Design e avalia����o de pictogramas farmac��uticos

A informa����o inerente aos medicamentos no processo de medica����o e prescri����o tem revelado insufici��ncias relativamente ��s necessidades do utilizador. Este projecto aborda essas dificuldades e procura contribuir, atrav��s do design e avalia����o de pictogramas farmac��uticos, para um melhor acesso das pessoas �� informa����o, oral e escrita, prestada por m��dicos, farmac��uticos e pela literatura inclusa dos medicamentos. Verific��mos que, nos ��ltimos 40 anos, se desenvolveram quase mil representa����es gr��ficas, provenientes de 20 pa��ses, sobre mensagens relativas a perigos, precau����es e informa����es de como tomar o medicamento. Com base nesse conjunto mundial colectado, t��o alargado e diversificado, procedeu-se �� analise, agrupamento e compara����o dessas representa����es com vista a apurar a diversidade gr��fica e escrita das 75 mensagens farmac��uticas identificadas nesta investiga����o. Foi seguidamente consultada uma centena de profissionais de sa��de dentro da ��rea farmac��utica para selec����o e defini����o da informa����o a ser projectada em pictogramas. Algumas das mensagens seleccionadas foram, por ordem de import��ncia: ���N��o aplicar nos olhos���, ���N��o beber ��lcool enquanto estiver a tomar o medicamento��� e ���Guardar no frigor��fico���. Foi concebido um sistema PictoPharma, bilingue (Portugu��s e Ingl��s), composto por 32 pictogramas farmac��uticos, com v��rias possibilidades crom��ticas de acordo com as diversas aplica����es para suportes de impress��o e ecr�� (Registo de Propriedade Industrial ��� marca e design). Embora o sistema projectado possa aumentar a capacidade de recordar as informa����es importantes pelas pessoas em geral, os p��blicos-alvo que mais beneficiar��o com o sistema s��o: pessoas que apresentam especiais dificuldades de leitura - analfabetos, pessoas com nenhum conhecimento ou um conhecimento limitado da l��ngua; pessoas com dificuldades para relembrar e / ou compreender o tratamento - popula����o envelhecida, sob m��ltiplos tratamentos ou com menores capacidades intelectuais; pessoas que n��o falam a l��ngua local ou s��o de uma cultura diferente - estrangeiros, turistas, imigrantes. Foram feitos testes de usabilidade com os p��blicos-alvo espec��ficos, de forma a verificar a percentagem de compreens��o dos pictogramas, sem a respectiva legenda e de acordo com as normas internacionais de normaliza����o. Os resultados dos testes indicaram que metade do sistema atingiu os 100% de compreens��o e a outra metade atingiu mais de 88%. O sistema PictoPharma criado caracteriza-se: pelo design gr��fico no seu contraste visual e na possibilidade de leitura numa escala reduzida; pelo conceito de familiaridade gr��fica representada no seu conjunto, de forma a tornar os pictogramas mais facilmente memoriz��veis; pelo estudo feito para minimizar especificidades culturais visuais; pelas diversas aplica����es poss��veis na ind��stria; pelas direc����es que aponta para futuras investiga����es sobre as escolhas visuais culturais inerentes a um projecto de design com este.

