This report covers a project aimed at creating accessibility-adapted templates for a SaaS environment, in accordance with WCAG guidelines and the EN 301 549 standard. The work began with a comprehensive planning phase where a timeline was established and thorough research on the relevant guidelines was conducted. The research resulted in two checklists, one for forms and one for tables, specifying the criteria required to achieve accessibility for these components. The checklists were then used as a method for adapting the templates for accessibility. During the construction phase, the templates were developed using HTML and PHP to create dynamic content and functionality. Bootstrap was used to follow the company’s graphical profile, and ARIA attributes were added to improve accessibility. The templates were tested with tools such as the W3C Markup Validation Service and WAVE Evaluation Tool to ensure correctness and accessibility. The results showed that the templates were mostly correct, with only minor adjustments needed to achieve full accessibility. The project has successfully achieved its goals by delivering user-friendly and accessible templates. These templates are expected to reduce the workload for developers and integrate accessibility adjustments effectively into the development process. Future improvements may include the development of more templates and the integration of the WAVE tool into the ongoing development work. / Denna rapport behandlar ett projekt där målet här varit att skapa tillgänglighetsanpassade strukturmallar for en SaaS-miljö. Dessa skapades i enlighet med riktlinjerna från WCAG och standarden EN 301 549. Arbetet inleddes med en omfattande planeringsfas där en tidsplan upprättades och noggrann forskning om de relevanta riktlinjerna genomfördes. Forskningen resulterade i tva checklistor, en för formulär och en för tabeller, som specificerar de kriterier som krävs for ätt uppnå tillgänglighet for dessa komponenter. Checklistorna användes sedan som metod vid tillgänglighetsanpassning av strukturmallarna. Under konstruktionsfasen utvecklades mallarna med HTML och PHP för att skapa dynamiskt innehåll och funktionalitet. Bootstrap användes for att följa fallföretagets grafiska profil, och ARIA-attribut lades till for att förbättra tillgängligheten. Tester genomfördes med verktyg som W3C Markup Validation Service och WAVE Evaluation Tool för att säkerställa korrekthet och tillgänglighet. Resultaten visade att strukturmallarna i huvudsak var korrekta. For att uppnå full tillgänglighet krävdes endast mindre justeringar. Projektet har framgångsrikt uppfyllt sina mål genom att leverera användarvänliga och tillgängliga strukturmallar. Dessa mallar förväntas minska arbetsbördan för utvecklare och integrera tillgänglighetsanpassningar effektivt i utvecklingsprocessen. Framtida förbättringar kan inkludera utveckling av fler mallar och integration av WAVE-verktyget i det kontinuerliga utvecklingsarbetet.

Entre las actividades potencialmente contaminantes del suelo se encuentra la industria de obtención de cinc, que, a lo largo de la historia, ha generado cantidades importantes de residuos con elevados contenidos de metales pesados depositados en las inmediaciones de sus instalaciones hasta épocas recientes. Después de la promulgación del RD 9/2005, dicha contaminación y el riesgo que conlleva deberán ser evaluados en los diferentes emplazamientos. El objetivo de esta tesis es el estudio de la movilización natural y forzada de plomo, cadmio y arsénico bajo distintas condiciones medioambientales en residuos procedentes de la hidrometalurgia del cinc y en suelos industriales contaminados por los productos de alteración de dichos residuos, así como la relación que existe entre la movilización y las características químicas y mineralógicas de los mismos, ya que el conocimiento de estos materiales y de las condiciones de movilización de los metales estudiados puede ayudar al estudio metodológico de evaluación de la contaminación así como al análisis de riesgos que permita la toma de decisiones ante la posible recuperación de tales terrenos. / Among the industries that mar be considered potential contaminators of the soil is that dedicated to obtaining zinc, which, during its time, has generated substantial quantities ofheavy metal-containing wastes which, until recently, were simply dumped in the irnmediate environs. Following the Spanish law RD 9/2005, the resulting contamination and any associated risks have to be evaluated. The object ofthis thesis was to study the natural and forced mobilization oflead, cadmium and arsenic in a variety of environmental conditions in wastes resulting from the zinc hydrometallurgy indus1ry and in soils contaminated by fue alteration products of these wastes, together with fue relation between such mobilization and fue chemical and mineralogical characteristics of the same. Knowledge of these material s and of the metal mobilization conditions studied will help in the methodological study of contamination evaluation and in the analysis of risks. The findings will, it is hoped, help in the making decisions that need to be taken to recover the affected soils.

