Transformações biológicas: contribuições e perspectivas

In a moment that amazingly advances are being reached on the development of technologies to obtain high value chemical compounds as polymers, fine chemicals, pharmaceutical industry intermediates and chemical entities, we cannot refuse that a meaningful progress is due to the maturing in knowledge of biological transformations. Biocatalysis and biotransformations are being widespread applied to generate processes and products with incredible success. In this review article we present the main contributions of biotechnology and biological catalytic processes to Chemistry, the most important evolution steps on enzymatic transformations, how it has being applied and which are the perspectives to academic and industrial environments. We also would like to stimulate the community to step out research in biotechnology applicable to chemical and pharmaceutical industries, trying to achieve what we believe to be the ideal layout: integrating chemical transformations, enzymatic conversions and fermentation processes.

Introducción de la metodología análisis modal de fallos y efectos (AMFE) como herramienta de gestión en una ese del distrito capital de II nivel

El presente trabajo expone la elaboración de un proceso sistemático para la identificación y clasificación de modos de fallo utilizando la metodología ANÁLISIS MODAL DE FALLOS Y EFECTOS (AMFE), como un procedimiento de gran utilidad para mejorar la calidad y seguridad de la prestación de servicios asistenciales. Se analizaron 254 modos de fallo, en el servicio de urgencias de una ESE de II Nivel del Distrito Capital, se utilizó una herramienta de selección de procesos denominada Matriz de Priorización utilizada por el Centro de Gestión Hospitalaria con algunas adaptaciones de acuerdo con las necesidades institucionales. Se calificaron 227 de ellos correspondiendo a un 89,37%. Se entrevistaron 48 médicos, 27 enfermeras, 27 auxiliares de enfermería y 9 camilleros, para un total de 111 colaboradores que corresponden al 30% del total del personal del servicio de urgencias. Se generó una hoja de control de calidad (aceptación) del ejercicio con un porcentaje total del 85%, teniendo como resultado que 102 personas de las 111 encuestadas, diligenciaron correctamente la totalidad de los campos del formato AMFE. Se buscó Implementar el uso de la metodología AMFE como herramienta de gestión y mejora de procesos institucionales, realizando una prueba piloto al proceso seleccionado y evaluando si esta metodología se podía aplicar a otros procesos asistenciales. Se observó que de la totalidad de los modos de fallo el mayor valor de criticidad se encontró en el rango de 45 puntos. Se determinaron 11 modos de fallos en esta categoría, los cuales se encuentran dos asociados dos están asociados con el acceso del paciente a la institución, siete relacionados con el Registro e Ingreso del usuario, uno relacionado con la planeación de la atención y dos relacionados con la ejecución del tratamiento. Palabras claves: Análisis Modal De Fallos y Efectos (AMFE), urgencias, mejora continua.

Aproximación a la optimización en la planeación y gestión en organizaciones públicas bajo la Teoría de Restricciones (TOC) - caso de estudio - CRC

La gestión pública, tradicionalmente percibida como burocrática e ineficiente, tiende a evolucionar hacia modelos basados en la Nueva Gerencia Pública y el Gobierno Electrónico, que propenden por acercar los Estados a los ciudadanos y desarrollar con mayor eficiencia las actividades operativas a su cargo. En forma paralela, la Teoría de Restricciones, primordialmente aplicada a procesos productivos, busca optimizar los mismos para maximizar los resultados de las empresas, disponiendo de metodologías y herramientas de propósito específico. ¿Es posible entonces optimizar la operatividad de una entidad pública a través del uso de la TOC?. Mediante el presente trabajo se busca dar respuesta a este interrogante, a partir de las aproximaciones teóricas pertinentes y de su aplicación al caso particular de la CRC, entidad pública a cargo de la regulación sectorial de las Tecnologías de la Información y las Comunicaciones en Colombia.

Cybernetics – the modern science of systems

This article has been written in memory of Norbert Wiener and is dedicated to him. Takes a look at how cybernetics provides an extremely useful framework for the control and operation of real-world systems. With the true advent of computers and simple communications, many more processes can and will be viewed from a systems standpoint. Examples are given of how cybernetics can be applied to industrial processes and how it is seen as an important, integral part of future systems science.

governo eletrônico como propiciador da reforma do estado: o caso do leilão reverso na web para licitação pública

