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1
Sousa, Isabel Maria Nunes de. "Functional properties of lupin proteins". Thesis, University of Nottingham, 1993. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.385965.
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Gothard, Michelle Gina Elizabeth. "Functional properties of gellan gum". Thesis, Cranfield University, 1994. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.426116.
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Bao, Jianhai. "Further properties on functional SDEs". Thesis, Swansea University, 2013. https://cronfa.swan.ac.uk/Record/cronfa42334.
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In this work, we aim to study some fine properties for functional stochastic differential equation. The results consist of five main parts. In the second chapter, by constructing successful couplings, the derivative formula, gradient estimates and Harnack inequalities are established for the semigroup associated with a class of degenerate functional stochastic differential equations. In the third chapter, by using Malliavin calculus, explicit derivative formulae are established for a class of semi-linear functional stochastic partial differential equations with additive or multiplicative noise. As applications, gradient estimates and Harnack inequalities are derived for the semigroup of the associated segment process. In the fourth chapter, we apply the weak convergence approach to establish a large deviation principle for a class of neutral functional stochastic differential equations with jumps. In particular, we discuss the large deviation principle for neutral stochastic differential delay equations which allow the coefficients to be highly nonlinear with respect to the delay argument. In the fifth chapter, we discuss the convergence of Euler-Maruyama scheme for a class of neutral stochastic partial differential equations driven by alpha-stable processes, where the numerical scheme is based on spatial discretization and time discretization. In the last chapter, we discuss (i) the existence and uniqueness of the stationary distribution of explicit Euler-Maruyama scheme both in time and in space for a class of stochastic partial differential equations whenever the stepsize is sufficiently small, and (ii) show that the stationary distribution of the Euler-Maruyama scheme converges weakly to the counterpart of the stochastic partial differential equation.
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Karlsson, Anders. "Structural and functional properties of transthyretin". Doctoral thesis, Umeå universitet, Umeå centrum för molekylär patogenes (UCMP) (Teknisk-naturvetenskaplig fakultet), 2008. http://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-1507.
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The hereditary transthyretin (TTR) amyloidoses are rare, and in severe cases, fatal disorders caused by mutations in the TTR gene. The clinical picture is diverse, involving neuropathies and myopathies, and mainly depends on the causative mutation and the sites and rates of amyloid deposition. The ultimate aim of the field of research presented in this thesis is to prevent TTR amyloid disease. To reach this ambitious goal, a thorough understanding of the normal as well as the pathological properties of the protein is essential. Here, comparisons between TTR from humans and other species may provide valuable information. The three-dimensional structure of TTR from Gilthead sea bream (Sparus aurata) was determined at 1.75 Å resolution by X-ray crystallography, and was found to be structurally similar to human TTR. However, significant differences were observed in the area at and around β-strand D, an area believed to dissociate from the structure prior to amyloid formation, thereby allowing the β-strands A and B to participate in polymerization. During evolution, the preference of TTR for the thyroid hormones, 3,5,3’-triiodo-L-thyronine (T3) and 3,5,3’,5’-tetraiodo-L-thyronine (T4), has shifted. While human TTR has higher affinity for T4, the opposite is true in lower vertebrates, e.g. fish and reptiles, where T3 is the main ligand. We have determined two separate structures of sea bream TTR in complex with T3 and T4, both at 1.9 Å resolution, as well as the complex of human TTR with T3. A significantly wider entrance and narrower thyroid hormone binding channel suggest a structural explanation to the differences in thyroid hormone preference between human and piscine TTR. The Tyr114Cys substitution in TTR is associated with severe systemic amyloidosis. The mutation introduces a second cysteinyl group