Control design for multicast-aware class-based networks

The expectations of citizens from the Information Technologies (ITs) are increasing as the ITs have become integral part of our society, serving all kinds of activities whether professional, leisure, safety-critical applications or business. Hence, the limitations of the traditional network designs to provide innovative and enhanced services and applications motivated a consensus to integrate all services over packet switching infrastructures, using the Internet Protocol, so as to leverage flexible control and economical benefits in the Next Generation Networks (NGNs). However, the Internet is not capable of treating services differently while each service has its own requirements (e.g., Quality of Service - QoS). Therefore, the need for more evolved forms of communications has driven to radical changes of architectural and layering designs which demand appropriate solutions for service admission and network resources control. This Thesis addresses QoS and network control issues, aiming to improve overall control performance in current and future networks which classify services into classes. The Thesis is divided into three parts. In the first part, we propose two resource over-reservation algorithms, a Class-based bandwidth Over-Reservation (COR) and an Enhanced COR (ECOR). The over-reservation means reserving more bandwidth than a Class of Service (CoS) needs, so the QoS reservation signalling rate is reduced. COR and ECOR allow for dynamically defining over-reservation parameters for CoSs based on network interfaces resource conditions; they aim to reduce QoS signalling and related overhead without incurring CoS starvation or waste of bandwidth. ECOR differs from COR by allowing for optimizing control overhead minimization. Further, we propose a centralized control mechanism called Advanced Centralization Architecture (ACA), that uses a single state-full Control Decision Point (CDP) which maintains a good view of its underlying network topology and the related links resource statistics on real-time basis to control the overall network. It is very important to mention that, in this Thesis, we use multicast trees as the basis for session transport, not only for group communication purposes, but mainly to pin packets of a session mapped to a tree to follow the desired tree. Our simulation results prove a drastic reduction of QoS control signalling and the related overhead without QoS violation or waste of resources. Besides, we provide a generic-purpose analytical model to assess the impact of various parameters (e.g., link capacity, session dynamics, etc.) that generally challenge resource overprovisioning control. In the second part of this Thesis, we propose a decentralization control mechanism called Advanced Class-based resource OverpRovisioning (ACOR), that aims to achieve better scalability than the ACA approach. ACOR enables multiple CDPs, distributed at network edge, to cooperate and exchange appropriate control data (e.g., trees and bandwidth usage information) such that each CDP is able to maintain a good knowledge of the network topology and the related links resource statistics on real-time basis. From scalability perspective, ACOR cooperation is selective, meaning that control information is exchanged dynamically among only the CDPs which are concerned (correlated). Moreover, the synchronization is carried out through our proposed concept of Virtual Over-Provisioned Resource (VOPR), which is a share of over-reservations of each interface to each tree that uses the interface. Thus, each CDP can process several session requests over a tree without requiring synchronization between the correlated CDPs as long as the VOPR of the tree is not exhausted. Analytical and simulation results demonstrate that aggregate over-reservation control in decentralized scenarios keep low signalling without QoS violations or waste of resources. We also introduced a control signalling protocol called ACOR Protocol (ACOR-P) to support the centralization and decentralization designs in this Thesis. Further, we propose an Extended ACOR (E-ACOR) which aggregates the VOPR of all trees that originate at the same CDP, and more session requests can be processed without synchronization when compared with ACOR. In addition, E-ACOR introduces a mechanism to efficiently track network congestion information to prevent unnecessary synchronization during congestion time when VOPRs would exhaust upon every session request. The performance evaluation through analytical and simulation results proves the superiority of E-ACOR in minimizing overall control signalling overhead while keeping all advantages of ACOR, that is, without incurring QoS violations or waste of resources. The last part of this Thesis includes the Survivable ACOR (SACOR) proposal to support stable operations of the QoS and network control mechanisms in case of failures and recoveries (e.g., of links and nodes). The performance results show flexible survivability characterized by fast convergence time and differentiation of traffic re-routing under efficient resource utilization i.e. without wasting bandwidth. In summary, the QoS and architectural control mechanisms proposed in this Thesis provide efficient and scalable support for network control key sub-systems (e.g., QoS and resource control, traffic engineering, multicasting, etc.), and thus allow for optimizing network overall control performance.

