O uso de diferentes tipos de medicação intracanal para o controle do processo infeccioso, principalmente nos casos em que há presença de microrganismos resistentes às manobras de desinfecção, tem sido alvo de muitas pesquisas. A proposta deste estudo foi avaliar, in vitro, o efeito antimicrobiano de bacteriófagos específicos diante de cinco cepas de Enterococcus faecalis e a ação de um lisado híbrido polivalente na eliminação da infecção causada por essas cinco cepas da mesma espécie. Foram utilizados 37 dentes unirradiculares humanos, recentemente extraídos e de proporções aproximadas. As coroas foram removidas e os canais instrumentados até a lima tipo K de número 45. Os espécimes foram, então, esterilizados e utilizados em dois experimentos distintos. O primeiro experimento utilizou 25 raízes divididas em cinco grupos de cinco espécimes. Três espécimes de cada grupo foram inoculados com uma das culturas bacterianas e seus fagos correspondentes na proporção 1:1, por um período de três horas a 37 °C, enquanto os outros dois, receberam a cultura de microrganismos ou somente meio de cultura (controle positivo e negativo, respectivamente). No segundo experimento, 11 espécimes receberam um inóculo formado pelas cinco cepas por um período de 10 dias de incubação a 37 °C, com o propósito de manter condições apropriadas para a penetração das bactérias no interior dos túbulos dentinários, e um outro espécime recebeu apenas meio de cultura (controle negativo). Essa penetração foi confirmada empregando-se microscopia ótica e eletrônica realizada em dois espécimes. Após o período de incubação, o lisado polivalente, preparado com os cinco fagos, foi aplicado por 24 horas a 37 °C em 8 espécimes, e os demais preenchidos com meio de cultura (controle positivo e negativo). Alíquotas do interior de todos os canais foram colhidas antes e depois do contato com os fagos e no segundo experimento, também 24 e 48 horas depois, para semeadura e contagem de unidades formadoras de colônia. Os resultados do primeiro experimento mostraram 100% de redução do crescimento bacteriano nos espécimes que receberam a suspensão de fagos específicos, em comparação a seus respectivos controles positivos, em todos os grupos. No segundo experimento, foi comparado o crescimento obtido após os 10 dias de infecção com aquele posterior a aplicação dos fagos, redução que variou entre 50% e 100%. Diante desses resultados, conclui-se que os bacteriófagos foram eficazes na diminuição dos microrganismos presentes no interior de canais radiculares e nos túbulos dentinários de dentes humanos. / Many studies have investigated different intracanal medications to control infection processes, especially in cases of microbial resistance to disinfection procedures. The purpose of this study was to evaluate the in vitro antimicrobial effect of specific bacteriophages on five isolates of Enterococcus faecalis, as well as the activity of a lysate cocktail in eliminating the infection caused by these bacteria. Thirty-seven recently extracted human teeth of approximately equal size and with single roots were used. The crowns were removed and each canal was prepared using K files,up to # 45, and sterile physiological saline. Specimens were then sterilized and used in two separate studies. The first study utilized 25 individual roots divided into five groups of five specimens each. Three specimens of each group were inoculated with one of the bacterial cultures and the corresponding bacteriophage in a proportion of 1:1, and incubated for three hours at 37°C; the other two specimens were inoculated with only the bacterial culture or only the culture medium (positive and negative controls, respectively). In the second study, 11 specimens were inoculated with all five strains and incubated for ten days at 37°C in order to allow bacteria to penetrate the interior of the dental tubules, and another one, received just the culture medium (negative control). Penetration into the tubules was confirmed by optical and electron microscopy of two specimens. Following incubation, the lysate cocktail prepared using all five bacteriophages was applied to the other 8 specimens for 24 hours at 37°C, and 2 specimens were filled with the culture medium (positive and negative controls). In the first study, samples were taken from the lumen of all canals before and after contact with bacteriophages; in the second, aliquots were also taken 24 and 48 hours after the bacteria were exposed to the phages. All samples were diluted and plated and the number of colony forming units was counted. In the first study, there was a 100% reduction in bacterial growth in specimens that received the specific bacteriophage suspension compared to the positive controls within each group. In the second study, after ten days the number of bacteria was reduced by 50% to 100% following the bacteriophage application. These results suggest that bacteriophages are effective in reducing the number of bacteria inside the root canal and in the dental tubules of human teeth.

