694 resultados para nanoporous templates


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Tämä diplomityö käsittelee Andritz Oy:n BFB-voimalaitosten tarjoustoimintaan kehitettävää esisuunnitteluohjelmistoa. Tässä työssä on esitelty kattiloiden tarjoustoimintaan liittyviä seikkoja etenkin laskennan ja tekniikan näkökulmasta. Työssä on myös koottu tietoa polttoaineista ja BFB-kattiloiden suunnittelusta ja mitoituksesta. Työn aikana kehitettiin ohjelmisto, jolla on mahdollista luoda eri BFB-kattila tarjousprojekteja. Projekteille on mahdollista luoda useita eri taselaskelmia eri lähtöarvoilla ja useilla eri polttoaineilla, sekä niiden seoksilla. Ohjelmakehityksessä painotettiin suunnittelun joustavuutta eri konfiguraatioille, mahdollisimman tarkkaa laskentaa ja ylläpidon merkitystä. Ohjelmistokehityksessä päätettiin käyttää Microsoft Excel ohjelmistoa laskentaympäristönä. Tällöin pystyttiin luomaan käyttäjille tuttu käyttöympäristö ja mahdollistaa vanhojen hyväksi todettujen laskentapohjien käyttö apuna kehityksessä. Tämä mahdollistaa myös ylläpidon toimialueen ammattilaisten toimesta jatkossa.

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Tämän diplomityön tavoitteena on selkeyttää apteekin ydinprosesseja mallintamalla prosessit ja tehostaa apteekin tiedonhallintaa sähköisen toimintajärjestelmän avulla. Ydinprosessien mallintaminen lisää apteekin työntekijöiden tietoisuutta prosessien oikeasta suoritustavasta. Dokumenttien sijoittaminen yhteen paikkaan helpottaa niiden löytymistä ja käytettävyyttä. Tässä työssä tutkittiin yhtä yritystä, joten tutkimusmenetelmänä käytettiin tapaustutkimusta. Työn keskeinen sisältö rakentuu tiedonhallinnan, prosessijohtamisen sekä sähköisen toimintajärjestelmän teorioiden pohjalta. Teoriaa hyödynnetään käytännön tutkimuksessa, jossa kartoitetaan apteekin dokumentit ja kehitetään niiden organisointia. Työssä tunnistetaan ja mallinnetaan apteekin ydinprosessit sekä kerätään tietoa niiden ongelmakohdista. Apteekin ydinprosesseiksi tunnistettiin reseptiasiakkaan palvelu ja neuvonta, itsehoitoasiakkaan palvelu ja neuvonta, kotisairaanhoidon ja hoivakotien palvelu sekä tavaranhallinta. Apteekissa luodut dokumentit luokiteltiin toimintaohjeiksi, työohjeiksi, lomakkeiksi ja rekisteriselosteiksi. Työn tuloksena apteekin tiedonhallinta tehostui dokumenttien sähköistämisellä ja organisoinnilla toimintajärjestelmään. Ydinprosessien mallintaminen selkeytti apteekin ydinprosesseja sekä lisäsi työntekijöiden tietoisuutta prosessien oikeasta toimintatavasta.

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Social tagging evolved in response to a need to tag heterogeneous objects, the automated tagging of which is usually not feasible by current technological means. Social tagging can be used for more flexible competence management within organizations. The profiles of employees can be built in the form of groups of tags, as employees tag each other, based on their familiarity of each other’s expertise. This can serve as a replacement for the more traditional competence management approaches, which usually become outdated due to social and organizational hurdles, and obsolete data. These limitations can be overcome by people tagging, as the information revealed by such tags is usually based on most recent employee interaction and knowledge. Task management as part of personal information management aims at the support of users’ individual task handling. This can include collaborating with other individuals, sharing one’s knowledge, both functional and process-related, and distributing documents and web resources. In this context, Task patterns can be used as templates that collect information and experience around tasks associated to it during run time, facilitating agility. The effective collaboration among contributors necessitates the means to find the appropriate individuals to work with on the task, and this can be made possible by using social tagging to describe individual competencies. The goal of this study is to support finding and tagging people within task management, through the effective exploitation of the work/task context. This involves the utilization of knowledge of the workers’ expertise, nature of the task/task pattern and information available from the documents and web resources attached to the task. Vice versa, task management provides an excellent environment for social tagging due to the task context that already provides suitable tags. The study also aims at assisting users of the task management solution with the collaborative construction of light-weight ontology by inferring semantic relations between tags. The thesis project aims at an implementation of people finding & tagging within the java application for task management that consumes web services, which provide the required ontology for the organization.