Scanning electron microscopy based automated mineralogy (SEM-AM) is a combined analytical tool initially designed for the characterisation of ores and mineral processing products. Measurements begin with the collection of backscattered electron (BSE) images and their handling with image analysis software routines. Subsequently, energy dispersive X-ray spectra (EDS) are gained at selected points according to the BSE image adjustments. Classification of the sample EDS spectra against a list of approved reference EDS spectra completes the measurement. Different classification algorithms and four principal SEM-AM measurement routines for point counting modal analysis, particle analysis, sparse phase search and EDS spectral mapping are offered by the relevant software providers. Application of SEM-AM requires a high-quality preparation of samples. Suitable non-evaporating and electron-beam stable epoxy resin mixtures and polishing of relief-free surfaces in particles and materials with very different hardness are the main challenges. As demonstrated by case examples in this contribution, the EDS spectral mapping methods appear to have the most promising potential for novel applications in metamorphic, igneous and sedimentary petrology, ore fingerprinting, ash particle analysis, characterisation of slags, forensic sciences, archaeometry and investigations of stoneware and ceramics. SEM-AM allows the quantification of the sizes, geometries and liberation of particles with different chemical compositions within a bulk sample and without previous phase separations. In addition, a virtual filtering of bulk particle samples by application of numerous filter criteria is possible. For a complete mineral phase identification, X-ray diffraction data should accompany the EDS chemical analysis. Many of the materials which potentially could be characterised by SEM-AM consist of amorphous and glassy phases. In such cases, the generic labelling of reference EDS spectra and their subsequent target component grouping allow SEM-AM for interesting and novel studies on many kinds of solid and particulate matter which are not feasible by other analytical methods.

Im Umfeld von Delitzsch befinden sich unter der etwa 100 m mächtigen Bedeckung aus tertiären Lockersedimenten mehrere magmatische Körper aus Karbonat. Im Jahr 2012 wurde durch die Deutsche Rohstoff AG bei Storkwitz eine 700 m tiefe Explorationsbohrung auf Seltene Erden Elemente abgeteuft. Im Rahmen eines Forschungsprojektes wurde der Frage nachgegangen, wie und woher die Seltenen Erden in das Gestein hineingelangten. Die Ergebnisse können Hinweise auf möglicherweise bisher unbekannte Anreicherungen von Seltenen Erden in anderen Nebengesteinen als den Karbonatiten geben. Die Veröffentlichung liegt nur in englischer Sprache vor. / The Storkwitz-Carbonatite is a Late Cretaceous intrusive complex, which is well-explored by a relatively large number of exploration bore holes both from the 1970ies, 1980ies and from one more recent bore hole, SES-1/2012. The carbonatite complex hosts a (currently) marginally economic mineralisation of rare earth elements (REE) and niobium, which is technically still difficult to recover. The upper part of the carbonatitic body is located some 100-120 m below the Pre-Cenozoic land surface, which in turn is overlain by approximately 100 m of glacial, fluvio-glacial, and fluviatile sediments. The aim of this study was to characterize the mineralisation in the upper part of the intrusion geochemically and mineralogically and to try to identify indications of a supergene overprint on the late magmatic to hydrothermal mineralisation. Fresh drill core samples from the exploration bore hole SES-1/2012 have revealed that the mineralisation is associated with a carbonatitic igneous breccia body and also with several alvikite veins. The breccia body is very heterogeneous, displays a variety of matrix colours and also a range of matrix-to-clast ratios.

