Obtenção de sistemas microemulsionados e estudo de simulação por dinâmica molecular de sistemas micelares objetivando a veiculação de produtos naturais bioativos

Among the new drugs launched into the market since 1980, up to 30% of them belong to the class of natural products or they have semisynthetic origin. Between 40-70% of the new chemical entities (or lead compounds) possess poor water solubility, which may impair their commercial use. An alternative for administration of poorly water-soluble drugs is their vehiculation into drug delivery systems like micelles, microemulsions, nanoparticles, liposomes, and cyclodextrin systems. In this work, microemulsion-based drug delivery systems were obtained using pharmaceutically acceptable components: a mixture Tween 80 and Span 20 in ratio 3:1 as surfactant, isopropyl mirystate or oleic acid as oil, bidistilled water, and ethanol, in some formulations, as cosurfactants. Self-Microemulsifying Drug Delivery Systems (SMEDDS) were also obtained using propylene glycol or sorbitol as cosurfactant. All formulations were characterized for rheological behavior, droplet size and electrical conductivity. The bioactive natural product trans-dehydrocrotonin, as well some extracts and fractions from Croton cajucara Benth (Euphorbiaceae), Anacardium occidentale L. (Anacardiaceae) e Phyllanthus amarus Schum. & Thonn. (Euphorbiaceae) specimens, were satisfactorily solubilized into microemulsions formulations. Meanwhile, two other natural products from Croton cajucara, trans-crotonin and acetyl aleuritolic acid, showed poor solubility in these formulations. The evaluation of the antioxidant capacity, by DPPH method, of plant extracts loaded into microemulsions evidenced the antioxidant activity of Phyllanthus amarus and Anacardium occidentale extracts. For Phyllanthus amarus extract, the use of microemulsions duplicated its antioxidant efficiency. A hydroalcoholic extract from Croton cajucara incorporated into a SMEDDS formulation showed bacteriostatic activity against colonies of Bacillus cereus and Escherichia coli bacteria. Additionally, Molecular Dynamics simulations were performed using micellar systems, for drug delivery systems, containing sugar-based surfactants, N-dodecylamino-1-deoxylactitol and N-dodecyl-D-lactosylamine. The computational simulations indicated that micellization process for N-dodecylamino-1- deoxylactitol is more favorable than N-dodecyl-D-lactosylamine system.

Caracterização química e toxicológica da água produzida descartada em plataformas de óleo e gás na costa brasileira e seu comportamento dispersivo no mar

The production of oil and gas is usually accompanied by the production of water, also known as produced water. Studies were conducted in platforms that discharge produced water in the Atlantic Ocean due to oil and gas production by Petrobras from 1996 to 2006 in the following basins: Santos (Brazilian south region), Campos (Brazilian southeast region) and Ceara (Brazilian northeast region). This study encompasses chemical composition, toxicological effects, discharge volumes, and produced water behavior after releasing in the ocean, including dispersion plumes modeling and monitoring data of the marine environment. The concentration medians for a sampling of 50 samples were: ammonia (70 mg L-1), boron (1.3 mg L1), iron (7.4 mg L-1), BTEX (4.6 mg L-1), PAH (0.53 mg L-1), TPH (28 mg L-1); phenols (1.3 mg L-1) and radioisotopes (0.15 Bq L-1 for 226Ra and 0.09 Bq L-1 for 228Ra). The concentrations of the organic and inorganic parameters observed for the Brazilian platforms were similar to the international reference data for the produced water in the North Sea and in other regions of the world. It was found significant differences in concentrations of the following parameters: BTEX (p<0.0001), phenols (p=0.0212), boron (p<0.0001), iron (p<0.0001) and toxicological response in sea urchin Lytechinus variegatus (p<0.0001) when considering two distinguished groups, platforms from southeast and northeast Region (PCR-1). Significant differences were not observed among the other parameters. In platforms with large gas production, the monoaromatic concentrations (BTEX from 15.8 to 21.6 mg L-1) and phenols (from 2 to 83 mg L-1) were higher than in oil plataforms (median concentrations of BTEX were 4.6 mg L-1 for n=53, and of phenols were 1.3 mg L-1 for n=46). It was also conducted a study about the influence of dispersion plumes of produced water in the vicinity of six platforms of oil and gas production (P-26, PPG-1, PCR-1, P-32, SS-06), and in a hypothetical critical scenario using the chemical characteristics of each effluent. Through this study, using CORMIX and CHEMMAP models for dispersion plumes simulation of the produced water discharges, it was possible to obtain the dilution dimension in the ocean after those discharges. The dispersion plumes of the produced water modelling in field vicinity showed dilutions of 700 to 900 times for the first 30-40 meters from the platform PCR-1 discharge point; 100 times for the platform P-32, with 30 meters of distance; 150 times for the platform P-26, with 40 meters of distance; 100 times for the platform PPG-1, with 130 meters of distance; 280 to 350 times for the platform SS-06, with 130 meters of distance, 100 times for the hypothetical critical scenario, with the 130 meters of distance. The dilutions continue in the far field, and with the results of the simulations, it was possible to verify that all the parameters presented concentrations bellow the maximum values established by Brazilian legislation for seawater (CONAMA 357/05 - Class 1), before the 500 meters distance of the discharge point. These results were in agreement with the field measurements. Although, in general results for the Brazilian produced water presented toxicological effects for marine organisms, it was verified that dilutions of 100 times were sufficient for not causing toxicological responses. Field monitoring data of the seawater around the Pargo, Pampo and PCR-1 platforms did not demonstrate toxicity in the seawater close to these platforms. The results of environmental monitoring in seawater and sediments proved that alterations were not detected for environmental quality in areas under direct influence of the oil production activities in the Campos and Ceara Basin, as according to results obtained in the dispersion plume modelling for the produced water discharge