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Biorefining is defined as sustainable conversion of biomass into marketable products and energy. Forests cover almost one third of earth’s land area, and account for approximately 40% of the total annual biomass production. In forest biorefining, the wood components are, in addition to the traditional paper and board products, converted into chemicals and biofuels. The major components in wood are cellulose, hemicelluloses, and lignin. The main hemicellulose in softwoods, which are of interest especially for the Nordic forest industry, is O-acetyl galactoglucomannan (GGM). GGM can be isolated in industrial scale from the waste waters of the mechanical pulping process, but is not yet today industrially utilized. In order to attain desired properties of GGM for specific end-uses, chemical and enzymatic modifications can be performed. Regioselective modifications of GGM, and other galactose-containing polysaccharides were done by oxidations, and by combining oxidations with subsequent derivatizations of the formed carbonyl or carboxyl groups. Two different pathways were investigated: activation of the C-6 positions in different sugar units by TEMPO-mediated oxidation, and activation of C-6 position in only galactose-units by oxidation catalyzed by the enzyme galactose oxidase. The activated sites were further selectively derivatized; TEMPO-oxidized GGM by a carbodiimide-mediated reaction forming amides, and GO-oxidized GGM by indium-mediated allylation introducing double or triple bonds to the molecule. In order to better understand the reaction, and to develop a MALDI-TOF-MS method for characterization of regioselectively allylated GGM, α-D-galactopyranoside and raffinose were used as model compounds. All reactions were done in aqueous media. To investigate the applicability of the modified polysaccharides for, e.g., cellulose surface functionalization, their sorption onto pulp fibres was studied. Carboxylation affects the sorption tendency significantly; a higher degree of oxidation leads to lower sorption. By controlling the degree of oxidation of the polysaccharides and the ionic strength of the sorption media, high degrees of sorption of carboxylated polysaccharides onto cellulose could, however, be obtained. Anionic polysaccharides were used as templates during laccase-catalyzed polymerization of aniline, offering a green, chemo-enzymatic route for synthesis of conducting polyaniline (PANI) composite materials. Different polysaccharide templates, such as, native GGM, TEMPO-oxidized GGM, naturally anionic κ-carrageenan, and nanofibrillated cellulose produced by TEMPO-oxidation, were assessed. The conductivity of the synthesized polysaccharide/PANI biocomposites varies depending on the polysaccharide template; κ-CGN, the anionic polysaccharide with the lowest pKa value, produces the polysaccharide/PANI biocomposites with the highest conductivity. The presented derivatization, sorption, and polymerization procedures open new application windows for polysaccharides, such as spruce GGM. The modified polysaccharides and the conducting biocomposites produced provide potential applications in biosensors, electronic devices, and tissue engineering.

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Poster at Open Repositories 2014, Helsinki, Finland, June 9-13, 2014

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Tässä työssä tutkitaan yrityksen tuoterakenteen toteuttamista olioparadigmalla osana vanhenevan tuotannonohjausjärjestelmän uudistamista. Työssä on tunnistettu olioparadigman keskeiset rakenteet sekä tarkasteltu suunnittelumalleja, joita hyödyntämällä voidaan määrittää ja toteuttaa monimutkaisia sekä laajennettavia tuoterakenteita. Työn tavoitteena oli muodostaa tuoterakenteen runko, jota muokkaamalla on mahdollista toteuttaa erityyppisiä tuoterakenteita. Työ on rajattu siten, että todellista tuoterakennetta ei toteuteta. Tutkimuksen tuloksena havaittiin, että oliokeskeisyydellä voidaan toteuttaa tuoterakenteita, joita on mahdollista tulevaisuudessa muokata yrityksen tarpeisiin mukauttaen siten, että tuoterakenteen runkoon ei tarvitse tehdä suuria muutoksia. Olioperusteisella lähestymisellä voidaan mallintaa hyvin erityyppisiä ja ymmärrettäviä käsitteitä. Oliokeskeisellä lähestymistavalla voidaan toteuttaa myös muut vanhenevan tuotannonohjausjärjestelmän osa-alueet.