Atualmente, os materiais luminescentes que apresentam a luminescência persistente tem ganhando um destaque devido a capacidade de emitir luz por um período de tempo que pode variar de minutos à horas depois de cessada a excitação. Todavia, não há um grande número de estudos quantitativos a respeito dos fatores que influenciam esse fenômeno. Dessa forma, para o estudar do efeito do band gap na luminescência persistente comparou-se as propriedades de duas matrizes similares. A matriz ortossilicato de cádmio, Cd2SiO4, foi comparada com a matriz metassilicato de cádmio, CdSiO3, já descrita na literatura. A matriz ortossilicato de cádmio não dopada e dopada com íons terra rara foi sintetizada via síntese de estado sólido pelo método cerâmico a 1050 °C. A caracterização e o estudo da pureza se deram através das técnicas difração de raios X (DRX) usando radiação Síncrotron e CuKα. O estado de oxidação foi estudado usando espectroscopia de absorção de raios X próximo a borda (XANES) com radiação Síncrotron. As propriedades luminescentes foram compreendidas pelos experimentos de fotoluminescência no UV-Vis e espectroscopia com radiação Síncrotron na região do UV vácuo. Os difratogramas mostraram a presença de pequenas porcentagens de impurezas e a obtenção da fase pura para o Cd2SiO4:Pr3+. O espectro de XANES mostrou a presença apenas de íons terras raras trivalentes. O valor do band gap para a matriz ortossilicato de cádmio em 4,1 eV foi determinado utilizando espectros de excitação e emissão em 77 K dos materiais Cd2SiO4 e Cd2SiO4:Gd3+. Os espectros de excitação e emissão dos materiais Cd2SiO4:Pr3+ e Cd2SiO4:Tb3+ permitiram a comparação das propriedades luminescentes entre a fase ortossilicato e metassilicato, além de indicar a posição de alguns níveis 5d dentro da banda de condução. Com os dados obtidos foi proposto um mecanismo de luminescência persistente para o íon Pr3+ que mostrou-se muito mais eficiente nessa matriz em relação ao metassilicato de cádmio, comportamento oposto ao observado com os íons Tb3+, devido às suas posições dentro do band gap da matriz / Persistent luminescence materials have gained special attention lately due to their special property of emitting light for long time after ceased irradiation. However, hitherto, there is no deep quantitative analysis on the factors that affects this phenomenon. On this way, we compared the persistent luminescence properties on two similar inorganic hosts differing only in their band gap energies. The cadmium orthosilicate (Cd2SiO4) was compared to the cadmium metasilicate (CdSiO3) already well described in literature. The non-doped and rare earth doped cadmium orthosilicate were prepared with solid state synthesis at 1050 °C. The characterization and phase purity study were made with X-ray diffraction techniques using both Synchrotron and CuαK radiation. The oxidation state was studied with Synchrotron radiation X-ray absorption Near Edge structure measurements (XANES). The photoluminescence study was done with UV-Vis and VUV-UV emission and excitation spectroscopies. The XRD patterns allowed the determination of the phase purity and confirmed the preparation of pure Cd2SiO4:Pr3+. XANES data confirmed the presence of only trivalent rare earths. The band gap was determined as 4.1 eV with the 77 K excitation spectra of Cd2SiO4 and Cd2SiO4:Gd3+. The excitation spectra of Cd2SiO4:Pr3+ and Cd2SiO4:Tb3+ allowed the comparation between the optical properties of meta- and orthosilicate crystal phases like the position of 5d levels which are inside Cd2SiO4 conduction band. The obtained data allowed the proposition of a persistent luminescence mechanism for Pr3+ ion, considerably more efficient on orthosilicate when compared to metasilicate. This behavior is on the opposite way to the one observed for Tb3+ ions, due to their position in the band gap.