in the TTR monomer, and has been shown to inhibit the formation of fibril formation in vitro, promoting the formation of disulfide-bonded amorphous aggregates. To deduce the role of intermolecular disulfide bonds in fibril formation we characterized the TTR Cys10Ala/Tyr114Cys double mutant. Our results suggest that an intermolecular disulfide bond at position 114 enhances the exposure of Cys10, which promotes the formation of additional intermolecular disulfide-linked assemblies. Also, we were able to isolate a disulfide-linked dimeric form of this mutant that formed protofibrils in vitro, suggesting the architecture of TTR amyloid may be the result of different underlying structures rather than that of a highly stringent assembly. We have also been able to successfully adapt a method of protein pre-heating to enable crystallization, thereby succeeding in a particularly problematic protein crystallization experiment. By heating the protein solution, we succeeded in separating several forms of protein micro-heterogeneities from the properly folded protein species, thereby allowing the growth of well diffracting crystals.Ärftlig transthyretinamyloidos är en ovanlig och i allvarliga fall dödlig proteininlagringssjukdom som orsakas av mutationer i genen för transthyretin. Den kliniska bilden är huvudsakligen beroende av den bakomliggande genförändringen samt amyloidlokaliseringen och -depositionshastigheten och omfattar vanligen neuropatier och myopatier av varierande grad. Det slutgiltiga målet med forskningsfältet som presenteras i denna avhandling är att förhindra eller bota transthyretinamyloidos. En förutsättning för att lyckas med detta ambitiösa mål är en ingående förståelse för proteinets grundläggande egenskaper, såväl i normalfallet som i de patologiska processerna, bland annat genom jämförande studier av humant och icke-humant transthyretin (TTR). Den tredimensionella röntgenkristallografiska strukturen av TTR från fisken guldsparid (Sparus aurata) bestämdes till en upplösning på 1,75Å och befanns vara strukturellt snarlik humant TTR. Signifikanta skillnader observerades emellertid i och kring β-sträng D, en region som tros dissociera från huvudstrukturen innan själva bildningen av amyloid. Enligt denna hypotes leder D-strängsdissociationen till exponering av β-strängarna A och B, vilka därmed kan delta i de reaktioner som bildar amyloid. Under evolutionen har bindningspreferenserna för thyroideahormonerna T3 (3,5,3’-trijod-L-thyronin) och T4 (3,5,3’,5’-tetrajod-L-thyronin) hos TTR ändrats. Humant TTR har högre affinitet för T4 än för T3, medan det motsatta förhållandet gäller för lägre vertebrater, t ex fisk, där T3 är den huvudsakliga liganden. Strukturerna bestämdes för guldsparid i komplex med T4 och med T3 till 1,9 Å upplösning, samt för humant TTR i komplex med T3 till 1,7 Å upplösning. Jämförande analyser visade på signifikanta skillnader i thyroideahormonbindningskanalen, vilken var vidare och grundare i fisk än i människa. Dessa strukturella skillnader kan delvis förklara olikheterna i hormonbindning mellan högre och lägre vertebrater. Substitutionen Tyr114Cys i TTR är kopplad till en allvarlig form av systemisk transthyretinamyloidos. Mutationen introducerar en andra cysteinylgrupp i TTR-monomererna, vilket förhindrar fibrillbildning in vitro, men gynnar bildningen av amorfa disulfidbundna aggregat. För att närmare studera betydelsen av disulfidbindningar vid fibrillbildning av detta protein så karakteriserades dubbelmutanten TTR Cys10Ala/Tyr114Cys. Baserat på våra resultat föreslår vi att intermolekylära disulfidbindningar i position 114 ökar exponeringen av Cys10, vilket förstärker tendensen att bilda ytterligare disulfidbundna aggregat. Vi isolerade även en disulfidbunden dimerisk form av dubbelmutanten som kan bilda protofibriller in vitro. Baserat på denna observation föreslår vi att transthyretinamyloids underliggande arkitektur är sammansatt och kan nås genom sammanfogning av olika substrukturer snarare än genom en strikt ordnad uppbyggnad. Vi har också modifierat och anpassat en metod för uppvärmning av proteiner för att möjliggöra kristallisation i ett synnerligen problematiskt proteinkristallisations-experiment. Genom uppvärmning av proteinlösningen lyckades vi separera olika former av mikroheterogeniteter från det rättveckade proteinet, som sedan bildade kristaller av god röntgendiffraktiv kvalitet.
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Wikberg, Magnus. "Fundamental Properties of Functional Magnetic Materials". Doctoral thesis, Uppsala universitet, Teknisk-naturvetenskapliga fakulteten, 2010. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-133257.