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It has long been known that amino acids are the building blocks for proteins and govern their folding into specific three-dimensional structures. However, the details of this process are still unknown and represent one of the main problems in structural bioinformatics, which is a highly active research area with the focus on the prediction of three-dimensional structure and its relationship to protein function. The protein structure prediction procedure encompasses several different steps from searches and analyses of sequences and structures, through sequence alignment to the creation of the structural model. Careful evaluation and analysis ultimately results in a hypothetical structure, which can be used to study biological phenomena in, for example, research at the molecular level, biotechnology and especially in drug discovery and development. In this thesis, the structures of five proteins were modeled with templatebased methods, which use proteins with known structures (templates) to model related or structurally similar proteins. The resulting models were an important asset for the interpretation and explanation of biological phenomena, such as amino acids and interaction networks that are essential for the function and/or ligand specificity of the studied proteins. The five proteins represent different case studies with their own challenges like varying template availability, which resulted in a different structure prediction process. This thesis presents the techniques and considerations, which should be taken into account in the modeling procedure to overcome limitations and produce a hypothetical and reliable three-dimensional structure. As each project shows, the reliability is highly dependent on the extensive incorporation of experimental data or known literature and, although experimental verification of in silico results is always desirable to increase the reliability, the presented projects show that also the experimental studies can greatly benefit from structural models. With the help of in silico studies, the experiments can be targeted and precisely designed, thereby saving both money and time. As the programs used in structural bioinformatics are constantly improved and the range of templates increases through structural genomics efforts, the mutual benefits between in silico and experimental studies become even more prominent. Hence, reliable models for protein three-dimensional structures achieved through careful planning and thoughtful executions are, and will continue to be, valuable and indispensable sources for structural information to be combined with functional data.

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Diplomityössä tarkasteltiin Metsä Board Simpeleen voimalaitoksen energiaraportointi kokonaisuutta. Tarkastelun kohteena olivat lämpö-, sähkö- ja polttoaine-energiat. Tarkastelun pääpaino oli energian määritykseen tarvittavissa mittapisteissä sekä niistä muodostuvissa raporteissa. Työn tavoitteena oli saada luotettavat energiaraportit, jotka ovat jaoteltu selkeästi ja johdonmukaisesti. Tavoitteena oli myös vähentää kuukausiraportoinnin muodostamiseen tarvittavaa henkilötyöaikaa. Teoriaosuudessa käsitellään yleisesti voimalaitosprosessin toimintaa sekä siinä käytettäviä polttoaineita. Energiataseen muodostamisen perusteita tarkasteltiin voimalaitosprosessin kannalta. Energian määrityksiin käytettävät prosessimittaukset käytiin läpi. Raportointivelvollisuudet selvitettiin, niin tilastokeskuksien, kuin viranomaistenkin suuntaan. Työosuudessa perehdyttiin käytössä oleviin raportointikäytäntöihin sekä raporttipohjiin. Energialaskentayhtälöt ja parametrit tarkastettiin tarvittavilta osin. Työnaikana havaittiin nopeasti, että raportointi muodostetaan pitkälti Microsoft Excel-taulukkolaskentaohjelmiston avulla. Olemassa olevia automatisoituja raportteja ei hyödynnetty ollenkaan, koska niitä pidettiin epäluotettavina. Työn tuloksena automatisoidut kuukausiraportit tarkastettiin, virheet korjattiin ja ne otettiin käyttöön. Automaattisiin raportteihin tehtiin päivitysehdotukset uusista raporttipohjista. Viralliseen kuukausiraportointiin rakennettiin myös kokonaan uudet raportointipohjat, jotka hyödyntävät automaattisesti muodostuvia raportteja. Uudet raporttipohjat nopeuttivat raportointityötä merkittävästi. Polttoaine-energian hallintajärjestelmä todettiin vanhanaikaiseksi ja sen uusimista suositellaan. Uusinnalla raportointityö helpottuisi ja sen avulla siitä saataisiin kattavampi.