Caracterização química e toxicológica da água produzida descartada em plataformas de óleo e gás na costa brasileira e seu comportamento dispersivo no mar

The production of oil and gas is usually accompanied by the production of water, also known as produced water. Studies were conducted in platforms that discharge produced water in the Atlantic Ocean due to oil and gas production by Petrobras from 1996 to 2006 in the following basins: Santos (Brazilian south region), Campos (Brazilian southeast region) and Ceara (Brazilian northeast region). This study encompasses chemical composition, toxicological effects, discharge volumes, and produced water behavior after releasing in the ocean, including dispersion plumes modeling and monitoring data of the marine environment. The concentration medians for a sampling of 50 samples were: ammonia (70 mg L-1), boron (1.3 mg L1), iron (7.4 mg L-1), BTEX (4.6 mg L-1), PAH (0.53 mg L-1), TPH (28 mg L-1); phenols (1.3 mg L-1) and radioisotopes (0.15 Bq L-1 for 226Ra and 0.09 Bq L-1 for 228Ra). The concentrations of the organic and inorganic parameters observed for the Brazilian platforms were similar to the international reference data for the produced water in the North Sea and in other regions of the world. It was found significant differences in concentrations of the following parameters: BTEX (p<0.0001), phenols (p=0.0212), boron (p<0.0001), iron (p<0.0001) and toxicological response in sea urchin Lytechinus variegatus (p<0.0001) when considering two distinguished groups, platforms from southeast and northeast Region (PCR-1). Significant differences were not observed among the other parameters. In platforms with large gas production, the monoaromatic concentrations (BTEX from 15.8 to 21.6 mg L-1) and phenols (from 2 to 83 mg L-1) were higher than in oil plataforms (median concentrations of BTEX were 4.6 mg L-1 for n=53, and of phenols were 1.3 mg L-1 for n=46). It was also conducted a study about the influence of dispersion plumes of produced water in the vicinity of six platforms of oil and gas production (P-26, PPG-1, PCR-1, P-32, SS-06), and in a hypothetical critical scenario using the chemical characteristics of each effluent. Through this study, using CORMIX and CHEMMAP models for dispersion plumes simulation of the produced water discharges, it was possible to obtain the dilution dimension in the ocean after those discharges. The dispersion plumes of the produced water modelling in field vicinity showed dilutions of 700 to 900 times for the first 30-40 meters from the platform PCR-1 discharge point; 100 times for the platform P-32, with 30 meters of distance; 150 times for the platform P-26, with 40 meters of distance; 100 times for the platform PPG-1, with 130 meters of distance; 280 to 350 times for the platform SS-06, with 130 meters of distance, 100 times for the hypothetical critical scenario, with the 130 meters of distance. The dilutions continue in the far field, and with the results of the simulations, it was possible to verify that all the parameters presented concentrations bellow the maximum values established by Brazilian legislation for seawater (CONAMA 357/05 - Class 1), before the 500 meters distance of the discharge point. These results were in agreement with the field measurements. Although, in general results for the Brazilian produced water presented toxicological effects for marine organisms, it was verified that dilutions of 100 times were sufficient for not causing toxicological responses. Field monitoring data of the seawater around the Pargo, Pampo and PCR-1 platforms did not demonstrate toxicity in the seawater close to these platforms. The results of environmental monitoring in seawater and sediments proved that alterations were not detected for environmental quality in areas under direct influence of the oil production activities in the Campos and Ceara Basin, as according to results obtained in the dispersion plume modelling for the produced water discharge

