A educação alimentar no ensino de ciências : o caso das dietas alimentares

Dissertação (mestrado)—Universidade de Brasília, Instituto de Ciências Biológicas, Instituto de Física, Instituto de Química, Faculdade UnB Planaltina, Programa de Pós-Graduação em Ensino de Ciências, Mestrado Profissional em Ensino de Ciências, 2016.

Metodologias estatísticas aplicadas a dados de análises químicas da água produzida em um campo maduro de petróleo

Produced water is characterized as one of the most common wastes generated during exploration and production of oil. This work aims to develop methodologies based on comparative statistical processes of hydrogeochemical analysis of production zones in order to minimize types of high-cost interventions to perform identification test fluids - TIF. For the study, 27 samples were collected from five different production zones were measured a total of 50 chemical species. After the chemical analysis was applied the statistical data, using the R Statistical Software, version 2.11.1. Statistical analysis was performed in three steps. In the first stage, the objective was to investigate the behavior of chemical species under study in each area of production through the descriptive graphical analysis. The second step was to identify a function that classify production zones from each sample, using discriminant analysis. In the training stage, the rate of correct classification function of discriminant analysis was 85.19%. The next stage of processing of the data used for Principal Component Analysis, by reducing the number of variables obtained from the linear combination of chemical species, try to improve the discriminant function obtained in the second stage and increase the discrimination power of the data, but the result was not satisfactory. In Profile Analysis curves were obtained for each production area, based on the characteristics of the chemical species present in each zone. With this study it was possible to develop a method using hydrochemistry and statistical analysis that can be used to distinguish the water produced in mature fields of oil, so that it is possible to identify the zone of production that is contributing to the excessive elevation of the water volume.

Monitoramento da morfologia costeira em setores da bacia potiguar sob influência da indústria petrolífera utilizando geodésia de alta precisão e laser escâner terrestre

The objective of this Doctoral Thesis was monitoring, in trimestral scale, the coastal morphology of the Northeastern coast sections of Rio Grande do Norte State, in Brazil, which is an area of Potiguar Basin influenced by the oil industry activities. The studied sections compose coastal areas with intense sedimentary erosion and high environmental sensitivity to the oil spill. In order to achieve the general objective of this study, the work has been systematized in four steps. The first one refers to the evaluation of the geomorphological data acquisition methodologies used on Digital Elevation Model (DEM) of sandy beaches. The data has been obtained from Soledade beach, located on the Northeastern coast of Rio Grande Norte. The second step has been centered on the increasing of the reference geodetic infrastructure to accomplish the geodetic survey of the studied area by implanting a station in Corta Cachorro Barrier Island and by conducting monitoring geodetic surveys to understand the beach system based on the Coastline (CL) and on DEM multitemporal analysis. The third phase has been related to the usage of the methodology developed by Santos; Amaro (2011) and Santos et al. (2012) for the surveying, processing, representation, integration and analysis of Coastlines from sandy coast, which have been obtained through geodetic techniques of positioning, morphological change analysis and sediment transport. The fourth stage represents the innovation of surveys in coastal environment by using the Terrestrial Laser Scanning (TLS), based on Light Detection and Ranging (LiDAR), to evaluate a highly eroded section on Soledade beach where the oil industry structures are located. The evaluation has been achieved through high-precision DEM and accuracy during the modeling of the coast morphology changes. The result analysis of the integrated study about the spatial and temporal interrelations of the intense coastal processes in areas of building cycles and destruction of beaches has allowed identifying the causes and consequences of the intense coastal erosion in exposed beach sections and in barrier islands

Quel mode de gestion politique en éducation? Le cas de l’enseignement des langues étrangères au primaire dans le Bade-Wurtemberg (1998-2011)