One of the most promising routes to create advanced materials is self-assembly. Self-assembly refers to the self-organisation of building blocks to form ordered structures. As the properties of the self-assembled materials will inherit the properties of the basic building blocks, it is then possible to engineer the properties of the materials by tailoring the properties of the building blocks. In order to create mesoscale materials, the self-assembly of molecular building blocks of different sizes and interactions is important. Mesoscopic materials can be obtained by using larger building blocks such as nano and colloidal particles. Colloidal particles are particularly attractive as building blocks because it is possible to design interparticle interactions by controlling both the chemistry of the particles' surface and the properties of the solvent in which the particles are immersed. The self-assembly of spherical colloidal particles has been widely reported in the literature. However, advances in experimental techniques to produce particles with different shapes and sizes have opened new opportunities to create more complex structures that cannot be formed using spherical particles. Indeed, the particles' shape and effective interactions between them dictate the spatial arrangement and micro-structure of the system, which can be engineered to produce functional materials for a wide range of applications. The driving forces determining the self-assembly of colloidal particles can be modified by the use of external influences such as geometrical confinement and electromagnetic forces. Geometrical confinement, for example, has been used to design quasi two-dimensional materials such as multi-layered structures of spheres, dimers, rods, spherical caps, and monolayers of platelets with various geometries and symmetries. In this dissertation, we present three computer simulations studies using Monte Carlo and Molecular Dynamics simulations determining the self-assembly of monolayer colloidal platelets with different shapes confined in two dimensions. These particles have been selected due to recent experiments in colloidal particles with similar shapes. All the particles' models are represented by planar polygons, and three different effects affecting their self-assembly have been analysed: (a) the curvature of the particles' vertices; (b) the curvature of the particles' edges; and finally (c) the addition of functional groups on the particles' surface. These studies aim to demonstrate that the subtle changes on the particle's shape can be used to engineer complex patterns for the fabrication of advanced materials. Monte Carlo simulations are performed to study the self-assembly of colloidal platelets with rounded corners with 4, 5, and 6-fold symmetries. Square platelets provide a rich phase behaviour that ranges between disorder-order and order-order phase transitions. Suprisingly, the disk-like shape of pentagons and hexagons prevents the total crystallisation of these systems, even at a high pressure state. A hysteresis gap is observed by the analysis of compression and expansion runs for the case of square platelets and the thermodynamic method known as direct coexistence method is used to be accurately determined the point of the order-order transition. Further, unexpected results are obtained by performing Molecular Dynamics simulations in systems with platelets with 3, 4, 5, and 6-fold symmetries when all the sides of each polygon are curved. Macroscopic chiral symmetry breaking is observed for platelets with 4 and 6-fold symmetries, and for the first time a rule is promoted to explain when these chiral structures can be formed driven only by packing effects. This unique rule is verified also for platelets with the same curved sides as previously when functional chains tethered to either vertices or sides. Indeed, square platelets with curved sides confined in two dimensions can form chiral structures at medium densities when flexible chains tethered to either vertices or sides. Triangular platelets with curved sides can form chiral structures only when the chains are tethered to the corners, since the chains experience an one-hand rotation to sterically protect one side. When the chains are symmetrically tethered to the sides, local chiral symmetry breaking is observed as both left-hand and right-hand sides on each vertex are sterically protected allowing the same probability for rotation either in clockwise or anticlockwise direction.