Uma linguagem de modelagem da interação para auxiliar a comunicação designer-usuário

The development of interactive systems involves several professionals and the integration between them normally uses common artifacts, such as models, that drive the development process. In the model-driven development approach, the interaction model is an artifact that includes the most of the aspects related to what and how the user can do while he/she interacting with the system. Furthermore, the interactive model may be used to identify usability problems at design time. Therefore, the central problematic addressed by this thesis is twofold. In the first place, the interaction modeling, in a perspective that helps the designer to explicit to developer, who will implement the interface, the aspcts related to the interaction process. In the second place, the anticipated identification of usability problems, that aims to reduce the application final costs. To achieve these goals, this work presents (i) the ALaDIM language, that aims to help the designer on the conception, representation and validation of his interactive message models; (ii) the ALaDIM editor, which was built using the EMF (Eclipse Modeling Framework) and its standardized technologies by OMG (Object Management Group); and (iii) the ALaDIM inspection method, which allows the anticipated identification of usability problems using ALaDIM models. ALaDIM language and editor were respectively specified and implemented using the OMG standards and they can be used in MDA (Model Driven Architecture) activities. Beyond that, we evaluated both ALaDIM language and editor using a CDN (Cognitive Dimensions of Notations) analysis. Finally, this work reports an experiment that validated the ALaDIM inspection method

Visual IMML: um perfil UML para a modelagem de interfaces de usuário

The software development processes proposed by the most recent approaches in Software Engineering make use old models. UML was proposed as the standard language for modeling. The user interface is an important part of the software and has a fundamental importance to improve its usability. Unfortunately the standard UML does not offer appropriate resources to model user interfaces. Some proposals have already been proposed to solve this problem: some authors have been using models in the development of interfaces (Model Based Development) and some proposals to extend UML have been elaborated. But none of them considers the theoretical perspective presented by the semiotic engineering, that considers that, through the system, the designer should be able to communicate to the user what he can do, and how to use the system itself. This work presents Visual IMML, an UML Profile that emphasizes the aspects of the semiotic engineering. This Profile is based on IMML, that is a declarative textual language. The Visual IMML is a proposal that aims to improve the specification process by using a visual modeling (using diagrams) language. It proposes a new set of modeling elements (stereotypes) specifically designed to the specification and documentation of user interfaces, considering the aspects of communication, interaction and functionality in an integrated manner

Simulação de reservatórios de petróleo em ambiente MPSoC

The constant increase of complexity in computer applications demands the development of more powerful hardware support for them. With processor's operational frequency reaching its limit, the most viable solution is the use of parallelism. Based on parallelism techniques and the progressive growth in the capacity of transistors integration in a single chip is the concept of MPSoCs (Multi-Processor System-on-Chip). MPSoCs will eventually become a cheaper and faster alternative to supercomputers and clusters, and applications developed for these high performance systems will migrate to computers equipped with MP-SoCs containing dozens to hundreds of computation cores. In particular, applications in the area of oil and natural gas exploration are also characterized by the high processing capacity required and would benefit greatly from these high performance systems. This work intends to evaluate a traditional and complex application of the oil and gas industry known as reservoir simulation, developing a solution with integrated computational systems in a single chip, with hundreds of functional unities. For this, as the STORM (MPSoC Directory-Based Platform) platform already has a shared memory model, a new distributed memory model were developed. Also a message passing library has been developed folowing MPI standard