Coping, fatores psicossociais e capacidade para o trabalho

O coping desempenha um importante papel na sa��de individual e rendimento organizacional. Tal como o coping �� um tema de interesse recente e promissor na ��rea da psicologia da sa��de ocupacional, tamb��m os fatores psicossociais do trabalho t��m ganho um crescente interesse no dom��nio da sa��de ocupacio-nal. No entanto, pouco se sabe acerca das configura����es de coping mais salu-tog��nicas no mundo do trabalho, e menos ainda acerca da participa����o dos fatores psicossociais na defini����o das mesmas. Esta ��ltima perspetiva assume os fatores psicossociais n��o como causas de stresse, mas enquanto recursos de coping. Com o presente estudo, desej��vamos saber se as pessoas com melhor sa��de no trabalho usam estrat��gias de coping diferentes daquelas com menor sa��de, bem como se a escolha dessas estrat��gias �� influenciada pelos fatores psicossociais do trabalho. Pretendia-se ainda caracterizar o coping dos trabalhadores mais saud��veis e produtivos, e perceber que fatores psicosso-ciais contribuem para o mesmo. Foram estudados 2960 profissionais de traba-lhos mentais, sendo 31% (n=909) profissionais de sa��de e 69% (n=2051) pro-fissionais de outras ��reas. Al��m das vari��veis sociodemogr��ficas, avaliou-se o coping (Brief COPE), os fatores psicossociais do trabalho (COPSOQ) e o ��ndi-ce de capacidade para o trabalho (ICT), enquanto indicador de sa��de ocupa-cional. Desenhou-se um estudo transversal e quantitativo, com n��veis de an��li-se descritivo, explorat��rio, correlacional e preditivo. Os resultados confirmaram as hip��teses de estudo e permitem concluir genericamente que (1) o coping diferencia e determina a sa��de no trabalho, (2) os fatores psicossociais do trabalho influenciam o coping, ainda que modestamente, e (3) o coping dos profissionais de sa��de �� estruturalmente diferente do coping dos n��o profissio-nais de sa��de. Os resultados possibilitam ainda estabelecer perfis de bom e de mau coping no trabalho e concorrem para definir estrat��gias de interven����o psicol��gica para o desenvolvimento do report��rio de coping dos profissionais de trabalhos mentais, bem como estrat��gias de gest��o (de recursos humanos) para a melhoria do ambiente psicossocial do trabalho. Por fim, os resultados estimulam algumas considera����es te��ricas e metodol��gicas que sugerem dire����es futuras para o estudo dos efeitos da rela����o do coping com o ambien-te psicossocial do trabalho na sa��de e bem-estar individual, no rendimento organizacional e na qualidade de vida no trabalho. Julgamos, por fim, que os resultados obtidos podem contribuir para aprimorar os mecanismos de coping dos profissionais e para ajustar o ambiente psicossocial do trabalho.

Servi��os de interesse geral e coes��o territorial: o caso da sa��de

De uma forma simples, esta �� uma tese que associa a dimens��o territorial �� formula����o de pol��ticas p��blicas no ��mbito dos Servi��os de Interesse Geral, express��o atualmente utilizada no seio da Comiss��o Europeia em substitui����o do termo Servi��os P��blicos. O ponto de partida �� o de que, particularmente nas ��ltimas duas d��cadas, estes servi��os tiveram de se adaptar a um mundo em mudan��a, quer ao n��vel das tend��ncias pol��ticas, quer do ponto de vista dos constrangimentos financeiros. A decis��o sobre a afeta����o e distribui����o de recursos tem, por isso, obtido uma aten����o crescente no dom��nio das pol��ticas p��blicas. Contudo, as decis��es sobre a natureza, a abrang��ncia e a distribui����o dos recursos a prestar s��o complexas, envolvendo, n��o s�� crit��rios t��cnicos, mas tamb��m julgamentos de valor e a cria����o de consensos pol��ticos. Esta quest��o �� ainda mais premente numa conjuntura, por um lado, de conten����o de gastos, no qual a procura de efici��ncia ganha maior preponder��ncia, e, por outro, de incremento das pr��prias expectativas dos cidad��os, em que a ideia de equidade �� valorada. Atendendo a este contexto, �� natural que em diversos processos de tomada de decis��o haja alguma tens��o entre estes dois princ��pios, questionando-se sobre quanto �� que se deve sacrificar da equidade a favor da efici��ncia e vice-versa. A presente investiga����o filia nestas inquieta����es. O argumento subjacente �� o de que o princ��pio de Coes��o Territorial, enquanto novo paradigma de desenvolvimento do territ��rio europeu e um dos mais recentes objetivos pol��ticos da Comiss��o e dos estados-membros, contribui para ajudar a ponderar a rela����o equidade/efici��ncia em processos de decis��o pol��tica sobre provis��o de Servi��os de Interesse Geral. A linha condutora de investiga����o centra-se na sa��de (em geral) e nos cuidados de sa��de (em particular) como exemplo de um servi��o que, dada a sua import��ncia na sociedade, justifica uma aten����o especial das pol��ticas p��blicas, mas que tem sido alvo de debate pol��tico e acad��mico e de reorganiza����o da sua estrutura na tentativa de diminui����o dos custos associados, com repercuss��es do ponto de vista territorial. A esta quest��o acresce o facto de que pouco se conhece sobre quais os princ��pios e os crit��rios que est��o na base de decis��es pol��ticas no campo da sa��de e qual o papel que o territ��rio aqui ocupa. Para compreender se e como a dimens��o territorial �� considerada na formula����o de pol��ticas de sa��de, bem como de que forma a ado����o do princ��pio de coes��o territorial na formula����o de pol��ticas p��blicas introduz um outro tipo de racionalidade aos processos de tomada de decis��o, optou-se por uma metodologia de abordagem essencialmente qualitativa, baseada i) na realiza����o de entrevistas semiestruturadas conduzidas presencialmente a atores-chave da esfera da decis��o p��blica, ii) na an��lise dos principais instrumentos program��ticos das pol��ticas de sa��de e iii) na an��lise de dois estudos de caso (sub-regi��es do Baixo Vouga e da Beira Interior Sul). Os resultados alcan��ados permitem, por um lado, compreender, discutir e clarificar os processos de tomada de decis��o em sa��de, por outro, justificar o prop��sito da ado����o do princ��pio de Coes��o Territorial na formula����o de pol��ticas e, por fim, avan��ar com linhas de investiga����o futura sobre Servi��os de Interesse Geral e Coes��o Territorial.