Dans le Bade-Wurtemberg, land du sud-ouest de l’Allemagne limitrophe à la France, on enseigne une langue étrangère dans toutes les écoles primaires dès la 1re année depuis l’année scolaire 2003-2004. Certaines communes composant un corridor d’une trentaine de kilomètres de large longeant la frontière française se sont vu imposer le français, et non l’anglais comme ailleurs dans le land. Pour cette raison, le règlement a été dénoncé par des opposants lorsqu’il fut rendu public en 2001. La recherche a pour objectif dans une première étape de reconstituer, à l’aide de protocoles parlementaires du land, de publications ministérielles et de jugements de la Cour administrative, les événements entourant l’élaboration, l’implantation et la réception de cette politique éducative entre 1998 et 2011. La question qui nous intéresse dans une deuxième étape se rapporte aux causes des tensions entre le ministère de l’Éducation et les citoyens. La recherche mettra en évidence le fait que les citoyens n’étaient pas seulement contre l’enseignement du français plutôt que de l’anglais, mais aussi contre l’imposition de l’objet d’enseignement. Pour ce faire, un corpus d’articles de journaux dressera le portrait des opinions saillantes de la population, et les positions du débat pourront être systématisées. Une troisième étape proposera une analyse à l’aide de théories de l’évolution des modes de gouvernance en politique de l’éducation et proposera de nouvelles pistes de réflexion.

Quel mode de gestion politique en éducation? Le cas de l’enseignement des langues étrangères au primaire dans le Bade-Wurtemberg (1998-2011)

Dans le Bade-Wurtemberg, land du sud-ouest de l’Allemagne limitrophe à la France, on enseigne une langue étrangère dans toutes les écoles primaires dès la 1re année depuis l’année scolaire 2003-2004. Certaines communes composant un corridor d’une trentaine de kilomètres de large longeant la frontière française se sont vu imposer le français, et non l’anglais comme ailleurs dans le land. Pour cette raison, le règlement a été dénoncé par des opposants lorsqu’il fut rendu public en 2001. La recherche a pour objectif dans une première étape de reconstituer, à l’aide de protocoles parlementaires du land, de publications ministérielles et de jugements de la Cour administrative, les événements entourant l’élaboration, l’implantation et la réception de cette politique éducative entre 1998 et 2011. La question qui nous intéresse dans une deuxième étape se rapporte aux causes des tensions entre le ministère de l’Éducation et les citoyens. La recherche mettra en évidence le fait que les citoyens n’étaient pas seulement contre l’enseignement du français plutôt que de l’anglais, mais aussi contre l’imposition de l’objet d’enseignement. Pour ce faire, un corpus d’articles de journaux dressera le portrait des opinions saillantes de la population, et les positions du débat pourront être systématisées. Une troisième étape proposera une analyse à l’aide de théories de l’évolution des modes de gouvernance en politique de l’éducation et proposera de nouvelles pistes de réflexion.

Effects of plasticizing and crosslinking on the mechanical and barrier properties of coatings based on blends of starch and poly(vinyl alcohol)