AutoWebS: um Ambiente para Modelagem e Geração Automática de ServiçosWeb Semânticos

Typically Web services contain only syntactic information that describes their interfaces. Due to the lack of semantic descriptions of the Web services, service composition becomes a difficult task. To solve this problem, Web services can exploit the use of ontologies for the semantic definition of service s interface, thus facilitating the automation of discovering, publication, mediation, invocation, and composition of services. However, ontology languages, such as OWL-S, have constructs that are not easy to understand, even for Web developers, and the existing tools that support their use contains many details that make them difficult to manipulate. This paper presents a MDD tool called AutoWebS (Automatic Generation of Semantic Web Services) to develop OWL-S semantic Web services. AutoWebS uses an approach based on UML profiles and model transformations for automatic generation of Web services and their semantic description. AutoWebS offers an environment that provides many features required to model, implement, compile, and deploy semantic Web services

LWiSSy: uma linguagem específica de domínio para modelagem de sistemas de redes de sensores e atuadores sem fio

The field of Wireless Sensor and Actuator Networks (WSAN) is fast increasing and has attracted the interest of both the research community and the industry because of several factors, such as the applicability of such networks in different application domains (aviation, civil engineering, medicine, and others). Moreover, advances in wireless communication and the reduction of hardware components size also contributed for a fast spread of these networks. However, there are still several challenges and open issues that need to be tackled in order to achieve the full potential of WSAN usage. The development of WSAN systems is one of the most relevant of these challenges considering the number of variables involved in this process. Currently, a broad range of WSAN platforms and low level programming languages are available to build WSAN systems. Thus, developers need to deal with details of different sensor platforms and low-level programming abstractions of sensor operational systems on one hand, and they also need to have specific (high level) knowledge about the distinct application domains, on the other hand. Therefore, in order to decouple the handling of these two different levels of knowledge, making easier the development process of WSAN systems, we propose LWiSSy (Domain Language for Wireless Sensor and Actuator Networks Systems), a domain specific language (DSL) for WSAN. The use of DSLs raises the abstraction level during the programming of systems and modularizes the system building in several steps. Thus, LWiSSy allows the domain experts to directly contribute in the development of WSANs without having knowledge on low level sensor platforms, and network experts to program sensor nodes to meet application requirements without having specific knowledge on the application domain. Additionally, LWiSSy enables the system decomposition in different levels of abstraction according to structural and behavioral features and granularities (network, node group and single node level programming)

Modelagem de arquiteturas reconfiguráveis com espaços de Chu

The Reconfigurables Architectures had appeares as an alternative to the ASICs and the GGP, keeping a balance between flexibility and performance. This work presents a proposal for the modeling of Reconfigurables with Chu Spaces, describing the subjects main about this thematic. The solution proposal consists of a modeling that uses a generalization of the Chu Spaces, called of Chu nets, to model the configurations of a Reconfigurables Architectures. To validate the models, three algorithms had been developed and implemented to compose configurable logic blocks, detection of controllability and observability in applications for Reconfigurables Architectures modeled by Chu nets

Caracterização geométrica e parametrização de depósitos transacionais recentes e sua aplicação na modelagem de reservatórios petrolíferos

In this beginning of the XXI century, the Geology moves for new ways that demand a capacity to work with different information and new tools. It is within this context that the analog characterization has important in the prediction and understanding the lateral changes in the geometry and facies distribution. In the present work was developed a methodology for integration the geological and geophysical data in transitional recent deposits, the modeling of petroliferous reservoirs, the volume calculation and the uncertainties associate with this volume. For this purpose it was carried planialtimetric and geophysics (Ground Penetrating Radar) surveys in three areas of the Parnaíba River. With this information, it was possible to visualize the overlap of different estuary channels and make the delimitation of the channel geometry (width and thickness). For three-dimensional visualization and modeling were used two of the main reservoirs modeling software. These studies were performed with the collected parameters and the data of two reservoirs. The first was created with the Potiguar Basin wells data existents in the literature and corresponding to Açu IV unit. In the second case was used a real database of the Northern Sea. In the procedures of reservoirs modeling different workflows were created and generated five study cases with their volume calculation. Afterwards an analysis was realized to quantify the uncertainties in the geological modeling and their influence in the volume. This analysis was oriented to test the generating see and the analogous data use in the model construction