Ferroelectric : CNTs structures fabrication for advanced functional nano devices

This work is about the combination of functional ferroelectric oxides with Multiwall Carbon Nanotubes for microelectronic applications, as for example potential 3 Dimensional (3D) Non Volatile Ferroelectric Random Access Memories (NVFeRAM). Miniaturized electronics are ubiquitous now. The drive to downsize electronics has been spurred by needs of more performance into smaller packages at lower costs. But the trend of electronics miniaturization challenges board assembly materials, processes, and reliability. Semiconductor device and integrated circuit technology, coupled with its associated electronic packaging, forms the backbone of high-performance miniaturized electronic systems. However, as size decreases and functionalization increases in the modern electronics further size reduction is getting difficult; below a size limit the signal reliability and device performance deteriorate. Hence miniaturization of siliconbased electronics has limitations. On this background the Road Map for Semiconductor Industry (ITRS) suggests since 2011 alternative technologies, designated as More than Moore; being one of them based on carbon (carbon nanotubes (CNTs) and graphene) [1]. CNTs with their unique performance and three dimensionality at the nano-scale have been regarded as promising elements for miniaturized electronics [2]. CNTs are tubular in geometry and possess a unique set of properties, including ballistic electron transportation and a huge current caring capacity, which make them of great interest for future microelectronics [2]. Indeed CNTs might have a key role in the miniaturization of Non Volatile Ferroelectric Random Access Memories (NVFeRAM). Moving from a traditional two dimensional (2D) design (as is the case of thin films) to a 3D structure (based on a tridimensional arrangement of unidimensional structures) will result in the high reliability and sensing of the signals due to the large contribution from the bottom electrode. One way to achieve this 3D design is by using CNTs. Ferroelectrics (FE) are spontaneously polarized and can have high dielectric constants and interesting pyroelectric, piezoelectric, and electrooptic properties, being a key application of FE electronic memories. However, combining CNTs with FE functional oxides is challenging. It starts with materials compatibility, since crystallization temperature of FE and oxidation temperature of CNTs may overlap. In this case low temperature processing of FE is fundamental. Within this context in this work a systematic study on the fabrication of CNTs - FE structures using low cost low temperature methods was carried out. The FE under study are comprised of lead zirconate titanate (Pb1-xZrxTiO3, PZT), barium titanate (BaTiO3, BT) and bismuth ferrite (BiFeO3, BFO). The various aspects related to the fabrication, such as effect on thermal stability of MWCNTs, FE phase formation in presence of MWCNTs and interfaces between the CNTs/FE are addressed in this work. The ferroelectric response locally measured by Piezoresponse Force Microscopy (PFM) clearly evidenced that even at low processing temperatures FE on CNTs retain its ferroelectric nature. The work started by verifying the thermal decomposition behavior under different conditions of the multiwall CNTs (MWCNTs) used in this work. It was verified that purified MWCNTs are stable up to 420 ��C in air, as no weight loss occurs under non isothermal conditions, but morphology changes were observed for isothermal conditions at 400 ��C by Raman spectroscopy and Transmission Electron Microscopy (TEM). In oxygen-rich atmosphere MWCNTs started to oxidized at 200 ��C. However in argon-rich one and under a high heating rate MWCNTs remain stable up to 1300 ��C with a minimum