Submitted by Celso Magalhaes (celsomagalhaes@ufrrj.br) on 2017-09-18T13:59:23Z No. of bitstreams: 1 2017 - Verona Borges Ferreira.pdf: 1252759 bytes, checksum: 291a4f24b8d135e118f8e80afed31cfd (MD5) / Made available in DSpace on 2017-09-18T13:59:23Z (GMT). No. of bitstreams: 1 2017 - Verona Borges Ferreira.pdf: 1252759 bytes, checksum: 291a4f24b8d135e118f8e80afed31cfd (MD5) Previous issue date: 2017-02-21 / Coordena??o de Aperfei?oamento de Pessoal de N?vel Superior - CAPES / Brazil is among the world?s largest fish producers, and the state of Rio de Janeiro is one of the main responsible for this production. In addition, there is a substantial increase in fish consumption which is associated to its functional and nutritional properties, such as its lipid profile. Today the hydrographic bays of Rio de Janeiro suffer the impacts of excessive use of toxic substances, such as Organoclorine Pesticides (OCPs), which has a characteristic lipophilicity and tend to accumulate in adipose tissue of organisms. As a consequence, this may pose risk to consumers of fish from polluted environments. The human exposure to these pollutants is highly related to health problems, such as cancer, immunity diseases and endocrine disruptions. Thus, the present study aims at investigating the occurence of OCPs in sardine (Sardinella brasiliensis), whitemouth croaker (Micropogonias furnieri) and mullet (Mugil liza) from Guanabara Bay, located in the state of Rio de Janeiro, and also to estimate the OCPs intake through fish consumption. The analyses were carried out at the Laboratory of de Radioisotopes Eduardo Penna Franca at UFRJ. The analitical steps included sohxlet extration, purification and subsequent injection in a Gas Chromatography system coupled to a Mass Spectrometer on Negative Chemical Ionization mode (GC/MS/ENCI) to determine the OCPs concentrations. The estimative of the toxic compound intake was performed based on the obtained data for OCP in fish samples, the fish intake of the brazilian population, andavailable data of Acceptable Daily Intake (ADI) for each investigated pesticide. All samples had at least one OCP. Metoxichlor had the highest concentration for the three studied species. There was significant difference between the species concerning the concentration of o,p?-DDD and o,p?-DDT. These DDT metabolites were found at higher concentration in sardine samples in comparison to croaker and mullet ones. However, there was no significant difference between the species in relation to ?OCP. It was evidenced the greater proportion of DDE among the DDT metabolites which suggests the past use of this pesticide. Results for ?-HCH isomer indicate the contamination by the use of Lindane instead of the technical HCH mixture. There was no significant difference among the contamination of the three studied species in regard to sample's acquisition locations, showing that the locality does not influence the content of OCPs in fish, probably due the species behavior which travel big distances along the brazilian coast throughout their life cycle. No sample exceeded the maximum residue limit stipulated for OCPs at both national or international level. Based on the estimated intake data no species exceeded the toxicological safety parameter. Thus, the three studied fish species can be considered safe for human consumptiom in regard to OCPs exposure / O Brasil est? entre os maiores produtores mundiais de pescado, sendo o estado do Rio de Janeiro um dos principais respons?veis por essa produ??o. Al?m disso, existe um aumento substancial do consumo de peixes, que est? associado ? suas propriedades nutricionais e funcionais, como o seu excelente perfil lip?dico. As bacias hidrogr?ficas do Rio de Janeiro sofrem hoje os impactos do uso excessivo de subst?ncias t?xicas, como os Pesticidas Organoclorados (OCPs), que devido ? caracter?stica lipof?lica, tendem a se acumular no tecido adiposo de organismos aqu?ticos, o que pode representar um risco a sa?de de quem consome pescado oriundos de ambientes contaminados. Por sua vez, a exposi??o humana a estes poluentes est? altamente relacionada a problemas de sa?de, tais como o surgimento de c?ncer, problemas de imunidade e interfer?ncias end?crinas. Desta forma, o presente estudo tem por objetivo investigar a ocorr?ncia de OCPs em amostras de sardinha-verdadeira (Sardinella brasiliensis), corvina (Micropogonias furnieri) e tainha (Mugil liza) capturados na Ba?a de Guanabara, localizada no estado do Rio de Janeiro, assim como estimar a ingest?o de OCPs por meio do consumo de pescado. As an?lises foram realizadas no Laborat?rio de Radiois?topos Eduardo Penna Franca da UFRJ, atrav?s de sua extra??o, purifica??o e posterior inje??o em um sistema de Cromatografia Gasosa acoplada a um Espectr?metro de Massa por ioniza??o qu?mica negativa (CG/EM/NCI) para determinar as concentra??es de OCPs. Para estimar a ingest?o desses compostos t?xicos foram utilizados os dados de contamina??o das amostras, consumo do pescado pela popula??o brasileira, assim como os dados de Ingest?o Di?ria Aceit?vel (IDA) para cada contaminante. Todas as amostras investigadas estavam contaminadas com pelo menos um OCP, o Metoxicloro foi o pesticida encontrado em maior concentra??o nas tr?s esp?cies estudadas e houve diferen?a significativa entre as esp?cies em rela??o a concentra??o de o,p?