Evolução da paisagem do baixo curso do rio de Piranhas-Assu (1988-2024): uso de autômatos celulares em modelo dinâmico espacial para simulação de cenários futuros

The lower course of Piranhas-Assu river, located in the north coast of Rio Grande do Norte, Brazil, arouses a keen interest as a study field, once it concentrates, besides petroleum and gas exploration, activities related to shrimp culture, salt and horticulture, factors that also deserve special attention. Thus, the awareness of the study field environmental stage demands studies from researchers and discernment from society, as a way of understanding the inter-relation between environment and men. Therefore, this work attempts at understanding and studying the dynamics of land use in the lower course of Piranhas-Assu river, through a multitemporal analysis of present and past, accomplishing future projections through simulation models. The work is divided in stages that include the research, analysis, interpretation of results, and the generation of simulation models, to analyze the landscape tendencies, making possible to identify indicators which cause such changes in the lower course of the river. From Geographical Database, the necessary exploratory analyses were accomplished to the following items: land use evolution, natural and environmental vulnerability, multiple geodiversity indexes, and preparation of the data to be used in the simulation model. Later, the construction of the landscape simulation model was conducted. Sequentially, simulations of future sceneries were accomplished through the execution of the model in a specific software environment. Last, the analyses of landscape tendencies in the study field were carried out. The lower course of Piranhas-Assu River didn't show any intense dynamics in landscape changing, once in the period taken into account (from 1988 to 2004) class stability proved to be superior to its transformations. Activities related to agriculture and livestock are the ones that influence, mostly, the landscape dynamics. The production of sea shrimp and petroleum also infers in the landscape, although in smaller proportion. INCRA s public policies excessively determined the dynamics of the landscape in the lower course of Piranhas-Assu River, RN. In respect to its natural vulnerability, the lower course of Piranhas-Assu River, RN, features more vulnerable than stable areas. The landscape simulation, in the first taken period (2004-2009), indicated considerable increases and decreases of antropic activities, if compared to its sequent periods (2009-2014, 2014-2019 and 2019-2024). The simulation, in a wider analysis, showed that the determining factors for the space mobility of antropic activities, in the focused area, are related to the pre-existence of communities with agricultural capability and to the existence of access routes and drainage. Considering the area that features fixed and mobile dunes, located in Porto do Mangue district, we recommend its conversion into a conservation area

Modelagem do clima de ondas e seus efeitos sobre as feições morfológicas costeiras no litoral setentrional do Rio Grande do Norte

This thesis presents the results of application of SWAN Simulating WAves Nearshore numerical model, OF third generation, which simulates the propagation and dissipation of energy from sea waves, on the north continental shelf at Rio Grande do Norte, to determine the wave climate, calibrate and validate the model, and assess their potential and limitations for the region of interest. After validation of the wave climate, the results were integrated with information from the submarine relief, and plant morphology of beaches and barrier islands systems. On the second phase, the objective was to analyze the evolution of the wave and its interaction with the shallow seabed, from three transverse profiles orientation from N to S, distributed according to the parallel longitudinal, X = 774000-W, 783000-W e 800000-W. Subsequently, it was were extracted the values of directional waves and winds through all the months between november 2010 to november 2012, to analyze the impact of these forces on the movement area, and then understand the behavior of the morphological variations according to temporal year variability. Based on the results of modeling and its integration with correlated data, and planimetric variations of Soledade and Minhoto beach systems and Ponta do Tubarão and Barra do Fernandes barrier islands systems, it was obtained the following conclusions: SWAN could reproduce and determine the wave climate on the north continental shelf at RN, the results show a similar trend for the measurements of temporal variations of significant height (HS, m) and the mean wave period (Tmed, s); however, the results of parametric statistics were low for the estimates of the maximum values in most of the analyzed periods compared data of PT 1 and PT 2 (measurement points), with alternation of significant wave heights, at times overrated with occasional overlap of swell episodes. By analyzing the spatial distribution of the wave climate and its interaction with the underwater compartmentalization, it was concluded that there is interaction of wave propagation with the seafloor, showing change in significant heights whenever it interacts with the seafloor features (beachrocks, symmetric and asymmetric longitudinal dunes, paleochannel, among others) in the regions of outer, middle and inner shelf. And finally, it is concluded that the study of the stability areas allows identifications of the most unstable regions, confirming that the greatest range of variation indicates greater instability and consequent sensitivity to hydrodynamic processes operating in the coastal region, with positive or negative variation, especially at Ponta do Tubarão and Barra do Fernandes barrier islands systems, where they are more susceptible to waves impacts, as evidenced in retreat of the shoreline