sublimation. The activation energy for the decomposition of MWCNTs in air was calculated to lie between 80 and 108 kJ/mol. These results are relevant for the fabrication of MWCNTs ��� FE structures. Indeed we demonstrate that PZT can be deposited by sol gel at low temperatures on MWCNTs. And particularly interesting we prove that MWCNTs decrease the temperature and time for formation of PZT by ~100 ��C commensurate with a decrease in activation energy from 68��15 kJ/mol to 27��2 kJ/mol. As a consequence, monophasic PZT was obtained at 575 ��C for MWCNTs - PZT whereas for pure PZT traces of pyrochlore were still present at 650 ��C, where PZT phase formed due to homogeneous nucleation. The piezoelectric nature of MWCNTs - PZT synthesised at 500 ��C for 1 h was proved by PFM. In the continuation of this work we developed a low cost methodology of coating MWCNTs using a hybrid sol-gel / hydrothermal method. In this case the FE used as a proof of concept was BT. BT is a well-known lead free perovskite used in many microelectronic applications. However, synthesis by solid state reaction is typically performed around 1100 to 1300 ��C what jeopardizes the combination with MWCNTs. We also illustrate the ineffectiveness of conventional hydrothermal synthesis in this process due the formation of carbonates, namely BaCO3. The grown MWCNTs - BT structures are ferroelectric and exhibit an electromechanical response (15 pm/V). These results have broad implications since this strategy can also be extended to other compounds of materials with high crystallization temperatures. In addition the coverage of MWCNTs with FE can be optimized, in this case with non covalent functionalization of the tubes, namely with sodium dodecyl sulfate (SDS). MWCNTs were used as templates to grow, in this case single phase multiferroic BFO nanorods. This work shows that the use of nitric solvent results in severe damages of the MWCNTs layers that results in the early oxidation of the tubes during the annealing treatment. It was also observed that the use of nitric solvent results in the partial filling of MWCNTs with BFO due to the low surface tension (<119 mN/m) of the nitric solution. The opening of the caps and filling of the tubes occurs simultaneously during the refluxing step. Furthermore we verified that MWCNTs have a critical role in the fabrication of monophasic BFO; i.e. the oxidation of CNTs during the annealing process causes an oxygen deficient atmosphere that restrains the formation of Bi2O3 and monophasic BFO can be obtained. The morphology of the obtained BFO nano structures indicates that MWCNTs act as template to grow 1D structure of BFO. Magnetic measurements on these BFO nanostructures revealed a week ferromagnetic hysteresis loop with a coercive field of 956 Oe at 5 K. We also exploited the possible use of vertically-aligned multiwall carbon nanotubes (VA-MWCNTs) as bottom electrodes for microelectronics, for example for memory applications. As a proof of concept BiFeO3 (BFO) films were in-situ deposited on the surface of VA-MWCNTs by RF (Radio Frequency) magnetron sputtering. For in situ deposition temperature of 400 ��C and deposition time up to 2 h, BFO films cover the VA-MWCNTs and no damage occurs either in the film or MWCNTs. In spite of the macroscopic lossy polarization behaviour, the ferroelectric nature, domain structure and switching of these conformal BFO films was verified by PFM. A week ferromagnetic ordering loop was proved for BFO films on VA-MWCNTs having a coercive field of 700 Oe. Our systematic work is a significant step forward in the development of 3D memory cells; it clearly demonstrates that CNTs can be combined with FE oxides and can be used, for example, as the next 3D generation of FERAMs, not excluding however other different applications in microelectronics.