Geological formations containing sulphates are commonly associated with the development of severe expansions when they are involved in tunnel excavation. The intensity of the observed expansive behaviour in these materials is greater than in other expansive soils and rocks free of sulphates. Swelling in sulphated formations can also occur in the rock mass although no tunnel is excavated, and also within fills made of compacted material from excavations in sulphated rocks. The functionality and stability of engineering works are affected in the majority of the cases. The prediction of strains and swelling pressures in sulphated formations is a difficult task. On that direction, the Thesis analyses and describes the mechanisms and conditions leading to expansions in sulphated rocks through the detailed investigation of three exceptional cases of damage induced by expansions involving sulphated formations in Spain. Lilla tunnel, the first case-history analysed, was excavated in Tertiary anhydritic claystone. Expansions developed led to severe tunnel floor heaving and to very high pressures against tunnel lining. The second case, a bridge founded on piles within an anhydritic claystone, Pont de Candí bridge, experienced an unexpected and sustained heave of the central pillars as a consequence of the development of swelling strains below the deep pile foundations. The third case, the compacted access embankments to another bridge, Pallaressos embankments, experienced a very significant volumetric expansion. As a result, the bridge was axially compressed and damaged. Mechanisms leading to swelling in tunnels in sulphated rocks have been described in the literature; however, an alternative interpretation is proposed. In the first two cases the development of swelling phenomena is explained by the precipitation of gypsum crystals in rock discontinuities. The presence of anhydrite plays a central role in the phenomenon because its dissolution leads to supersaturation conditions of groundwater in calcium sulphate with respect to gypsum, which will result into gypsum precipitation. The process of precipitation of gypsum in discontinuities is thought to act as local jacks inducing swelling strains. The maximum pressure exerted by crystal growth has been estimated under a thermodynamical point of view. Expansions in the third case analysed are a result of massive growth of ettringite and thaumasite minerals in embankments reinforced by Portland cement due to sulphate attack to cementitious materials. Mineralogical analysis and the simulation of the chemical reactions involved in sulphate attack have shown that expansions in this type of embankments would proceed for a long time because of the availability of the necessary components for ettringite and thaumasite formation. A finite element model of embankment swelling developed has shown that great loads can be generated due to swelling against rigid structures restraining the expansion in some direction. A coupled Hydro Mechanical and Chemical model formulated in a porous media has been developed to simulate volumetric expansions explained by gypsum precipitation. The model is consistent with field and laboratory observations and describes the kinetics of precipitation and dissolution of gypsum and anhydrite, the solute transport and the development of strains induced by crystallization. The model has been applied to interpret and simulate the heave experienced by Pont de Candí viaduct. Modelling capabilities were checked against the long term history of viaduct heave and also, against the foundation response when the vertical load from a surface embankment was added to counteract swelling. / Las formaciones geológicas que contienen sulfatos están asociadas tradicionalmente al desarrollo de expansiones severas cuando son atravesadas por túneles. La intensidad del comportamiento expansivo observado en estos materiales es mayor que en otras rocas y suelos expansivos libres de sulfatos. El hinchamiento asociado a formaciones sulfatadas también puede ocurrir en el macizo rocoso aunque no se excave un túnel, y también en rellenos construidos con material compactado procedente de excavaciones en rocas sulfatadas. En la mayoría de casos la funcionalidad y estabilidad de las obras de ingeniería se ven afectadas. La predicción de deformaciones y presiones de hinchamiento en formaciones sulfatadas es una tarea difícil. En este sentido, la Tesis analiza y describe los mecanismos y las condiciones que conducen a expansiones en rocas sulfatadas, a través de la investigación detallada de tres casos excepcionales de daño debido a expansiones que involucran formaciones sulfatadas en España. El túnel de Lilla, el primer caso analizado, se excavó en arcillita anhidrítica. El desarrollo de expansiones condujo a un levantamiento severo de la solera y a presiones contra el revestimiento muy altas. El segundo caso, un puente cimentado en pilotes en una arcillita anhidrítica, el viaducto de Pont de Candí, experimentó un levantamiento inesperado de los pilares centrales debido al desarrollo de hinchamientos por debajo de las cimentaciones profundas. En el tercer caso, los terraplenes de acceso a otro puente, los terraplenes de Pallaressos, experimentaron una expansión volumétrica muy significativa y el puente resultó comprimido axialmente y dañado. Los mecanismos que conducen