-DDD e o,p?-DDT, estes metab?litos do DDT foram encontrados em maior concentra??o nas amostras de sardinha-verdadeira em rela??o as amostras de corvina e tainha, entretanto n?o houve diferen?a significativa entre as esp?cies em rela??o ao ?OCP. Ficou evidenciada a maior propor??o do DDE entre os metab?litos de DDT, n?o sugerindo o uso recente deste pesticida, e do is?mero ?-HCH entre os demais is?meros de HCH, evidenciando a contamina??o pelo uso de Lindano em rela??o ao HCH t?cnico. N?o houve diferen?a significativa entre a contamina??o das tr?s esp?cies com base nos diferentes pontos de coleta, demonstrando que a localidade de aquisi??o do pescado n?o influenciou no teor dessas subst?ncias, uma vez que estas esp?cies ao longo de seu ciclo de vida percorrem grandes dist?ncias pela costa brasileira. Nenhuma amostra excedeu os limites m?ximos de res?duo estipulados para esses contaminantes tanto a n?vel de regulamenta??o nacional quanto internacional. Com base nos dados de estimativa de ingest?o nenhuma esp?cie excedeu o par?metro toxicol?gico de seguran?a, sendo assim, as tr?s esp?cies estudadas s?o consideradas seguras para o consumo humano em rela??o a exposi??o a OCPs

<p>U okviru disertacije analizirano je prisustvo različitih postojanih zagađujućih<br />materija u abiotskim i biotskim uzorcima iz različitih regiona, uključujući i uzorke<br />zemlji&scaron;ta iz Novog Sada i okolnih naselja, i to zagađujuće materije organskog<br />(policiklične aromatične ugljovodonike, polihlorovane bifenile i organohlorne<br />pesticide) i neorganskog (te&scaron;ki elementi) porekla. Dobijeni rezultati uvr&scaron;teni su u<br />baze zajedno sa relevantnim podacima iz međunarodnih radova i na taj način<br />formirane su baze koje prevazilaze lokalne interese pojedinačnih istraživanja.<br />Primenom multivarijacionih metoda analize ovakvih baza utvrđen je stepen<br />zagađenosti ispitivanih uzoraka u odnosu na rezultate iz literature, a takođe je<br />razmatrana struktura formiranih multidimenzionalnih baza sa ciljem analize<br />raspodele postojanih zagađujućih jedinjenja u posmatranim matriksima i<br />identifikacije zajedničkih izvora zagađenja. Primenom različitih (matematičkih)<br />predtretmana podataka u bazama, a zatim njihovom analizom izabranim<br />multivarijacionim metodama, izvr&scaron;ena je procena uticaja predtretmana na<br />rezultate i mogućnosti njihove interpretacije, kao i ispitivanje zavisnosti između<br />posmatranih veličina i grupisanje uzoraka. Specifični ciljevi istraživanja su<br />omogućili da se:<br />- utvrde sličnosti i razlike pri kori&scaron;ćenju različitih načina izražavanja<br />analitičkih rezultata (apsolutne vrednosti koncentracije nasuprot relativnih<br />procentualnih udela, tzv. kompozicionih podataka) u okviru baza<br />podataka i pri izdvajanju informacija iz multidimenzionalnih baza<br />primenom multivarijacionih metoda,<br />- utvrdi uticaj različitih načina pripreme (obrade) podataka pre primene<br />multivarijacionih metoda radi dobijanja potpunijih informacija u cilju bolje<br />interpretacije podataka i smanjenja dimenzija baza podataka;<br />- ispitaju regionalne i vremenske razlike i/ili sličnosti između prisustva<br />posmatranih jedinjenja u abiotskim i biotskim matriksima radi uočavanja<br />dominantnih izvora zagađenja u određenim oblastima i vremenskim<br />periodima uz istovremenu karakterizaciju eksperimentalno ispitanih<br />uzoraka u odnosu na uzorke iz drugih regiona.<br />Postignuti rezultati predstavljaju jedinstvene rezultate primene multivarijacionih<br />metoda na bazama sastavljenim od podataka dobijenim u različitim<br />istraživanjima iz sveta o prisustvu postojanih zagađujućih materija u izabranim<br />abiotskim i biotskim uzorcima, doprinoseći tako analizi njihove op&scaron;te raspodele.</p> / <p>Presence of different pollutant classes of both organic (polycyclic aromatic<br />hydrocarbons, polychlorinated biphenyls and organochlorine pesticides) and<br />inorganic origin (heavy elements) were analysed in abiotic and biotic matrices<br />from various regions, including Novi Sad and its surrounding settlements.<br />Obtained results with available data published in the international articles were<br />included in the sets, forming the input matrices to be analysed by chemometric<br />techniques. Analysis of the created sets of data by multivariate approach was<br />performed due to determining pollution level of the investigated samples, as well<br />to elucidate the persistent pollutants distribution and profiles in the selected<br />matrices and to identify the common pollution sources.