Evaluation of the matabolic response of osteosarcoma cells to conventional and new anticancer drugs by NMR metabolomics

The main scope of this work was to evaluate the metabolic effects of anticancer agents (three conventional and one new) in osteosarcoma (OS) cells and osteoblasts, by measuring alterations in the metabolic profile of cells by nuclear magnetic resonance (NMR) spectroscopy metabolomics. Chapter 1 gives a theoretical framework of this work, beginning with the main metabolic characteristics that globally describe cancer as well as the families and mechanisms of action of drugs used in chemotherapy. The drugs used nowadays to treat OS are also presented, together with the Palladium(II) complex with spermine, Pd2Spm, potentially active against cancer. Then, the global strategy for cell metabolomics is explained and the state of the art of metabolomic studies that analyze the effect of anticancer agents in cells is presented. In Chapter 2, the fundamentals of the analytical techniques used in this work, namely for biological assays, NMR spectroscopy and multivariate and statistical analysis of the results are described. A detailed description of the experimental procedures adopted throughout this work is given in Chapter 3. The biological and analytical reproducibility of the metabolic profile of MG-63 cells by high resolution magic angle spinning (HRMAS) NMR is evaluated in Chapter 4. The metabolic impact of several factors (cellular integrity, spinning rate, temperature, time and acquisition parameters) on the 1H HRMAS NMR spectral profile and quality is analysed, enabling the definition of the best acquisition parameters for further experiments. The metabolic consequences of increasing number of passages in MG-63 cells as well as the duration of storage are also investigated. Chapter 5 describes the metabolic impact of drugs conventionally used in OS chemotherapy, through NMR metabolomics studies of lysed cells and aqueous extracts analysis. The results show that MG-63 cells treated with cisplatin (cDDP) undergo a strong up-regulation of lipid contents, alterations in phospholipid constituents (choline compounds) and biomarkers of DNA degradation, all associated with cell death by apoptosis. Cells exposed to doxorubicin (DOX) or methotrexate (MTX) showed much slighter metabolic changes, without any relevant alteration in lipid contents. However, metabolic changes associated with altered Krebs cycle, oxidative stress and nucleotides metabolism were detected and were tentatively interpreted at the light of the known mechanisms of action of these drugs. The metabolic impact of the exposure of MG-63 cells and osteoblasts to cDDP and the Pd2Spm complex is described in Chapter 6. Results show that, despite the ability of the two agents to bind DNA, the metabolic consequences that arise from exposure to them are distinct, namely in what concerns to variation in lipid contents (absent for Pd2Spm). Apoptosis detection assays showed that, differently from what was seen for MG-63 cells treated with cDDP, the decreased number of living cells upon exposure to Pd2Spm was not due to cell death by apoptosis or necrosis. Moreover, the latter agent induces more marked alterations in osteoblasts than in cancer cells, while the opposite seemed to occur upon cDDP exposure. Nevertheless, the results from MG-63 cells exposure to combination regimens with cDDP- or Pd2Spm-based cocktails, described in Chapter 7, revealed that, in combination, the two agents induce similar metabolic responses, arising from synergy mechanisms between the tested drugs. Finally, the main conclusions of this thesis are summarized in Chapter 8, and future perspectives in the light of this work are presented.

A computational study of ionic liquids used in the production of fuels and biofuels