Simulação de Fluxo no Meio Poroso Utilizando o Fluent

The complexity of the Phenomenon of fluid flow in porous way causes a difficulty in its explicit description. Different in the cases where the flow is given through a pipe, where it is possible to measure the length and diameter of the pipe and to determine their ability to flow as a function of pressure, which is a complicated task in porous way. However, we try to approach clearly the equations used to conjecture the behavior of fluid flow in porous way. We made use of the Gambit to create a fractal geometry with the fluent we give the contour´s conditions we would want to analyze the data. The triangular mesh was created; it makes interactions with the discs of different rays, as barriers putted in the geometry. This work presents the results of a simulation with a flow of viscous fluids (oilliquid). The oil flows in a porous way constructed in 2D. The behavior evaluation of the fluid flow inside the porous way was realized with graphics, images and numerical results used for different datas analysis. The study was aimed in relation at the behavior of permeability (k) for different fractal dimensions. Taking into account the preservation of porosity and increasing the fractal distribution of the discs. The results showed that k decreases when we increase the numbers of discs, although the porosity is the same for all generations of the first simulation, in other words, the permeability decreases when we increase the fractality. Well, there are strong turbulence in the flow each time we increase the number of discs and this hinders the passage of the same to the exit. These results permitted to put in evidence how the permeability (k) is affected in a porous way with obstacles distributed in a diversified form. We also note that k decreases when we increase the pressure variation (P) within geometry. So, in front of the results and the absence of bibliographic subsidies about other theories, the work realized here can possibly by considered the unpublished form to explain and reflect on how the permeability is changed when increasing the fractal dimension in a porous way

Modelagem dos algorítmos simples e Simulated Annealing por cadeias de Markov

Os Algoritmos Genético (AG) e o Simulated Annealing (SA) são algoritmos construídos para encontrar máximo ou mínimo de uma função que representa alguma característica do processo que está sendo modelado. Esses algoritmos possuem mecanismos que os fazem escapar de ótimos locais, entretanto, a evolução desses algoritmos no tempo se dá de forma completamente diferente. O SA no seu processo de busca trabalha com apenas um ponto, gerando a partir deste sempre um nova solução que é testada e que pode ser aceita ou não, já o AG trabalha com um conjunto de pontos, chamado população, da qual gera outra população que sempre é aceita. Em comum com esses dois algoritmos temos que a forma como o próximo ponto ou a próxima população é gerada obedece propriedades estocásticas. Nesse trabalho mostramos que a teoria matemática que descreve a evolução destes algoritmos é a teoria das cadeias de Markov. O AG é descrito por uma cadeia de Markov homogênea enquanto que o SA é descrito por uma cadeia de Markov não-homogênea, por fim serão feitos alguns exemplos computacionais comparando o desempenho desses dois algoritmos

Testes em modelos weibull na forma estendida de Marshall-Olkin

In survival analysis, the response is usually the time until the occurrence of an event of interest, called failure time. The main characteristic of survival data is the presence of censoring which is a partial observation of response. Associated with this information, some models occupy an important position by properly fit several practical situations, among which we can mention the Weibull model. Marshall-Olkin extended form distributions other a basic generalization that enables greater exibility in adjusting lifetime data. This paper presents a simulation study that compares the gradient test and the likelihood ratio test using the Marshall-Olkin extended form Weibull distribution. As a result, there is only a small advantage for the likelihood ratio test