico da toxoplasmose em ovinos e galinhas caipiras

Chapter I - The obligate intracellular parasite Toxoplasma gondii is the causative agent of toxoplasmosis, a disease that affects humans and generates economic losses in farm animals. When prevention fails disease refers to the diagnosis and subsequent treatment if the individual is diagnosed as positive. Therefore, the development of new accurate diagnostic tools for detecting T. gondii infection is a need in particular to determine the environmental source of infection which can result in more appropriate public health policies against different routes of infection and prevent potential damage that toxoplasmosis can cause when animals are infected. Chapter II - The domestic chicken (Gallus gallus domesticus) are considered epidemiological sentinels, still representing a major source of recombinant strains when predated by cats, it is common to find them with multiple infections. We evaluate the diagnostic potential of six synthetic peptides (SAG2Y, MIC1, M2AP, GRA10, ROP2 and ROP7) predicted in silico from tachyzoites immunodominant markers of T. gondii in samples from naturally infected chickens, comparing synthetic peptides with antigen total soluble (STAg). In general, our results demonstrated that reactivity rates and positivity for these peptides are similar to the STAg, and the ROP7 peptide and the combination of peptides MIC1+ROP2 have significant sensitivity, confirming them as potential diagnostic tools for the diagnosis of toxoplasmosis in chickens. Chapter III - Sheep (Ovis aries) are commonly infected with Toxoplasma gondii due to his eating habits. Infection in pregnant sheep can have serious consequences such as embryonic death, fetal resorption, mummification, and neonatal death. One concern regarding the infection in these animals is that the meat can be a source of contamination to humans and other carnivores. Therefore perform accurate diagnosis in these animals is of fundamental importance. In the present study we evaluated the potential of new synthetic peptides as a diagnostic tool. Synthetic peptides (SAG2Y, SRS52A, MIC14, GRA4, GRA10 and GRA15) were predicted in silico from immunodominant proteins of T. gondii. We determine the levels of IgG antibodies using sera obtained from two farms in the city of Uberlândia. Analyzing the results together, the peptide combination GRA10+GRA15 (Accuracy = 0,82) showed better characteristics compared with the other mixtures. This preparation could be better analyzed with an antigenic mixture potential use in the diagnosis of toxoplasmosis in sheep and other species.

Notas lexicográficas: extensión semántica de algunos derivados en -τρον y -θρον

Cuatro derivados en -τρον y -θρον se refieren no a un objeto, sino a una persona. Analizo κύκηθρον y τάρακτρον, con especial atención al pasaje de la Paz de Aristófanes, y λαίμαστρον y el plural νώβυστρα, documentados en Herodas.

Alergias a alimentos ou a derivados usados como excipientes em medicamentos

Aditivos químicos têm como principal objetivo melhorar os produtos industrializados, como fármacos, conferindo-lhes cor, aroma, textura, conservação, entre outros. Os aditivos utilizados na indústria farmacêutica são denominados excipientes, completando a massa ou o volume especificado no medicamento. São considerados substâncias inativas, uma vez que não apresentam propriedades curativas ou preventivas de doenças ou dos seus sintomas. No âmbito deste trabalho, foi realizado uma revisão bibliográfica sobre os excipientes naturais e sintéticos mais usados na indústria farmacêutica, agrupando-os mediante a sua função específica. Assim, foi feita uma breve descrição sobre alguns dos excipientes mais utilizados nas formulações farmacêuticas, nomeadamente os antioxidantes, os corantes, os edulcorantes e os conservantes, que visam garantir a conservação do produto em condições viáveis. Uma vez que os excipientes são considerados substâncias inativas, são vistos como inofensivos para a saúde. No entanto, é cada vez mais evidente que os excipientes não são sempre inertes e podem apresentar riscos para o desenvolvimento de reações alérgicas, podendo promover alterações mais prejudiciais. As reações alérgicas associadas aos excipientes são consideradas raras, visto que são incorporadas baixas concentrações destes em formulações farmacêuticas, tendo surgido, no entanto, diversos casos associados aos diferentes excipientes anteriormente referidos. Dependendo do excipiente e da sensibilidade do indivíduo, as alergias podem originar dermatites de contacto, prurido, urticária, edema, reações anafiláticas, entre outros. É importante salientar que o excesso de aditivos pode originar problemas de saúde, normalmente em indivíduos suscetíveis e na população pediátrica, sendo necessário aplicar cuidados adicionais que promovam uma maior vigilância e orientação no uso de medicamentos.

Síntesis fotoquímica de derivados ácidos de fósforo y sus esteres a partir de fósforo elemental blanco

La aplicación consiste en un proceso reactivo fotoquímico solar que usa radiación en el rango del visible para en un solo paso, alto rendimiento y pureza, sintetizar derivados ácidos de fósforo o los ésteres de dichos ácidos a partir del alótropo blanco (P4) del fósforo elemental.

Sistema enzimático y procedimiento para la preparación de d-aminoacidos o derivados de los mismos

La presente invención se refiere a un procedimiento para la preparación de D-aminoácidos o derivados de D-aminoácidos, a partir de mezclas racémicas de D,L-hidantoinas caracterizado por estar constituido por las enzimas hidantoín racemasa, D-hidantoinasa y D-carbomilasa; y a un sistema enzimático de utilidad en dicho procedimiento que cataliza la conversión estereoselectiva de D-5-hidantoina hasta D-aminoácido y la racemización entre los enantiómeros de la misma.