For the past decades it has been a worldwide concern to reduce the emission of harmful gases released during the combustion of fossil fuels. This goal has been addressed through the reduction of sulfur-containing compounds, and the replacement of fossil fuels by biofuels, such as bioethanol, produced in large scale from biomass. For this purpose, a new class of solvents, the Ionic Liquids (ILs), has been applied, aiming at developing new processes and replacing common organic solvents in the current processes. ILs can be composed by a large number of different combinations of cations and anions, which confer unique but desired properties to ILs. The ability of fine-tuning the properties of ILs to meet the requirements of a specific application range by mixing different cations and anions arises as the most relevant aspect for rendering ILs so attractive to researchers. Nonetheless, due to the huge number of possible combinations between the ions it is required the use of cheap predictive approaches for anticipating how they will act in a given situation. Molecular dynamics (MD) simulation is a statistical mechanics computational approach, based on Newton���s equations of motion, which can be used to study macroscopic systems at the atomic level, through the prediction of their properties, and other structural information. In the case of ILs, MD simulations have been extensively applied. The slow dynamics associated to ILs constitutes a challenge for their correct description that requires improvements and developments of existent force fields, as well as larger computational efforts (longer times of simulation). The present document reports studies based on MD simulations devoted to disclose the mechanisms of interaction established by ILs in systems representative of fuel and biofuels streams, and at biomass pre-treatment process. Hence, MD simulations were used to evaluate different systems composed of ILs and thiophene, benzene, water, ethanol and also glucose molecules. For the latter molecules, it was carried out a study aiming to ascertain the performance of a recently proposed force field (GROMOS 56ACARBO) to reproduce the dynamic behavior of such molecules in aqueous solution. The results here reported reveal that the interactions established by ILs are dependent on the individual characteristics of each IL. Generally, the polar character of ILs is deterministic in their propensity to interact with the other molecules. Although it is unquestionable the advantage of using MD simulations, it is necessary to recognize the need for improvements and developments of force fields, not only for a successful description of ILs, but also for other relevant compounds such as the carbohydrates.

Assessing the effectiveness of chemical treatment with nanomaterials in improving the quality of different industrial effluents

Industrial activities are the major sources of pollution in all environments. Depending on the type of industry, various levels of organic and inorganic pollutants are being continuously discharged into the environment. Although, several kinds of physical, chemical, biological or the combination of methods have been proposed and applied to minimize the impact of industrial effluents, few have proved to be totally effective in terms of removal rates of several contaminants, toxicity reduction or amelioration of physical and chemical properties. Hence, it is imperative to develop new and innovative methodologies for industrial wastewater treatment. In this context nanotechnology arises announcing the offer of new possibilities for the treatment of wastewaters mainly based on the enhanced physical and chemical proprieties of nanomaterials (NMs), which can remarkably increase their adsorption and oxidation potential. Although applications of NMs may bring benefits, their widespread use will also contribute for their introduction into the environment and concerns have been raised about the intentional use of these materials. Further, the same properties that make NMs so appealing can also be responsible for producing ecotoxicological effects. In a first stage, with the objective of selecting NMs for the treatment of organic and inorganic effluents we first assessed the potential toxicity of nanoparticles of nickel oxide (NiO) with two different sizes (100 and 10-20 nm), titanium dioxide (TiO2, < 25 nm) and iron oxide (Fe2O3, ��� 85x425 nm). The ecotoxicological assessment was performed with a battery of assays using aquatic organisms from different trophic levels. Since TiO2 and Fe2O3 were the NMs that presented lower risks to the aquatic systems, they were selected for the second stage of this work. Thus, the two NMs pre-selected were tested for the treatment of olive mill wastewater (OMW). They were used as catalyst in photodegradation systems (TiO2/UV, Fe2O3/UV, TiO2/H2O2/UV and Fe2O3/H2O2/UV). The treatments with TiO2 or Fe2O3 combined with H2O2 were the most efficient in ameliorating some chemical properties of the effluent. Regarding the toxicity to V. fischeri the highest reduction was recorded for the H2O2/UV system, without NMs. Afterwards a sequential treatment using photocatalytic oxidation with NMs and degradation with white-rot fungi was applied to OMW. This new approach increased the reduction of chemical oxygen demand, phenolic content and ecotoxicity to V. fischeri. However, no reduction in color and aromatic compounds was achieved after 21 days of biological treatment. The photodegradation systems were also applied to treat the kraft pulp mill and mining effluents. For the organic effluent the combination NMs and H2O2 had the best performances in reduction the chemical parameters as well in terms of toxicity reduction. However, for the mine effluent the best (TiO2/UV and Fe2O3/UV) were only able to significantly remove three metals (Zn, Al and Cd). Nonetheless the treatments were able of reducing the toxicity of the effluent. As a final stage, the toxicity of solid wastes formed during wastewater treatment with NMs was assessed with Chironomus riparius larvae, a representative species of the sediment compartment. Certain solid wastes showed the potential to negatively affect C. riparius survival and growth, depending on the type of effluent treated. This work also brings new insights to the use of NMs for the treatment of industrial wastewaters. Although some potential applications have been announced, many evaluations have to be performed before the upscaling of the chemical treatments with NMs.