al hinchamiento en túneles en rocas sulfatadas se han descrito en la literatura; sin embargo, se propone una interpretación alternativa. La precipitación de cristales de yeso en discontinuidades de la roca explica el desarrollo de fenómenos de expansión en los dos primeros casos. La presencia de anhidrita juega un papel central en el fenómeno expansivo porque su disolución conduce a condiciones de sobresaturación del agua del macizo en sulfato cálcico respecto el yeso, que resulta en la precipitación de yeso. Se cree que el proceso de precipitación de yeso en discontinuidades actúa como gatos locales generando deformaciones. La presión máxima ejercida por crecimiento de cristales se ha estimado desde un punto de vista termodinámico. Las expansiones en el tercer caso son el resultado del crecimiento masivo de los minerales de etringita y thaumasita en terraplenes estabilizados con cemento Portland debido al ataque sulfático a los materiales cementantes. Ensayos mineralógicos y la simulación de las reacciones químicas involucradas en el ataque sulfático han mostrado que las expansiones en este tipo de terraplenes continuarían durante un periodo de tiempo largo, debido a la disponibilidad de los componentes necesarios para la formación de etringita y thaumasita. Un modelo de elementos finitos del hinchamiento del terraplén ha mostrado que estas expansiones pueden generar presiones muy altas contra estructuras rígidas. Se ha desarrollado un modelo acoplado Hidro-Mecánico y Químico formulado en medio poroso para simular expansiones volumétricas explicadas por la precipitación de yeso. El modelo es consistente con observaciones de campo y laboratorio y describe la cinética de la precipitación y disolución, el transporte de soluto y el desarrollo de deformaciones inducidas por cristalización. El modelo se ha aplicado para interpretar y simular el levantamiento experimentado por el viaducto. La capacidad de modelación se ha verificado frente a las medidas de levantamiento del viaducto en el tiempo y también, frente a la respuesta de las cimentaciones a la construcción de un terraplén en superficie para contrarrestar el hinchamiento

The optically stimulated luminescence (OSL) characteristics of a suite of quartz and feldspar samples from a range of modern glaciofluvial sediments have been explored to determine the use of OSL as a depositional pathway tracer. Paraglacial and subglacial source material and various glaciofluvial deposits have been analysed from the glacial catchments of Bergsetbreen, Fåbergstølsbreen, and Nigardsbreen as well as the Fåbergstølsgrandane sandur, Jostedalen, Norway. The OSL distribution signatures have been characterised through exploration of sample skewness, kurtosis and overdispersion, and dose distributions of the different depositional settings and source materials are distinct for both quartz and feldspar. Residual ages are greatest for feldspar, indicating significant potential age overestimation where feldspar is used to date glaciofluvial deposits. Sample dose distributions and overdispersion characteristics are driven by source sediment properties, whereas residual ages are controlled by transport and depositional processes. Those transport and depositional processes which result in significant light exposure, also influence dose distributions, and processes that sort sediments least effectively have the highest residual doses. Sample OSL characteristics, transport distance and grain size distributions have been investigated using factor analysis, as a means of predicting sediment source, facies, depositional process and deposit type. Although the depositional processes of the quartz samples can be clearly differentiated based upon OSL characteristics, factor analyses of feldspar and grain size characteristics are inconclusive. The application of quartz OSL to the Norwegian samples was limited by its very poor luminescence sensitivity. Quartz is the preferred mineral for OSL, however, despite the plethora of successful quartz OSL applications, the precise origin of the UV/blue luminescence emission, measured during OSL, remains unclear. The origins of this emission and controls on its intensity were explored using a variety of spectroscopic techniques including photoluminescence, cathodoluminescence, radioluminescence (RL), ionoluminescence (IL) and x-ray excited optical luminescence (XEOL). Exciting sample luminescence at a range of energies enables exploration of the different donor centres responsible for the luminescence emission. Cathodoluminescence and RL emission spectra are similar, comprising broad emissions at 1.5, 2.0 and 2.7 eV (detection in the UV part of the spectrum was not possible for these experiments). Ionoluminescence emission spectra were dominated by the ~ 3.3 eV emission, which is a component of the signal conventionally monitored during OSL. This emission depleted as a function of dose, to the benefit of the red emission (1.8-2.0 eV) for all samples throughout IL, and similar observations were made for the 3.4 eV emission observed from the XEOL emission spectra. The XEOL spectra are dominated by an emission at ~ 3.8 eV, not widely reported for quartz, which has tentatively been attributed to peroxy linkages. Differences between the IL and XEOL emission spectra are interpreted as evidence for the presence of multiple excited states.