In the last decades, intensive research has been carried out in order to replace oil-based polymers with bio-based polymers due to growing environmental concerns. So far, most of the barrier materials used in food packaging are petroleum-based materials. The purpose of the barrier is to protect the packaged food from oxygen, water vapour, water and fat. The mechanical and barrier properties of coatings based on starch-plasticizer and starch-poly(vinyl alcohol) (PVOH)-plasticizer blends have been studied in the work described in this thesis. The plasticizers used were glycerol, polyethylene glycol and citric acid. In a second step, polyethylene coatings were extruded onto paperboard pre-coated with a starch-PVOH-plasticizer blend. The addition of PVOH to the starch increased the flexibility of the film. Curing of the film led to a decrease in flexibility and an increase in tensile strength. The flexibility of the starch-PVOH films was increased more when glycerol or polyethylene glycol was added than citric acid. The storage modulus of the starch-PVOH films containing citric acid increased substantially at high temperature. It was seen that the addition of polyethylene glycol or citric acid to the starch-PVOH blend resulted in an enrichment of PVOH at the surface of the films. Tensile tests on the films indicated that citric acid acted as a compatibilizer and increased the compatibility of the starch and PVOH in the blend. The addition of citric acid to the coating recipe substantially decreased the water vapour transmission rate through the starch-PVOH coated paperboard, which indicated that citric acid acts as a cross-linker for starch and/or PVOH. The starch-PVOH coatings containing citric acid showed oxygen-barrier properties similar to those of pure PVOH or of a starch-PVOH blend without plasticizer when four coating layers were applied on a paperboard. The oxygen-barrier properties of coatings based on a starch-PVOH blend containing citric acid indicated a cross-linking and increase in compatibility of the starch-PVOH blends. Polyethylene extrusion coating on a pre-coated paperboard resulted in a clear reduction in the oxygen transmission rate for all the pre-coating formulations containing plasticizers. The addition of a plasticizer to the pre-coating reduced the adhesion of polyethylene to pre-coated board. Polyethylene extrusion coating gave a board with a lower oxygen transmission rate when the paperboard was pre-coated with a polyethylene-glycol-containing formulation than with a citric-acid-containing formulation. The addition of polyethylene glycol to pre-coatings indicated an increase in wetting of the pre-coated paperboard by the polyethylene melt, and this may have sealed the small defects in the pre-coating leading to low oxygen transmission rate. The increase in brittleness of starch-PVOH films containing citric acid at a high temperature seemed to have a dominating effect on the barrier properties developed by the extrusion coating process. 

Avaliação da eficácia de remoção do biofilme oral após a instrução da escovagem dentária em pacientes com necessidades educativas especiais

No âmbito da Medicina Dentária define como Paciente com Necessidades Especiais (PNE) todos o indivíduo que apresenta determinados desvios dos padrões de normalidade, identificáveis ou não e que por isso necessitam de atenção e abordagens especiais por um período da sua vida ou indefinidamente. De acordo com a Organização Mundial de Saúde (OMS), cerca de 10% da população mundial é constituída por pacientes especiais, sendo 50% portadores de deficiência mental, 20% de deficiência física, 15% de deficiência auditiva, 5% de deficiência visual e, 10% de alterações múltiplas. Indivíduos com necessidades especiais têm um risco elevado de ter doenças orais. Se, por um lado, um dos grandes objetivos deste trabalho é realçar a importância da higiene oral, não será menos importante, por outro lado, refletir sobre a eficácia da remoção do biofilme dentário através da técnica mais adequada para pacientes com necessidades educativas especiais. Assim, os principais objetivos deste estudo são: i. Perceber previamente ao estudo, quais as noções de higiene oral dos encarregados de educação dos alunos com necessidades educativas especiais e os hábitos de saúde oral que lhes estão associados; ii. Promover e melhorar a saúde oral desta população através de técnicas de motivação como jogos, apresentações de slides através do programa Microsoft powerpoint, filmes; iii. Levar os alunos com NEE a aprender a técnica mais adaptada às suas necessidades através do treino em macromodelos; iv. Comparar os valores do índice de placa no início e no final do estudo para perceber se houve ou não melhoria. Foi utilizada a base de dados do Pubmed, tendo sido pesquisados artigos com as palavras-chave “dental care in special children”, “especial needs”, “oral hygiene”, “oral health”; “deaf children and oral health”, “dental plaque” e “mechanic plaque control”. Foram incluídos os artigos escritos em Português e Inglês, aos quais houvesse acesso integral do artigo, dos últimos 10 anos. Foi realizada também uma consulta de livros relacionados com o tema. A população alvo foram os utentes da instituição CERCIPENICHE, portadores de dificuldade intelectual e desenvolvimental (DID) que compreendiam idades entre os 20 e os 57 anos. A amostra é constituída por 53 indivíduos. O estudo inclui todos aqueles alunos da instituição que conseguiam realizar a escovagem dentária sozinhos, sem qualquer ajuda. A investigação dividiu-se em 3 fases: na primeira fase foi avaliada a eficácia da escovagem dentária dos utentes sem qualquer instrução por parte do investigador, recorrendo a um revelador de placa bacteriana sem qualquer contraindicação para a saúde do indivíduo; numa segunda etapa foram dadas instruções de técnicas de escovagem com base nos resultados da fase anterior, auxiliando com atividades de motivação para a higiene da cavidade oral; por fim foi realizada uma nova avaliação do índice de placa bacteriana para verificar se houve ou não eficácia na remoção do biofilme dentário. Apesar das limitações físicas e mentais destes pacientes atuarem como um travão para uma boa higiene oral, os resultados são positivos, indicam que se verificou a existência de melhorias significativas no IHO-s após a intervenção. Do primeiro para o segundo momento houve uma diminuição dos valores médios deste índice, ou seja, houve uma melhoria na higiene oral desta população, após a instrução. Conclui-se que é importante para estes pacientes reforçar-se continuamente os hábitos de higiene oral, uma vez que reforça a interiorização do conhecimento, havendo não só melhorias na saúde oral destes indivíduos como melhoria na sua qualidade de vida e na saúde em geral.