A presente dissertação versa sobre o uso da Tecnologia da Informação e Comunicação aplicada aos processos de gestão pública à luz dos conceitos de eficácia, eficiência e accountabítlity. Para tanto, este estudo se funda sobre dois marcos teóricos. O primeiro trata do desenvolvimento científico-tecnológico e suas implicações na construção de uma sociedade resultante da interação da microeletrônica, da informatização e da telecomunicação. O segundo diz respeito à reforma do Estado Brasileiro, num contexto em que se discute a necessidade de torná-lo mais ágil, flexível e mais responsável perante a sociedade. Metodologicamente, valemo-nos do estudo de caso múltiplo, no qual analisamos o Pregão Eletrônico utilizado pelo Governo Federal para aquisição de bens e serviços nos moldes do leilão reverso do mercado de flores de Amsterdã. Especificamente, trata-se do Pregão 21/2001, realizado pelo Ministério da Previdência e Assistência Social, para compra de medicamentos. Este estudo contempla não só os diferentes aspectos do comércio eletrônico, como o procurement, mas também descreve o processo tradicional de licitações públicas. Ao final, concluímos que a adoção da tecnologia da informação aplicada à gestão pública, em especial como ferramenta para aquisição de bens e serviços, mostrouse eficiente ao promover uma redução de custos, tanto dos processos governamentais, quanto dos produtos adquiridos, fato extremamente relevante se considerarmos a realidade orçamentária brasileira. Ficou também comprovada a sua eficácia, evidenciada pela redução do tempo necessário à realização do procedimento, uma vez comparado ao processo tradicional de licitações pública. Por outro lado, podemos afirmar que a iniciativa amplia o grau de transparência das informações do setor público brasileiro, reconfigurando as relações EstadoSociedade.

O efeito dos gastos em pesquisa e desenvolvimento nas ações das empresas petrolíferas

Este trabalho tem objetivo de identificar a relação dos gastos em P&D com os preços das ações das empresas petrolíferas integradas negociadas na NYSE. O retorno do investimento em pesquisa e desenvolvimento ocorre quando o resultado da pesquisa é aplicado aos processos produtivos, gerando assim eficiência operacional, diminuição de custos e novos produtos. Este fato pode ser considerado um canal que influencia o valor da ação. Considerando que o P&D é um investimento de longo prazo, o P&D contemporâneo, suas defasagens e o acumulado anual foram analisados. Os resultados apontaram uma relação positiva entre os gastos em P&D e o valor das ações. Em relação às defasagens, foi identificado que o valor das ações é melhor explicado quando as defasagens do P&D são utilizadas. Além disso, a relação positiva tornou-se estatisticamente significante quando os gastos de cinco anos acumulados foram utilizados. Isto confirma o caráter de longo prazo deste tipo de gasto.

Origami científico: a linguagem das dobraduras dentro do design contemporâneo

After crossing several generations and countries, broader functions are being incorporated to origami than simply making art objects: the fold initiates a series of new buildings within the design and creation. Under the new repre- sentations and performances that the art of paper folding keeps, this article aims to investigate how the origami is configured nowadays and how it behaves while contemporary language applied to projective processes of diverse natures. To better understand the actual origami, relations are used inside branch of math, conceptual and projectual. Relating theorists, artists, designers, etc., can point out the relevance of each of these areas in the configuration of cientific and projectual origami. The modularity, the collective, the conscious build, the contemporary and the inno- vation are relationships intrinsic to the praxis projectual that shape a landscape adjacent and subordinate to the main structure governing. It bets on the essence of origami as a tangible functionality for creative thinking.

Retrofit of heat exchanger networks with pressure recovery of process streams at sub-ambient conditions

This paper presents a new mathematical programming model for the retrofit of heat exchanger networks (HENs), wherein the pressure recovery of process streams is conducted to enhance heat integration. Particularly applied to cryogenic processes, HENs retrofit with combined heat and work integration is mainly aimed at reducing the use of expensive cold services. The proposed multi-stage superstructure allows the increment of the existing heat transfer area, as well as the use of new equipment for both heat exchange and pressure manipulation. The pressure recovery of streams is carried out simultaneously with the HEN design, such that the process conditions (streams pressure and temperature) are variables of optimization. The mathematical model is formulated using generalized disjunctive programming (GDP) and is optimized via mixed-integer nonlinear programming (MINLP), through the minimization of the retrofit total annualized cost, considering the turbine and compressor coupling with a helper motor. Three case studies are performed to assess the accuracy of the developed approach, including a real industrial example related to liquefied natural gas (LNG) production. The results show that the pressure recovery of streams is efficient for energy savings and, consequently, for decreasing the HEN retrofit total cost especially in sub-ambient processes.