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Mesoporous metal oxides are nowadays widely used in various technological applications, for instance in catalysis, biomolecular separations and drug delivery. A popular technique used to synthesize mesoporous metal oxides is the nanocasting process. Mesoporous metal oxide replicas are obtained from the impregnation of a porous template with a metal oxide precursor followed by thermal treatment and removal of the template by etching in NaOH or HF solutions. In a similar manner to the traditional casting wherein the product inherits the features of the mold, the metal oxide replicas are supposed to have an inverse structure of the starting porous template. This is however not the case, as broken or deformed particles and other structural defects have all been experienced during nanocasting experiments. Although the nanocasting technique is widely used, not all the processing steps are well understood. Questions over the fidelity of replication and morphology control are yet to be adequately answered. This work therefore attempts to answer some of these questions by elucidating the nanocasting process, pin pointing the crucial steps involved and how to harness this knowledge in making wholesome replicas which are a true replication of the starting templates. The rich surface chemistry of mesoporous metal oxides is an important reason why they are widely used in applications such as catalysis, biomolecular separation, etc. At times the surface is modified or functionalized with organic species for stability or for a particular application. In this work, nanocast metal oxides (TiO2, ZrO2 and SnO2) and SiO2 were modified with amino-containing molecules using four different approaches, namely (a) covalent bonding of 3-aminopropyltriethoxysilane (APTES), (b) adsorption of 2-aminoethyl dihydrogen phosphate (AEDP), (c) surface polymerization of aziridine and (d) adsorption of poly(ethylenimine) (PEI) through electrostatic interactions. Afterwards, the hydrolytic stability of each functionalization was investigated at pH 2 and 10 by zeta potential measurements. The modifications were successful except for the AEDP approach which was unable to produce efficient amino-modification on any of the metal oxides used. The APTES, aziridine and PEI amino-modifications were fairly stable at pH 10 for all the metal oxides tested while only AZ and PEI modified-SnO2 were stable at pH 2 after 40 h. Furthermore, the functionalized metal oxides (SiO2, Mn2O3, ZrO2 and SnO2) were packed into columns for capillary liquid chromatography (CLC) and capillary electrochromatography (CEC). Among the functionalized metal oxides, aziridinefunctionalized SiO2, (SiO2-AZ) showed good chemical stability, and was the most useful packing material in both CLC and CEC. Lastly, nanocast metal oxides were synthesized for phosphopeptide enrichment which is a technique used to enrich phosphorylated proteins in biological samples prior to mass spectrometry analysis. By using the nanocasting technique to prepare the metal oxides, the surface area was controlled within a range of 42-75 m2/g thereby enabling an objective comparison of the metal oxides. The binding characteristics of these metal oxides were compared by using samples with different levels of complexity such as synthetic peptides and cell lysates. The results show that nanocast TiO2, ZrO2, Fe2O3 and In2O3 have comparable binding characteristics. Furthermore, In2O3 which is a novel material in phosphopeptide enrichment applications performed comparably with standard TiO2 which is the benchmark for such phosphopeptide enrichment procedures. The performance of the metal oxides was explained by ranking the metal oxides according to their isoelectric points and acidity. Overall, the clarification of the nanocasting process provided in this work will aid the synthesis of metal oxides with true fidelity of replication. Also, the different applications of the metal oxides based on their surface interactions and binding characteristics show the versatility of metal oxide materials. Some of these results can form the basis from which further applications and protocols can be developed.

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The study examines the buddy film genre and the representation of masculinity in relation to the homosocial and the homoerotic. As a genre, the buddy films focus on male relationships, thematically seeking to mediate the boundaries surrounding the homosocial continuum and the intimacy and eroticism implicit in male bonding. Theories of genre, gender and identity are used to analyze the construction of masculine identity within the films. By providing a qualitative analysis of films from the 1960s to contemporary times, the research establishes a relationship between social changes, attitudes toward men and depictions of men. The buddy films adapt to address changes in the representation of masculinity, embodied in the difference between the male couple in the films. The early films of the 1960s served as templates that deconstructed traditional representations of male identity through articulating the tension within homosocial relationships. However, in the later films this tension became a refle~ive convention, acting to undermine the eroticism onto a displaced Other. The buddy film genre highlights the tension inherent to the male masquerade. This tension is situated in the need to represent the protagonist's homosocial relationship, while disavowing the eroticism that surrounds homosocial bonding. The structure of the buddy film genre, which focuses on the exploration of masculinity and representing the bonds of homosocial intimacy, makes these films a significant site for investigating the cultural construction of masculine identities.