Incorporation des protéines de canola dans du pain sans gluten : impact technologique et modélisation du processus de cuisson

L’objectif de cette maîtrise est de développer une matrice alimentaire sans gluten par l’incorporation des protéines de canola (PC) dans une farine de riz blanc afin d’offrir aux personnes intolérantes au gluten un produit de bonne qualité d’un point de vue organoleptique (volume massique, structure alvéolaire et couleur) et de valeur nutritionnelle. La matrice sélectionnée est du pain à base de farine de riz blanc. Cinq formulations ont été testées dans la première partie de ce travail : témoin-1 (blé tendre), témoin-2 (100% riz), pain de riz +3% PC, pain de riz + 6% PC, pain de riz + 9% PC. Les produits obtenus ont été caractérisés à toutes les étapes de fabrication en utilisant différentes techniques : poussée volumique, variation thermique au cours des étuvages et de la cuisson, pH (acidité), perte d’eau, volume massique, analyse colorimétrique, dosage des protéines et analyse du profil de la texture. Dans la deuxième partie, deux variables indépendantes ont été additionnées; soit shortening (1, 2, 3%) et gomme de xanthane (0.5, 1, 1.5%), dans le but d’améliorer le volume massique de la meilleure formulation obtenue dans l’étape précédente. Ensuite, des essais de correction ont été attribués aux produits obtenus par l’introduction du bicarbonate de sodium (0.5, 1, 1.5%) et d’huile de canola à la place du shortening (1, 2, 3%). Les tests de panification ont donné différents volumes massiques et structures alvéolaires qui étaient jugés de qualité inférieure à celle du témoin-1 (2.518 mL/g), mais largement supérieure à celle du témoin-2 (1.417 mL/g). Le meilleur volume massique obtenu est de 1.777 mL/g, correspondant à celui du pain obtenu par la combinaison 6%PC+0.5%GH+B 1.5%+ H3%. Finalement, les résultats de ce projet ont montré l’impact positif de l’incorporation des protéines de canola dans un pain sans gluten à base de farine de riz blanc. Ce travail constitue une contribution à la possibilité de substituer le gluten par d’autres protéines ayant de bonnes propriétés techno-fonctionnelles, en particulier la capacité à donner du volume au produit final.

Production de biodiesel à partir de microalgues par catalyses homogène et hétérogène