<br />Using different treatments of a set of input data, influence of these procedures to<br />results was assessed.<br />Specific aims of investigation were:<br />Determination of similarity and differences by using different ways of data<br />expression (apsolute values of concentrations as apposed to relative percent<br />fraction) in interpreration of multidimension data sets on the basis of multivariate<br />statistical approach<br />Determination of different processing of data before multivariate statistical<br />methods due to obtaining adequate information for interpretation of data and<br />reducing a set of original variables<br />Examination of regional and temporal differences and/or similarity among<br />presence of observed compounds in abiotic and biotic matrices due to<br />identification of dominant pollutant sources as well as comparative<br />characterisation of experimantally obtained data in relation to samples from<br />another regions worldwide.<br />Achieved results are unique examples of multivariate methods application on<br />large data sets with results on the occurance of pesistent organic compounds in<br />abiotic and biotic matrices obtained in different studies all over the world.</p>

Dans cette thèse, la modélisation d'un bioréacteur à membranes immergées (BaMI) et son évaluation avec des valeurs expérimentales de BaMI à l'échelle du banc et à l'échelle pilote pour le traitement des effluents résiduels urbains et hospitaliers, ont été étudiées respectivement. L'objectif principal de ce travail était de développer un nouveau modèle intégré plus phénoménologique pour la description du fonctionnement de ces systèmes. A cet effet, un nouveau modèle biologique a été développé en utilisant le modèle de boues activés 3 (ASM3 du l’anglais activated sludge model) et en tenant en compte la croissance et le stockage de substrat simultané, et la production de substances polymères extracellulaires solubles et liées, qui, conjointement avec des solides en suspension totales ont été les principales variables de lien avec le nouveau modèle de colmatage de la membrane, en tenant compte de l'influence de ces substances sur la porosité du gâteau. Une nouvelle procédure d'identification des paramètres pour la calibration en prenant en compte leurs influence sur le modèle et leur incertitude a été développé. Cette procédure a permis de calibrer et de valider avec succès les nouveaux modèles développés, en utilisant les données des systèmes étudiés. Parallèlement, une nouvelle méthodologie a été développée pour le fractionnement de la matière carboné selon les modèles ASM en tenant compte du phénomène de stockage du substrat. Enfin, une étude de la sensibilité paramétrique a été réalisé, où le modèle intégré a répondu de manière adéquate aux variations des principales variables qui influent sur le colmatage de la membrane, avec une élevée correspondance entre la plupart des cas et ce qui a été rapporté dans la littérature, mettant en évidence une fois de plus le caractère phénoménologique et la validité du nouveau modèle développé. / This thesis presents the modelling of a submerged membrane bioreactor (SMBR) using experimental values coming from SMBR at bench and pilot scale, for the treatment of urban and hospital wastewater respectively. The main objective of this work was to develop a global model integrating a biological model and a model for membrane fouling, with upgraded precision, consistency and calibration in the description of the functioning of these systems. For this, concerning the biological model, an evolution of the Activated Sludge Model 3 (ASM3), including the simultaneous growth and substrate storage, and the bound and soluble extracellular polymeric substances (EPS) production was proposed. The concentration of these EPS joined to those of the total suspended solids (TSS) are the variables transmitted to the new version of the membrane fouling model. This last one can take into account the influence of these substances in the cake porosity. A new procedure was developed to calibrate the parameters taking into account their influence on the model and their uncertainty. This procedure used the data obtained on experimental SMBR and respirometry. It allowed the calibration and successful validation of the developed model. At the same time, a methodology was adapted for the carbon material fractionation according to the ASM models taking into account the phenomenon of substrate storage. Finally, a parametric sensitivity study was conducted, where the global model achieved to respond adequately to the perturbations of the main variables that influence on the membrane fouling process. The high correspondence obtained between numerical and experimental results, as well as the ability of the model to explain most of the cases reported in the literature, evidence the relevance of phenomena considered in the model. Thus, the developed model is justified and the interest of the phenomenological feature of the model is highlighted.