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EI Salvador presents an unfortunate history that includes a military regime and a civil war that together created a legacy of violence in which the country still struggle nowadays. Salud Escolar Integral (SEI) was created in 2005 as a program to combat youth violence throughout the re-formulation of physical education (PE) classes in public schools, promoting life skills learning that supports the resolution of conflicts with nonviolent ways. In 2007, SEI supported the creation of a physical e~ucation teacher education (PETE) degree at the Universidad Pedag6gica de EI Salvador (UPES), having the goal to assist pre-service teachers with a better understanding of humanistic principles. The present research analyzed if after attending all three years ofUPES PETE program, students presented high self-perception levels of competence and confidence related to attitude, skills and knowledge to teach PE within humanistic principles. Taking Personal and Social Responsibility (TPSR) was the theoretical framework used to analyze the development of humanistic principles. The study had a mixed-method longitudinal design that included questionnaires, reflection templates and interviews. In conclusion, although it is suggested that UPES should provide better support for the development of the teaching principles of empowering students and transfer learning, most of the humanistic principles were highly promoted by the program. At last, it is suggested that future research should track teachers' progress while teaching in schools, in order to analyze if the theory of promoting humanistic principles have also become a daily practice.

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Le mécanisme menant à des déformations structurales suivant le bombardement d'échantillons de a-Si d'un faisceau d'ions lourds et rapides est sujet de controverses. Nous nous sommes penchés sur l'hypothèse de la formation d'une zone liquide causée par la déposition d'énergie des ions incidents dans le contexte de la théorie du pic thermique. Des échantillons de silicium amorphe furent préparés dans le but d'observer les indices d'une transition de phase l-Si/a-Si suivant la déposition locale d'énergie sur le parcours d'un ion lourd énergétique dans le a-Si. Les échantillons furent implantés d'impuretés de Cu ou d'Ag avant d'être exposés à un faisceau d'ions Ag12+ de 70 MeV. L'utilisation de l'analyse GISAXS est projetée afin d'observer une concentration locale d'impuretés suivant leur ségrégation sur la trace de l'ion. Des masques d'implantation nanométriques d'oxide d'aluminium ont été fabriqués afin d'augmenter la sensibilité de l'analyse GISAXS et une méthode d'alignement de ces masques selon la direction du faisceau fut développée. Le bombardement d'échantillons au travers de ces masques a donné lieu à un réseau de sites d'impacts isolés presque équidistants.

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Une compréhension approfondie et un meilleur contrôle de l'auto-assemblage des copolymères diblocs (séquencés) et de leurs complexes à l'interface air/eau permettent la formation contrôlée de nanostructures dont les propriétés sont connues comme alternative à la nanolithographie. Dans cette thèse, des monocouches obtenues par les techniques de Langmuir et de Langmuir-Blodgett (LB) avec le copolymère dibloc polystyrène-poly(4-vinyl pyridine) (PS-PVP), seul ou complexé avec de petites molécules par liaison hydrogène [en particulier, le 3-n-pentadécylphénol (PDP)], ont été étudiées. Une partie importante de notre recherche a été consacrée à l'étude d'une monocouche assemblée atypique baptisée réseau de nanostries. Des monocouches LB composées de nanostries ont déjà été rapportées dans la littérature mais elles coexistent souvent avec d'autres morphologies, ce qui les rend inutilisables pour des applications potentielles. Nous avons déterminé les paramètres moléculaires et les conditions expérimentales qui contrôlent cette morphologie, la rendant très reproductible. Nous avons aussi proposé un mécanisme original pour la formation de cette morphologie. De plus, nous avons montré que l'utilisation de solvants à haut point d’ébullition, non couramment utilisés pour la préparation des films Langmuir, peut améliorer l'ordre des nanostries. En étudiant une large gamme de PS-PVP avec des rapports PS/PVP et des masses molaires différents, avec ou sans la présence de PDP, nous avons établi la dépendance des types principaux de morphologie (planaire, stries, nodules) en fonction de la composition et de la concentration des solutions. Ces observations ont mené à une discussion sur les mécanismes de formation des morphologies, incluant la cinétique, l’assemblage moléculaire et l’effet du démouillage. Nous avons aussi démontré pour la première fois que le plateau dans l'isotherme des PS-PVP/PDP avec morphologie de type nodules est relié à une transition ordre-ordre des nodules (héxagonal-tétragonal) qui se produit simultanément avec la réorientation du PDP, les deux aspects étant clairement observés par AFM. Ces études ouvrent aussi la voie à l'utilisation de films PS-PVP/PDP ultraminces comme masque. La capacité de produire des films nanostructurés bien contrôlés sur différents substrats a été démontrée et la stabilité des films a été vérifiée. Le retrait de la petite molécule des nanostructures a fait apparaître une structure interne à explorer lors d’études futures.