Résumé : Au Canada, près de 80% des émissions totales, soit 692 Mt eq. CO[indice inférieur 2], des gaz à effet de serre (GES) sont produits par les émissions de dioxyde de carbone (CO[indice inférieur 2]) provenant de l’utilisation de matières fossiles non renouvelables. Après la Conférence des Nations Unies sur les changements climatiques, COP21 (Paris, France), plusieurs pays ont pour objectif de réduire leurs émissions de GES. Dans cette optique, les microalgues pourraient être utilisées pour capter le CO[indice inférieur 2] industriel et le transformer en biomasse composée principalement de lipides, de glucides et de protéines. De plus, la culture des microalgues n’utilise pas de terre arable contrairement à plusieurs plantes oléagineuses destinées à la production de biocarburants. Bien que les microalgues puissent être transformées en plusieurs biocarburants tels le bioéthanol (notamment par fermentation des glucides) ou le biométhane (par digestion anaérobie), la transformation des lipides en biodiesel pourrait permettre de réduire la consommation de diesel produit à partir de pétrole. Cependant, les coûts reliés à la production de biodiesel à partir de microalgues demeurent élevés pour une commercialisation à court terme en partie parce que les microalgues sont cultivées en phase aqueuse contrairement à plusieurs plantes oléagineuses, ce qui augmente le coût de récolte de la biomasse et de l’extraction des lipides. Malgré le fait que plusieurs techniques de récupération des lipides des microalgues n’utilisant pas de solvant organique sont mentionnées dans la littérature scientifique, la plupart des méthodes testées en laboratoire utilisent généralement des solvants organiques. Les lipides extraits peuvent être transestérifiés en biodiesel en présence d’un alcool tel que le méthanol et d’un catalyseur (catalyses homogène ou hétérogène). Pour la commercialisation du biodiesel à partir de microalgues, le respect des normes ASTM en vigueur est un point essentiel. Lors des essais en laboratoire, il a été démontré que l’extraction des lipides en phase aqueuse était possible afin d’obtenir un rendement maximal en lipides de 36% (m/m, base sèche) en utilisant un prétraitement consistant en une ébullition de la phase aqueuse contenant les microalgues et une extraction par des solvants organiques. Pour l’estérification, en utilisant une résine échangeuse de cations (Amberlyst-15), une conversion des acides gras libres de 84% a été obtenue à partir des lipides de la microalgue Chlorella protothecoïdes dans les conditions suivantes : température : 120°C, pression autogène, temps de réaction : 60 min, ratio méthanol/lipides: 0.57 mL/g et 2.5% (m/m) Amberlyst-15 par rapport aux lipides. En utilisant ces conditions avec une catalyse homogène (acide sulfurique) et une seconde étape alcaline avec de l’hydroxyde de potassium (température : 60°C ; temps de réaction : 22.2 min; ratio catalyseur microalgue : 2.48% (m/m); ratio méthanol par rapport aux lipides des microalgues : 31.4%), un rendement en esters méthyliques d’acides gras (EMAG) de 33% (g EMAG/g lipides) a été obtenu à partir des lipides de la microalgue Scenedesmus Obliquus. Les résultats démontrent que du biodiesel peut être produit à partir de microalgues. Cependant, basé sur les présents résultats, il sera necessaire de mener d’autre recherche pour prouver que les microalgues sont une matière première d’avenir pour la production de biodiesel.

Relatório no âmbito da unidade curricular prática de ensino supervisionada

O presente relatório, que será apresentado à Universidade de Évora, foi elaborado no âmbito do Curso de Mestrado em Ensino de Português e de Espanhol, para o 3.º ciclo do ensino básico e ensino secundário, e resulta da reflexão da prática letiva realizada na Escola Básica de Alcáçovas, do Agrupamento de Escolas de Viana do Alentejo, no ano letivo de 2014/2015. Numa primeira parte, são revisitados os principais documentos legais orientadores da prática letiva, relativos ao ensino das línguas materna e estrangeira. Num segundo momento, após uma breve caracterização da Escola e do Agrupamento, dá-se a conhecer o trabalho realizado com os alunos do terceiro ciclo do ensino básico, enquanto professora de Português, fazendo-se simultaneamente uma reflexão sobre as escolhas pedagógicas efetuadas. Posteriormente, apresentam-se as atividades dinamizadas, os cargos desempenhados na Escola e no Agrupamento e faz-se um balanço do caminho percorrido até ao presente; Supervised Teaching Practise Report ABSTRACT: This report, which will be presented to the University of Évora, was elaborated within the context of the Master degree in Portuguese and Spanish teaching for the 3rd cycle of elementary and secondary school. It arises as a result of the teaching practice reflection carried out in Escola Básica de Alcáçovas, Agrupamento de Escolas de Viana do Alentejo, during the school year 2014/2015. In the first part, the main legal guiding documents, concerning the teaching of mother tongue and foreign languages and the teaching practice, are revisited. As a second step, after a brief characterization of School and School Grouping and while as Portuguese teacher, it is presented the work performed by the students of the 3rd cycle of elementary school, as well as a reflection about the chosen pedagogical choices. Subsequently, the carried out activities, the positions held at School and School Grouping are presented, as well as an assessment of what has been done so far.