In earth observation and climatological sciences, data and their data services grow on a daily basis in a large spatial extent due to the high coverage rate of satellite sensors, model calculations, but also by continuous meteorological in situ observations. In order to reuse such data, especially data fragments as well as their data services in a collaborative and reproducible manner by citing the origin source, data analysts, e.g., researchers or impact modelers, need a possibility to identify the exact version, precise time information, parameter, and names of the dataset used. A manual process would make the citation of data fragments as a subset of an entire dataset rather complex and imprecise to obtain. Data in climate research are in most cases multidimensional, structured grid data that can change partially over time. The citation of such evolving content requires the approach of "dynamic data citation". The applied approach is based on associating queries with persistent identifiers. These queries contain the subsetting parameters, e.g., the spatial coordinates of the desired study area or the time frame with a start and end date, which are automatically included in the metadata of the newly generated subset and thus represent the information about the data history, the data provenance, which has to be established in data repository ecosystems. The Research Data Alliance Data Citation Working Group (RDA Data Citation WG) summarized the scientific status quo as well as the state of the art from existing citation and data management concepts and developed the scalable dynamic data citation methodology of evolving data. The Data Centre at the Climate Change Centre Austria (CCCA) has implemented the given recommendations and offers since 2017 an operational service on dynamic data citation on climate scenario data. With the consciousness that the objective of this topic brings a lot of dependencies on bibliographic citation research which is still under discussion, the CCCA service on Dynamic Data Citation focused on the climate domain specific issues, like characteristics of data, formats, software environment, and usage behavior. The current effort beyond spreading made experiences will be the scalability of the implementation, e.g., towards the potential of an Open Data Cube solution.

Polybrominated diphenyl ethers (PBDEs) have been used as flame retardants in a number of common household and commercial products around the world. PBDEs enter the environment in a variety of ways, such as through emissions, leaching from end-of-life electronics in landfills, and incineration. While many countries have phased out the manufacturing of penta-, octa-, and deca-PBDEs or have banned the manufacture and use of these congeners altogether, these persistent organic pollutants (POPs) continue to be detected in humans and the environment. This study investigates spatial and temporal variations of selected PBDEs in the air of the Nandamojo watershed area in Costa Rica by comparing air concentrations of PBDEs in the dry winter vs. wet summer seasons and rural vs. urban areas and also investigates the impact of anthropogenic activities on air concentration of PBDEs. This study is significant to the field, because there are no baseline studies nor are there currently any monitoring programs to assess the environmental levels of PBDEs or other POPs for this region of the Guanacaste province. Baseline information is needed to track spatial and temporal trends as well as evaluate the effectiveness of control measures employed nationally and internationally. Samples obtained from passive air sampling devices were analyzed via GC/MS for a number of congeners. PBDE-47 and -99 were found to be the congeners present in greatest concentration in air samples from the Nandamojo watershed area. Air concentrations were estimated assuming an average sampler uptake rate of 3.5 m3/day and ranged as follows: ΣPBDE5 35.20-1549.25 pg/m3 over the entire study. The presence of PBDEs in remote and pristine environments indicates that PBDEs are now a global concern. This study suggests that the spatial and temporal distribution patterns observed are strongly related to anthropogenic activities and presence of a population similar to that observed in other studies. The presence of PBDEs has become a global issue and, as such, these results provide background information on air concentrations of PBDEs for use in a global-scale multimedia model. In order to monitor PBDEs globally, it is imperative to implement and/or expand surveillance programs internationally.