El estudio tectosedimentario, mineralógico, micropaleontológico y trabajo de campo (cartografía geológica, 1:18.000 y 17 columnas estratigráficas),de la cuenca neógena de Lorca (Murcia, España), ha permitido diferenciar sus cinco unidades tectosedimentarias (UTS), divididas en 12 formaciones marinas y continentales del Burdigaliense-Plioceno. La ausencia de dos UTS en el norte de la cuenca corrobora la existencia de una falla en el centro de la cuenca que fue clave en la evolución y el depósito disimétrico. El modelo tectónico de la cuenca de Lorca correspon¬de a un modelo híbrido entre pull-apart y graben. La distribución de espacio-temporal de los minerales, la morfología, asociaciones minerales y relaciones mutuas, han permitido conocer las áreas fuentes así como los procesos de transporte en cada UTS. Se concluye afirmando que el uso conjunto el análisis tectosedimen¬tario y mineralógi¬co permite un conocimiento más completo de la evolución e historia geológica de una cuenca sedimentaria. / The complementary use of the mineralogical and tectosedimentary analysis of the tertiary Lorca basin (Murcia, Spain) we can characterize its tectosedimentary units (TSU) and the depositional sequences, establishing a tectonic-sedimentation model for this area. The Lorca basin has been defined as a hybrid between the pull-apart and graben models, with twelve formations, grouped in five TSU dated from the Burdigalian-Pliocene. The absence of two TSU at the north of the basin supported the existence of a fracture in the middle of the basin that has conditioned their space-temporal evolution and depositional disymetry. The analysis mineralogical: space-temporal distribution, morphology, mineral associations and mutual relationships, have allowed knowing the possible source areas as well as the processes of transport in each TSU. There are clear mineralogical differences among the five TSU established, which allows to affirming that this methodology contributes to a major knowled ge of the evolution processes of a sedimentary basin.

This thesis is largely a study of the ADOR process (assembly-disassembly-organisation-reassembly) when applied to zeolite UTL. The final chapter of this thesis deals with the adsorption of the medical gases NO and CO onto the metal organic framework NiNaSIP. Chapter 4 is devoted to the disassembly and organisation steps of the ADOR process. Calcined UTL was hydrolysed using 0.1 – 12 M HCl solutions from 75 – 95 °C run over 10 mins to 72 hrs. A three step mechanism is proposed, which is comprised of an initial rapid hydrolysis that removes the majority of the interlayer constituents of UTL, causing the silica-rich layers to largely collapse. This is followed by a slow, temperature and molarity dependent, deintercalation process that sees the remainder of the interlayer material removed resulting in the full collapse of the layers to form IPC-1P. The third step is a temperature and molarity dependent rebuilding process, whereby the interlayer region is slowly rebuilt, eventually forming a precursor which upon calcination becomes IPC-2 (OKO). Chapter 5 uses the pair distribution function (PDF) technique to structurally confirm the intermediate of the ADORable zeolite UTL. The intermediate, IPC-1P, is a disordered layered compound formed by the hydrolysis of UTL in 0.1 M HCl. Its structure is unsolvable by traditional X-ray diffraction techniques. The PDF technique was first benchmarked against high-quality synchrotron Rietveld refinements of IPC-2 (OKO) and IPC-4 (PCR) – two end products of IPC-1P condensation that share very similar structural features. An IPC-1P starting model derived from density functional theory was used for the PDF refinement, which yielded a final fit of Rw = 18% and a geometrically reasonable structure. This confirms that the layers do stay intact throughout the ADOR process, and shows that PDF is a viable technique for layered zeolite structure determination. Chapter 6 examines the reassembly stage by following the in-situ calcination of a variety of hydrolysed intermediates into their three-dimensional counterparts. Beamline I11 at Diamond Light Source provided high-quality PXRD patterns as a function of temperature, which were refined against using sequential Pawley refinements to track the unit cell changes. 0.1, 1.75, 2.5 and 12 M hydrolysed lamellar precursor phases were calcined. The largest unit cell changes were observed for 0.1 M, and the smallest for 12 M. This shows that increasing the molarity must prebuild most of the interlayer connections, such that upon calcination, only minimal condensation occurs to fully connect the layers. Chapter 7 probes the uptake of the medical gases CO and NO into the metal organic framework NiNaSIP. An in-situ single-crystal XRD study was undertaken using an environmental gas cell at beamline 11.3.1 at the Advanced Light Source. NiNaSIP was first dehydrated to reveal an open nickel site, which acted as the main site of adsorption for the inputted gases. NO was observed in a bent geometry at an occupancy of 40 % and a Ni – N bond length of 2.166(16) Å. The oxygen was modelled to be disordered over two sites. CO was not fully observed, as only the carbon was able to be modelled with an occupancy of 31.2 % and a Ni – C bond length of 2.27(3) Å.