Evaluation of most promising options for the C1 to C2-coupling: alternative formate coupling

This thesis work contains an overview of potential alternative options to couple formate produced from CO2 with other coupling partners than formate itself. Ultimately, the intent is to produce high value chemicals from CO2 at a high selectivity and conversion, whilst keeping the required utility of electrons in the electrochemical CO2 conversion at a minimum. To select and find new coupling partners, a framework was developed upon which a broad variety of candidates were assessed and ranked. A multi-stage process was used to select first potential classes of molecules. For each class, a variety of commercially available compounds was analysed in depth for its potential suitability in the reaction with the active carbonite intermediate. This analysis has shown that a wide variety of factors come into play and especially the reactivity of the hydride catalyst poses a mayor challenge. The three major potential classes of compounds suitable for the coupling are carbon oxides (CO2 & CO), and aldehydes. As a second step the remaining options were ranked to identify which compound to test first. In this ranking the reactants sustainability, ease of commercial operation and commercial attractiveness of the compound were considered. The highest-ranking compounds that proposed the highest potential are CO2, benzaldehyde and para-formaldehyde. In proof-of-principle experiments CO2 could successfully be incorporated in the form of carbonate, oxalate and potentially formate. The overall incorporation efficiency based on the hydride consumption was shown to be 50%. It is suggested to continue this work with mechanistic studies to understand the reaction in detail as, based on further gained knowledge, the reaction can then be optimized towards optimal CO2 incorporation in the form of oxalate.

Graph-based User Scheduling for MIMO LEO-based Satellite Communication Systems

The study of the user scheduling problem in a Low Earth Orbit (LEO) Multi-User MIMO system is the objective of this thesis. With the application of cutting-edge digital beamforming algorithms, a LEO satellite with an antenna array and a large number of antenna elements can provide service to many user terminals (UTs) in full frequency reuse (FFR) schemes. Since the number of UTs on-ground are many more than the transmit antennas on the satellite, user scheduling is necessary. Scheduling can be accomplished by grouping users into different clusters: users within the same cluster are multiplexed and served together via Space Division Multiple Access (SDMA), i.e., digital beamforming or Multi-User MIMO techniques; the different clusters of users are then served on different time slots via Time Division Multiple Access (TDMA). The design of an optimal user grouping strategy is known to be an NP-complete problem which can be solved only through exhaustive search. In this thesis, we provide a graph-based user scheduling and feed space beamforming architecture for the downlink with the aim of reducing user inter-beam interference. The main idea is based on clustering users whose pairwise great-circle distance is as large as possible. First, we create a graph where the users represent the vertices, whereas an edge in the graph between 2 users exists if their great-circle distance is above a certain threshold. In the second step, we develop a low complex greedy user clustering technique and we iteratively search for the maximum clique in the graph, i.e., the largest fully connected subgraph in the graph. Finally, by using the 3 aforementioned power normalization techniques, a Minimum Mean Square Error (MMSE) beamforming matrix is deployed on a cluster basis. The suggested scheduling system is compared with a position-based scheduler, which generates a beam lattice on the ground and randomly selects one user per beam to form a cluster.