Business process quantitative analysis and optimization for service industries

The total time a customer spends in the business process system, called the customer cycle-time, is a major contributor to overall customer satisfaction. Business process analysts and designers are frequently asked to design process solutions with optimal performance. Simulation models have been very popular to quantitatively evaluate the business processes; however, simulation is time-consuming and it also requires extensive modeling experiences to develop simulation models. Moreover, simulation models neither provide recommendations nor yield optimal solutions for business process design. A queueing network model is a good analytical approach toward business process analysis and design, and can provide a useful abstraction of a business process. However, the existing queueing network models were developed based on telephone systems or applied to manufacturing processes in which machine servers dominate the system. In a business process, the servers are usually people. The characteristics of human servers should be taken into account by the queueing model, i.e. specialization and coordination. ^ The research described in this dissertation develops an open queueing network model to do a quick analysis of business processes. Additionally, optimization models are developed to provide optimal business process designs. The queueing network model extends and improves upon existing multi-class open-queueing network models (MOQN) so that the customer flow in the human-server oriented processes can be modeled. The optimization models help business process designers to find the optimal design of a business process with consideration of specialization and coordination. ^ The main findings of the research are, first, parallelization can reduce the cycle-time for those customer classes that require more than one parallel activity; however, the coordination time due to the parallelization overwhelms the savings from parallelization under the high utilization servers since the waiting time significantly increases, thus the cycle-time increases. Third, the level of industrial technology employed by a company and coordination time to mange the tasks have strongest impact on the business process design; as the level of industrial technology employed by the company is high; more division is required to improve the cycle-time; as the coordination time required is high; consolidation is required to improve the cycle-time. ^

Otimização dos parâmetros de um modelo de bomba em sistemas de bombeio centrífugo submerso

One of several techniques applied to production processes oil is the artificial lift, using equipment in order to reduce the bottom hole pressure, providing a pressure differential, resulting in a flow increase. The choice of the artificial lift method depends on a detailed analysis of the some factors, such as initial costs of installation, maintenance, and the existing conditions in the producing field. The Electrical Submersible Pumping method (ESP) appears to be quite efficient when the objective is to produce high liquid flow rates in both onshore and offshore environments, in adverse conditions of temperature and in the presence of viscous fluids. By definition, ESP is a method of artificial lift in which a subsurface electric motor transforms electrical into mechanical energy to trigger a centrifugal pump of multiple stages, composed of a rotating impeller (rotor) and a stationary diffuser (stator). The pump converts the mechanical energy of the engine into kinetic energy in the form of velocity, which pushes the fluid to the surface. The objective of this work is to implement the optimization method of the flexible polyhedron, known as Modified Simplex Method (MSM) applied to the study of the influence of the modification of the input and output parameters of the centrifugal pump impeller in the channel of a system ESP. In the use of the optimization method by changing the angular parameters of the pump, the resultant data applied to the simulations allowed to obtain optimized values of the Head (lift height), lossless efficiency and the power with differentiated results.

Voltammetric quantification of fluoxetine: application to quality control and quality assurance processes

The oxidative behaviour of fluoxetine was studied at a glassy carbon electrode in various buffer systems and at different pH using cyclic, differential pulse and square wave voltammetry. A new square wave voltammetric method suitable for the quality control of fluoxetine in commercial formulations has been developed using a borate pH 9 buffer solution as supporting electrolyte. Under optimized conditions, a linear response was obtained in the range 10 to 16 μM with a detection limit of 1.0 μM. Validation parameters such as sensitivity, precision and accuracy were evaluated. The proposed method was successfully applied to the determination of fluoxetine in pharmaceutical formulations. The results were statistically compared with those obtained by the reference high-performance liquid chromatographic method. No significant differences were found between the methods.

SIMSAFADIM-CLASTIC: A new approach to mathematical 3D forward simulation modelling for terrigenous and carbonate marine sedimentation

Most sedimentary modelling programs developed in recent years focus on either terrigenous or carbonate marine sedimentation. Nevertheless, only a few programs have attempted to consider mixed terrigenous-carbonate sedimentation, and most of these are two-dimensional, which is a major restriction since geological processes take place in 3D. This paper presents the basic concepts of a new 3D mathematical forward simulation model for clastic sediments, which was developed from SIMSAFADIM, a previous 3D carbonate sedimentation model. The new extended model, SIMSAFADIM-CLASTIC, simulates processes of autochthonous marine carbonate production and accumulation, together with clastic transport and sedimentation in three dimensions of both carbonate and terrigenous sediments. Other models and modelling strategies may also provide realistic and efficient tools for prediction of stratigraphic architecture and facies distribution of sedimentary deposits. However, SIMSAFADIM-CLASTIC becomes an innovative model that attempts to simulate different sediment types using a process-based approach, therefore being a useful tool for 3D prediction of stratigraphic architecture and facies distribution in sedimentary basins. This model is applied to the neogene Vallès-Penedès half-graben (western Mediterranean, NE Spain) to show the capacity of the program when applied to a realistic geologic situation involving interactions between terrigenous clastics and carbonate sediments.