Der hierarchisch strukturierte und hoch geordnete Aufbau von Calciumphosphat und Kollagen in Knochen und Zähnen wird von den Zellen mit Hilfe bestimmter Moleküle erreicht. Diese organischen Moleküle, zumeist Proteine, beeinflussen durch die räumliche Anordnung ihrer Ladung das Präzipitations- und Wachstumsverhalten der mineralischen Phase. Die in dieser Arbeit beschriebenen Computersimulationen zeigen, dass ein Calciumphosphatkomplex mit deprotoniertem Phosphat am stabilsten ist. Vermutlich nimmt die Bindungsenergie pro Oberfläche des Komplexes mit wachsender Größe bis zu einem Ca9(PO4)6 -Komplex (Posner Klaster) linear zu. Die Präzipitation von Calciumphosphat aus wässriger Lösung führt häufig zu amorphen Kugeln mit 50-500 nm Durchmesser, die sphärische Unterstrukturen von ca. 5 nm Durchmesser zeigen und bei großer Dichte zu einer amorphen Schicht verschmelzen. Geringe Unterschiede in der Präparation können aber schon zu stäbchenförmigen oder plättchenartigen Kristalliten führen. Phosphoserin ist eine der wichtigsten Aminosäuren bei der Anbindung von Proteinen an Calciumphosphat. Das Computermodell zeigt an der gesamten Oberfläche dieser Aminosäure ein deutliches elektrisches Potential, dies begünstigt die Wechselwirkung mit Ionen. FT-IR- und NMR-Untersuchungen zeigen, dass Phosphoserin bei Kopräzipitation mit Calciumphosphat höchstwahrscheinlich in die mineralische Phase eingebaut wird. Serin zeigt bei der Kopräzipitation ab 1 mM einen Einfluss auf die Morphologie von Calciumphosphat, während Phosphoserin schon bei 0,01 mM einen deutlichen Einfluss zeigt. Elektronenspray-Ionisations-Massenspektroskopie (ESI-MS) bestätigt die relativ zum Serin intensivere Wechselwirkung von Phosphoserin mit Calciumphosphat. Das wichtigste Protein zur Vermeidung ektopischer Mineralisierung ist Fetuin. Dieses Protein stabilisiert die transient auftretenden amorphen Calciumphosphatkugeln (ACP-Kugeln) und erlaubt so dem Körper deren Entsorgung. Fetuin verhindert das Verschmelzen von ACP-Kugeln, wenn diese in großer Dichte auftreten, wobei deren feine Unterstruktur erhalten bleibt. Trotz des starken inhibitorischen Verhaltens wird das Auflösen von Brushit durch die Anwesenheit von Fetuin praktisch nicht beschleunigt. Auch auf die Kinetik der Assemblierung von Kollagen zeigt Fetuin praktisch keinen Einfluss. Des Weiteren wurde das Nukleationsverhalten des häufigsten, nichtkollagenen Knochenproteins, dem Osteocalcin (OC), mittels ESI-MS beobachtet. Die Untersuchungen von Osteocalcin in Calciumphosphatlösung zeigten Komplexe mit bis zu 8 Ca2+, der größte identifizierbare Komplex bestand aus [OC Ca2 (PO4 )2 Na4 ]+. Um die Mineralisierung von Kollagen genauer zu untersuchen, wurden assemblierte Kollagenfibrillen in der Flüssigzelle eines Atomkraftmikroskops (AFM) mit Calciumphosphat nachmineralisiert. Hierbei wurde eine gleichmäßige Anlagerung der offenbar amorphen mineralischen Phase beobachtet. Die Inkubation der Fibrillen mit Phospholipidvesikeln führte zu einem Aufweichen der Fibrillen. Des Weiteren wurden Phospholipidvesikel hergestellt, um den Calciumphosphatniederschlag in einem räumlich stark begrenzten Abschnitt zu untersuchen. Die Vesikel wurden mit REM und AFM abgebildet und so verschiedene Präparationsmethoden verglichen. Es konnten plättchenförmige Kristallite an der Vesikelmembran gezüchtet werden, während bei Anwesenheit von Phosphoserin globuläre Objekte auftraten. Eine Arbeitshypothese wurde entwickelt, die das unterschiedliche Wachstumsverhalten von Calciumphosphat in wässriger Lösung mit einer positiv geladenen Hydrathülle um den Calciumphosphatkeim erklärt. Die Protonen stammen vom deprotonierten Phosphat des Mineralkeims und können sich auf Grund der adsorbierten Wassermoleküle nicht sofort in der