Development of a sustainable method for the extraction of lycopene and ��-carotene from food wastes

The main objective of the present work is the study of a profitable process not only in the extraction and selective separation of lycopene and ��-carotene, two compounds present in tomato, but also in its potential application to food industry wastes. This is one of the industries that produce larger amounts of wastes, which are rich in high value biomolecules with great economic interest. However, the conventional methods used to extract this kind of compounds are expensive which limits their application at large scale. Lycopene and ��carotene are carotenoids with high commercial value, known for their antioxidant activity and benefits to human health. Their biggest source is tomato, one of the world���s most consumed fruits, reason for which large quantities of waste is produced. This work focuses on the study of diverse solvents with a high potential to extract carotenoids from tomato, as well as the search for more environmentally benign solvents than those currently used to extract lycopene and ��-carotene from biomass. Additionally, special attention was paid to the creation of a continuous process that would allow the fractionation of the compounds for further purification. Thus, the present work started with the extraction of both carotenoids using a wide range of solvents, namely, organic solvents, conventional salts, ionic liquids, polymers and surfactants. In this stage, each solvent was evaluated in what regards their capacity of extraction as well as their penetration ability in biomass. The results collected showed that an adequate selection of the solvents may lead to the complete extraction of both carotenoids in one single step, particularly acetone and tetrahydrofuran were the most effective ones. However, the general low penetration capacity of salts, ionic liquids, polymers and surfactants makes these solvents ineffective in the solid-liquid extraction process. As the organic solvents showed the highest capacity to extract lycopene and ��carotene, in particular tetrahydrofuran and acetone, the latter solvent used in the development process of fractionation, using to this by strategic use of solvents. This step was only successfully developed through the manipulation of the solubility of each compound in ethanol and n-hexane. The results confirmed the possibility of fractionating the target compounds using the correct addition order of the solvents. Approximately, 39 % of the ��-carotene was dissolved in ethanol and about 64 % of lycopene was dissolved in n-hexane, thus indicating their separation for two different solvents which shows the selective character of the developed process without any prior stage optimization. This study revealed that the use of organic solvents leads to selective extraction of lycopene and ��-carotene, allowing diminishing the numerous stages involved in conventional methods. At the end, it was possible to idealize a sustainable and of high industrial relevance integrated process, nevertheless existing the need for additional optimization studies in the future.

Novas fontes de antioxidantes e inibidores de enzimas relevantes para o tratamento da diabetes mellitus tipo 2 e doen��a de Alzheimer

Disserta����o de mest., Engenharia Biol��gica, Faculdade de Ci��ncias e Tecnologia, Universidade do Algarve, 2009

A citricultura algarvia, estrat��gias t��cnicas e institucionais para o in��cio do s��c. XXI

Tese dout., Economia, Universidade do Algarve, 2007

Seasonal and storm induced morphological variations at praia de Faro, pen��nsula do Anc��o, southern Portugal

Disserta����o de Mestrado, Estudos Marinhos e Costeiros, Faculdade de Ci��ncias e Tecnologia, Universidade do Algarve, 2009

Population model of the recent subtidal invasion of Sargassum muticum in southern Portugal

Disserta����o de Mestrado, Biologia Marinha, Especializa����o em Ecologia e Conserva����o, Faculdade de Ci��ncias do Mar e do Ambiente, Universidade do Algarve, 2007

Effects of copper in plasma, gills, liver and muscle of seabream (Sparus aurata, Linnaeus 1758) juveniles

Disserta����o de Mestrado, Aquacultura e Pescas, Faculdade de Ci��ncias do Mar e do Ambiente, Universidade do Algarve, 2006

Does variability in temperature and chlorophyll concentration influence Wahoo and Yellowfin tuna landings in Bermuda (1990-2006)?

Disserta����o de mest., Biologia Marinha, Faculdade de Ci��ncias e Tecnologia, Universidade do Algarve, 2009