Procedimiento de polimerización de vinil-derivados en solventes inorgánicos y orgánicos

La presente invención se refiere a un procedimiento de polimerización catalizada de vinil-derivados preferentemente vinil-arilos, vinil-alquilos, vinil-éteres, vinil-ésteres y vinil-haluros en diferentes condiciones ambientales tales como empleo de aire o atmósfera inerte, presión próxima a la atmosférica, temperaturas cercanas a la temperatura ambiente y en todo tipo de solventes, tanto orgánicos como inorgánicos

Efecto de derivados de cobertura de moneda en el valor de las empresas no financieras

La presente investigación estudia a través de un análisis cuantitativo el efecto del uso de derivados de cobertura de moneda en el valor de las firmas no financieras. La muestra está conformada por 51 empresas que cotizan en la Bolsa de Valores de Lima (BVL) y que reportan la posición de descalce de moneda no funcional en los estados financieros, para el periodo del primer trimestre del 2007 al segundo trimestre del 2015. Utilizando un modelo con datos de panel con estimación de efectos fijos se encontró evidencia que el uso de derivados tiene un efecto positivo sobre el valor de las empresas, para ello se utilizó como variable dependiente a la Q de Tobin como proxy del valor de la empresa, y como variable independiente relacionada al uso de derivados se utilizó una variable inédita, no considerada en investigaciones anteriores, que es el peso relativo de la posición neta de derivados de moneda sobre la posición de descalce de balance. También se incorporaron variables de control como tamaño de la empresa, apalancamiento, rentabilidad, entre otras.

El complejo régimen que disciplina la responsabilidad civil por daños derivados del acoso escolar

El acoso escolar en todas sus manifestaciones (directas e indirectas) encaja y puede ser penado conforme a diversos tipos delictivos que, además del reproche criminal que merecen, conforme a la legislación penal del menor, producen un daño efectivo, que nadie tiene obligación de soportar (menos un menor de edad); por lo que ese daño, injustamente causado, da lugar al nacimiento de la correspondiente responsabilidad civil. Sin embargo, en nuestro ordenamiento jurídico coexisten una pluralidad de regímenes jurídicos «injustificables» que disciplinan una misma realidad jurídica en materia de Derecho de daños. Nuestro trabajo analiza, el distinto régimen regulador de la responsabilidad civil, en función del tramo de edad del menor y en función de si la legislación a aplicar es la civil (menores de 14 años) o la derivada de la LORPM (14 a 18 años). Diferencias sustantivas y procesales también, en función de si el hecho ilícito causante del daño y en que se subsumen las conductas de acoso escolar o ciberacoso está o no tipificado penalmente (ilícito penal o ilícito civil). Lo que, como se ha dicho, dará lugar a la aplicación de regímenes jurídicos diferenciados y a órdenes jurisdiccionales distintos (civil, contencioso y jurisdicción de menores) para su enjuiciamiento; ya sea condenado el Centro docente (público, privado o concertado), la propia Administración Educativa o los padres del menor o menores infractores. De ello nos ocupamos para clarificar la cuestión aportando las soluciones que adoptan los Tribunales.

Diseño de un fondo de inversión colectiva basado en derivados energéticos

El propósito de este trabajo de grado es diseñar un fondo de inversión colectiva donde los activos predominantes sean derivados energéticos -- Lo anterior, ajustado al marco normativo expedido por el Ministerio de Hacienda en 2013 -- Para su diseño se estudiará el comportamiento de los derivados energéticos en el principal mercado de futuros: New York Mercantile Exchange y Derivex, que es el mercado de derivados de commodities energéticos en Colombia -- Se recopilarán datos a través de una consulta histórica en diferentes sistemas de información, como Bloomberg y Derivex -- Recopilada y analizada la información en referencia, se determinará la composición del portafolio que se ajuste a las necesidades del mercado colombiano y se desarrollarán pruebas y modelos estadísticos para medir los riesgos financieros -- Finalmente, la investigación y el trabajo de campo se presentan en un informe donde se exponen las características que debe tener un fondo de inversión concentrado en derivados energéticos

Análisis de la comercialización intrarregional centroamericana de derivados lácteos nicaraguenses, 2003 - 2014

El sector lácteo es de gran importancia como aportador a la economía del país. Es un gran generador de empleos en el que participan pequeños, medianos y grandes productores a través de inversiones significativas con presencia en todo el país. La investigación realizada es cuantitativa, no experimental basada en una metodología de análisis de indicadores de competitividad internacional de productos lácteos. El trabajo realizado tiene como objetivos: Determinar la capacidad de producción de derivados lácteos nicaragüenses, según las exigencias del mercado externo; identificar la participación de las exportaciones e importación nicaragüense de derivados lácteos en comparación con sus competidores de la región centroamericana y determinar los indicadores de competitividad de estos productos en el mismo mercado. Las fuentes de información fueron principalmente bases de datos en línea de la Organización de las Naciones Unidas para la Agricultura (FAO), Secretaría de Integración Económica Centroamericana (SIECA) y la Base de datos del Banco Central de Nicaragua. Los principales hallazgos indican que Nicaragua ha mantenido el primer lugar en la explotación ganadera en el período 2003-2014, colocándose como un productor de leche por excelencia, pese a esto, es el país que tiene los rendimientos de producción más bajos en la región. El Salvador es el mayor importador neto de derivados lácteos de la región, siendo éste el mayor socio comercial de Nicaragua. Los indicadores de competitividad analizados permitieron comparar el desempeño comercial de los derivados lácteos de Nicaragua, determinando que este país tiene una vocación exportadora en el mercado intrarregional centroamericano.