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Nous présentons un relevé et une analyse spectroscopiques de plus de 1300 naines blanches brillantes (V < 17.5) et riches en hydrogène. Des spectres dans le domaine du visible avec un rapport signal-sur-bruit élevé ont été obtenus et les données ont ensuite été analysées avec notre méthode spectroscopique habituelle qui compare les profils observés des raies de Balmer à des spectres synthétiques calculés à partir de la dernière génération de modèles d’atmosphère. D’abord, nous présentons une analyse détaillée de 29 naines blanches de type DAO utilisant une nouvelle grille de modèles qui inclut du carbone, de l’azote et de l’oxygène aux abondances solaires. Nous démontrons que l’ajout de ces métaux dans les modèles d’atmosphère est essentiel pour surmonter le problème des raies de Balmer qui empêche un ajustement simultané de toutes les raies de Balmer avec des paramètres atmosphériques cohérents. Nous identifions également 18 naines blanches chaudes de type DA qui souffrent aussi du problème des raies de Balmer. Des spectres dans l’ultraviolet lointain obtenus des archives du satellite FUSE sont ensuite examinés pour démontrer qu’il existe une corrélation entre les abondances métalliques élevées et les cas du problème des raies de Balmer. Les conséquences de ces résultats pour toutes les naines blanches chaudes et riches en hydrogène sont discutées. En particulier, le scénario évolutif pour les naines blanches DAO est révisé et nous n’avons plus besoin d’évoquer l’évolution post-EHB pour expliquer la majorité des étoiles DAO. Finalement, nous élaborons un scénario dans lequel les métaux engendrent un faible vent stellaire qui expliquerait la présence d’hélium dans les étoiles DAO. Ensuite, nous présentons les résultats globaux de notre relevé, ce qui inclut une analyse spectroscopique de plus de 1200 naines blanches de type DA. En premier lieu, nous présentons le contenu spectroscopique de notre échantillon qui contient de nombreuses classifications erronées ainsi que plusieurs naines blanches de type DAB, DAZ et magnétiques. Nous discutons ensuite des nouveaux modèles d'atmosphère utilisés dans notre analyse. De plus, nous utilisons des modèles de naines M pour obtenir de meilleures valeurs des paramètres atmosphériques pour les naines blanches qui sont membres de systèmes binaires DA+dM. Certaines naines blanches uniques et quelques systèmes binaires double-dégénérées sont également analysés de manière plus détaillée. Nous examinons ensuite les propriétés globales de notre échantillon incluant la distribution de masse et la distribution de masse en fonction de la température. Nous étudions également la façon dont les nouveaux profils de raies de Balmer affectent la détermination des paramètres atmosphériques. Nous testons la précision et la robustesse de nos méthodes en comparant nos résultats avec ceux du projet SPY, dans le cadre duquel plus de 300 des mêmes naines blanches ont été analysées d'une manière complètement indépendante. Finalement, nous faisons un retour sur la bande d'instabilité des naines blanches pulsantes de type ZZ Ceti pour voir quels effets ont les nouveaux profils de raies sur la détermination de ses frontières empiriques.

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Part of the research described in this thesis is conducted in collaboration with Centre d' étude et de Recherche sur les Macromolécules (CERM), Université de Liège, Sart-Tilman, Belgium