The Second Phase of the Common European Asylum System: A Step Forward in the Protection of Asylum Seekers? IES WORKING PAPER 7/2013

The aim of this paper is to analyse what is the impact of the second phase of the creation of the Common European Asylum System (CEAS) in the protection of rights of Asylum Seekers in the European Union. The establishment of a CEAS has been always a part of the development of the Area of Freedom, Security and Justice. Its implementation was planned in two phases: the first one, focused on the harmonisation of internal legislation on minimum common standards; the second, based on the result of an evaluation of the effectiveness of the agreed legal instruments, should improve the effectiveness of the protection granted. The five instruments adopted between 2002 and 2005, three Directives, on Qualification, Reception Conditions and Asylum Procedures, and two Regulations, the so-called “Dublin System”, were subjected to an extensive evaluation and modification, which led to the end of the recasting in 2013. The paper discusses briefly the international obligations concerning the rights of asylum seekers and continues with the presentation of the legal basis of the CEAS and its development, together with the role of the Charter of Fundamental Rights of the European Union in asylum matters. The research will then focus on the development in the protection of asylum seekers after the recasting of the legislative instruments mentioned above. The paper will note that the European standards result now improved, especially concerning the treatment of vulnerable people, the quality of the application procedure, the effectiveness of the appeal, the treatment of gender issues in decision concerning procedures and reception. However, it will be also highlighted that Member States maintained a wide margin of appreciation in many fields, which can lead to the compression of important guarantees. This margin concerns, for example, the access to free legal assistance, the definition of the material support to be granted to each applicant for international protection, the access to labour market, the application of the presumptions of the “safety” of a third country. The paper will therefore stress that the long negotiations that characterised the second phase of the CEAS undoubtedly led to some progress in the protection of Asylum Seekers in the EU. However, some provisions are still in open contrast with the international obligations concerning rights of asylum seekers, while others require to the Member State consider carefully its obligation in the choice of internal policies concerning asylum matters.

Two-step liquid-phase microextraction and high-performance liquid chromatography for the simultaneous analysis of the enantiomers of mefloquine and its main metabolite carboxymefloquine in plasma

A method for the simultaneous analysis of the enantiomers of mefloquine (MQ) and its main metabolite carboxymefloquine (CMQ) in plasma is described for the first time. The assay involves two-step liquid-phase micro-extraction (LPME) and enantioselective high-performance liquid chromatography. In the first LPME step, the enantiomers of MQ were extracted from an alkalinized sample through a thin layer of di-n-hexyl ether immobilized in the pores of the hollow fiber and into 0.01 M perchloric acid as acceptor solution. In the second LPME step, the same sample was acidified to enable the extraction of CMQ using the same organic solvent and 0.05 M sodium hydroxide as acceptor phase. The analytes were resolved on a Chirobiotic T column in the polar-organic mode of elution and detected at 285 nm. The recovery rates from 1 mL of plasma were in the range 35-38%. The method presented limits of quantification of 50 ng/mL for all analytes and was linear up to 1,500 and 3,000 ng/mL for the enantiomers of MQ and CMQ, respectively. The plasmatic concentrations of (+)-(RS)-MQ were higher than those of (-)-(SR)-MQ after oral administration of the racemic drug to rats.

Protein sequence threading, the alignment problem, and a two-step strategy

Conventionally, protein structure prediction via threading relies on some nonoptimal method to align a protein sequence to each member of a library of known structures. We show how a score function (force field) can be modified so as to allow the direct application of a dynamic programming algorithm to the problem. This involves an approximation whose damage can be minimized by an optimization process during score function parameter determination. The method is compared to sequence to structure alignments using a more conventional pair-wise score function and the frozen approximation. The new method produces results comparable to the frozen approximation, but is faster and has fewer adjustable parameters. It is also free of memory of the template's original amino acid sequence, and does not suffer from a problem of nonconvergence, which can be shown to occur with the frozen approximation. Alignments generated by the simplified score function can then be ranked using a second score function with the approximations removed. (C) 1999 John Wiley & Sons, Inc.