SIMSAFADIM-CLASTIC: A new approach to mathematical 3D forward simulation modelling for terrigenous and carbonate marine sedimentation

Most sedimentary modelling programs developed in recent years focus on either terrigenous or carbonate marine sedimentation. Nevertheless, only a few programs have attempted to consider mixed terrigenous-carbonate sedimentation, and most of these are two-dimensional, which is a major restriction since geological processes take place in 3D. This paper presents the basic concepts of a new 3D mathematical forward simulation model for clastic sediments, which was developed from SIMSAFADIM, a previous 3D carbonate sedimentation model. The new extended model, SIMSAFADIM-CLASTIC, simulates processes of autochthonous marine carbonate production and accumulation, together with clastic transport and sedimentation in three dimensions of both carbonate and terrigenous sediments. Other models and modelling strategies may also provide realistic and efficient tools for prediction of stratigraphic architecture and facies distribution of sedimentary deposits. However, SIMSAFADIM-CLASTIC becomes an innovative model that attempts to simulate different sediment types using a process-based approach, therefore being a useful tool for 3D prediction of stratigraphic architecture and facies distribution in sedimentary basins. This model is applied to the neogene Vallès-Penedès half-graben (western Mediterranean, NE Spain) to show the capacity of the program when applied to a realistic geologic situation involving interactions between terrigenous clastics and carbonate sediments.

Toxicity screenings of nanomaterials: challenges due to interference with assay processes and components of classic in vitro tests.

Given the multiplicity of nanoparticles (NPs), there is a requirement to develop screening strategies to evaluate their toxicity. Within the EU-funded FP7 NanoTEST project, a panel of medically relevant NPs has been used to develop alternative testing strategies of NPs used in medical diagnostics. As conventional toxicity tests cannot necessarily be directly applied to NPs in the same manner as for soluble chemicals and drugs, we determined the extent of interference of NPs with each assay process and components. In this study, we fully characterized the panel of NP suspensions used in this project (poly(lactic-co-glycolic acid)-polyethylene oxide [PLGA-PEO], TiO2, SiO2, and uncoated and oleic-acid coated Fe3O4) and showed that many NP characteristics (composition, size, coatings, and agglomeration) interfere with a range of in vitro cytotoxicity assays (WST-1, MTT, lactate dehydrogenase, neutral red, propidium iodide, (3)H-thymidine incorporation, and cell counting), pro-inflammatory response evaluation (ELISA for GM-CSF, IL-6, and IL-8), and oxidative stress detection (monoBromoBimane, dichlorofluorescein, and NO assays). Interferences were assay specific as well as NP specific. We propose how to integrate and avoid interference with testing systems as a first step of a screening strategy for biomedical NPs.

Beyond simple proton transfer processes: domino reactions between 4-substituted indoles and nitroethene as a new gateway to ergot alkaloids

The multimodal biology activity of ergot alkaloids is known by humankind since middle ages. Synthetically modified ergot alkaloids are used for the treatment of various medical conditions. Despite the great progress in organic syntheses, the total synthesis of ergot alkaloids remains a great challenge due to the complexity of their polycyclic structure with multiple stereogenic centres. This project has developed a new domino reaction between indoles bearing a Michael acceptor at the 4 position and nitroethene, leading to potential ergot alkaloid precursors in highly enantioenriched form. The reaction was optimised and applied to a large variety of substrate with good results. Even if unfortunately all attempts to further modify the obtained polycyclic structure failed, it was found a reaction able to produce the diastereoisomer of the polycyclic product in excellent yields. The compounds synthetized were characterized by NMR and ESIMS analysis confirming the structure and their enantiomeric excess was determined by chiral stationary phase HPLC. The mechanism of the reaction was evaluated by DFT calculations, showing the formation of a key bicoordinated nitronate intermediate, and fully accounting for the results observed with all substrates. The relative and absolute configuration of the adducts were determined by a combination of NMR, ECD and computational methods.