Polychlorinated Biphenyls (PCBs) are persistent organic pollutants known for their toxicological effects. Though industrial production of legacy PCBs was banned in 1977, they can still be measured in nearly all environmental matrices. The Chicago Sanitary and Ship Canal (CSSC) is lined with industry and the receiving waters to the Stickney Water Reclamation Plant, the World's largest waste water treatment plant and was therefore speculated to be a potential source of PCBs to the Greater Chicago Area. Surficial sediment samples were acquired along a 45 km stretch of the CSSC, from Kedzie Ave. to Lockport. PCBs in the bulk sediment were extracted using accelerated solvent extraction while PCBs in the porewater were extracted using solid phase micro extraction. The PCBs were identified and quantified using a variation on EPA method 1668C. A total of 176 individual and coeluting PCBs were identified and quantified in this study. The sum of PCB concentrations in the bulk sediment was found to range from 70 to 4970 ng/g dry wt. The sum of PCB concentrations in the freely dissolved sediment-porewater was found to range from 2 to 366 ng/L. The bulk and porewater concentrations were used to estimate an average mass flow rate of PCBs through the CSSC of 368 kg/y. The large mass flow rate of PCBs passing through the CSSC and the fact that the CSSC connects Lake Michigan to the Mississippi River suggest that continued monitoring of PCB concentrations are necessary to better understand the transport and fate of PCBs in and out of the Great Chicago Area.

Le cancer de la prostate (CaP) est la pathologie tumorale la plus fréquente chez les hommes dans les pays occidentaux. L’âge avancé, les origines ethno-géographiques et la présence d’antécédents familiaux de CaP sont les principaux facteurs de risque clairement établis. Les expositions aux substances chimiques issues de l’activité humaine, en particuliers ceux présentant des propriétés hormonales (perturbateurs endocriniens), sont suspectées. L’objectif général cette thèse est d’étudier le rôle de certains polluants universels présentant des propriétés hormonales, tels que le DDE (principal métabolite du DDT) et les PCBs, ainsi que celui des polymorphismes de gènes codant pour des enzymes intervenant dans le métabolisme des xénobiotiques (GSTM1, GSTT1) et des œstrogènes (CYP17, CYP19, CYP1B1, COMT, UGT1A1) dans la survenue du CaP ou de sa récidive après traitement par prostatectomie radicale. Ce projet s’appuie sur les données obtenues lors de l’étude cas-témoins en population générale en Guadeloupe (KARUPROSTATE) et de la file active des cas traités par prostatectomie radicale. / Prostate cancer (PCa) is the most frequent type of cancer in Western countries. Advanced age, ethno-geographic origin and the presence of a family history of CaP are the main clearly established risk factors. The effects of exposure to synthetic chemicals with hormonal properties, also called endocrine disruptors (EDCs), on PCa are also are suspected. The main objective of this thesis is to evaluate the relationships between plasma concentration of persistent organochlorine pollutants with hormonal properties, such as DDE (the main metabolite of DDT) and PCBs as well polymorphisms of selected genes involved in xenobiotic (GSTM1, GSTT1) and estrogens (CYP17, CYP19, CYP1B1, COMT, UGT1A1) metabolism, and the occurrence of PCa or its recurrence after treatment with radical prostatectomy. This project is based on data obtained from the population-based case-control study (KARUPROSTATE) in Guadeloupe and from cases treated by radical prostatectomy.