Lösung verteilen. Diese Hülle aus H3O+ verhindert das beliebige Anlagern von Ionen an den Mineralkeim und lenkt so dessen Morphologie.:1 Einführung 1.1 Biomineralisation 1.2 Calciumphosphat 1.3 Phosphoserin 1.4 Kollagen 1.5 Osteocalcin 1.6 Fetuin 1.7 Matrixvesikel 1.8 Fragestellung der Dissertation 2 Material und Methoden 2.1 Computermodellierung 2.2 Chemikalien und Lösungen 2.3 FT-IR-Messungen 2.4 UV/Vis-Messungen 2.5 Massenspektroskopische Experimente 2.6 REM 2.7 TEM 2.8 AFM 2.9 NMR 2.10 XRD 3 Ergebnisse und Interpretation 3.1 Calciumphosphat 3.2 Phosphoserin 3.3 Fetuin 3.4 Osteocalcin 3.5 Kollagen 3.6 Künstliche Vesikel 4 Abschließende Zusammenfassung Anhang Erläuterungen zu den Ergebnissen Glossar Abbildungsverzeichnis Tabellenverzeichnis Literaturverzeichnis Erklärung, Danke Publikationen Lebenslauf Index

Dans le contexte actuel, les communautés scientifiques et politiques sont centrées sur les différentes manières de mieux préserver et utiliser les ressources naturelles de notre planète. Dans le but de réduire la consommation des matières issues du pétrole, et de développer de nouveaux produits et procédés industriels plus propres, l’industrie des fragrances et des arômes cherche aujourd’hui à développer de nouveaux matériaux bio-sourcés pour protéger leurs molécules volatiles odorantes. Dans ce travail de thèse, les maltodextrines ont été choisies comme composé majoritaire, les protéines de pois et un amidon modifié ont été sélectionnés comme additifs compatibilisants pour la composition des matrices d’agromatériaux. L’incorporation des molécules volatiles odorantes, ainsi que l’élaboration des matrices encapsulantes ont été réalisées en une seule étape, grâce à la technologie d’extrusion bi-vis à basse température. Les caractéristiques physicochimiques, thermiques et morphologiques de ces nouvelles matrices enrobantes ont été analysées, de même que la détermination de leur efficacité d’encapsulation et du profil de libération du principe actif. Les différentes investigations menées ont permis de mieux comprendre l’impact des formulations et de l’incorporation des molécules volatiles odorantes sur les paramètres opératoires. Les interactions entre la matrice enrobante et le principe actif ont également été étudiées. Les conditions d’extrusion établies, ainsi que les caractéristiques de ces nouvelles matrices encapsulantes, s’avèrent être pertinentes pour le domaine de la parfumerie. / Nowadays, scientific and political communities are focused on ways to better preserve and manage the natural resources of our planet. In order to reduce consumption of fossil resources, and to develop more environmentally friendly industrial processes, the industry of flavors and fragrances became interested in developing new bio-based encapsulating materials. In the present work, maltodextrins have been chosen as main component of the matrix, and pea protein isolate and a modified starch were selected as compatibilizing additives. The incorporation of volatile odorant compounds and the elaboration of the new bio-based delivery systems were performed, all in one single step, by low temperature twin-screw extrusion. The physicochemical, thermal and morphological properties of these matrices were studied, as well as the encapsulation efficiency and the release profile of the active compounds. These investigations have led to a better understanding of the impact of the formulations and of the incorporation of the active compound on the process parameters. The interactions between the wall and the encapsulated materials were also analyzed. The characteristics of the new bio-based delivery systems and the established extrusion process conditions were found to be very promising to be employed in the field of perfumery.