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Magnetic properties of powders, thin films and single crystals have been investigated using magnetometry methods. This thesis provides analysis and conclusions that are supported by the results obtained from spectroscopic and diffraction measurements as well as from theoretical calculations. First, the magnetic behavior of transition metal (TM) doped ZnO with respect to doping, growth conditions and post annealing has been studied. Our findings indicate that the magnetic behavior stems from small clusters or precipitates of the dopant, with ferromagnetic or antiferromagnetic interactions. At the lowest dopant concentrations, the estimated cluster sizes are too small for high resolution imaging. Still, the clusters may be sufficiently large to generate a finite spontaneous magnetization even at room temperature and could easily be misinterpreted as an intrinsic ferromagnetic state of the TM:ZnO compound. Second, influence of lattice strain on both magnetic moment and anisotropy has been investigated for epitaxial MnAs thin films grown on GaAs substrates. The obtained magnetic moments and anisotropy values are higher than for bulk MnAs. The enhanced values are caused by highly strained local areas that have a stronger dependence on the in-plane axis strain than out-of plane axis strain. Finally, spin glass behavior in Li-layered oxides, used for battery applications, and a double perovskite material has been investigated. For both Li(NiCoMn)O2 and (Sr,La)MnWO6, a mixed-valence of one of the transition metal ions creates competing ferromagnetic and antiferromagnetic interactions resulting in a low temperature three-dimensional (3D) spin glass state. Additionally, Li(NiCoMn)O2 with large cationic mixing exhibits a percolating ferrimagnetic spin order in the high temperature region and coexists with a two-dimensional (2D) frustrated spin state in the mid temperature region. This is one of the rare observations where a dimensional crossover from 2D to 3D spin frustration appears in a reentrant material.Felaktigt tryckt som Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology 720
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Watson, Mark Adrian. "Density-functional theory and molecular properties". Thesis, University of Cambridge, 2004. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.615929.
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Monteiro, Andreia Sofia de Sousa. "Bacterial cellulose membrane with functional properties /". Araraquara, 2019. http://hdl.handle.net/11449/191269.
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Orientador: Sidney José Lima RibeiroResumo: Este trabalho descreve o desenvolvimento de membranas de cellulose bacterianas (BCM), econômicas e ecologicamente amigáveis com propriedades funcionais. Nanopartículas de sílica esféricas com tamanho de partícula de cerca de 51 ± 4 nm, obtidas pelo método sol-gel e nanopartículas de sílica com tamanho de partículas heterogêneo, extraídas da casca de arroz, foram preparadas e funcionalizadas pelas metodologias in situ e post-grafting, respectivamente, com alcoxisilanos com propriedades easy-cleaning e curcuma. Nanocompósito de anatase SiO2@TiO2 preparado pelo método sol-gel, também foi desenvolvido. Posteriormente, estes nanomateriais funcionais e os organosilanos 1,4 – bis(trietoxissilil)benzeno (BTEB), Bis(trietoxisililpropil)disulfeto (BTPD) and 1,2-Bis(trietoxissilil)etano (BTSE), foram imobilizados com sucesso na BCM, segundo as metodologias in situ e post-grafting. Na BCM funcionalizada com os organosilanos BTEB, BTPD e BTSE, nanopartículas de sílica esféricas com estrutura porosa e distribuição de tamanho de partícula heterogêneo, foram formados nas fibras de celulose. A repelência da BCM funcionalizado com nanopartículas de sílica contendo propriedades de limpeza facilmente melhorada notavelmente. BCM apresenta fobicidade à água, tolueno, cicloexano e solução de suor artificial. Especificamente, a BCM funcionalizada com a amostra SiO2@F13TES segundo as metodologias in situ e post-grafting, apresentam uma superfície quase superhidrofóbica (> 150°). As medições de decomp... (Resumo completo, clicar acesso eletrônico abaixo)
Abstract: This work reports the development of economic and environmentally friendly Bacterial Cellulose Membrane (BCM) with functional properties. The spherical mesoporous silica nanoparticles with average particle size around 51 ± 4 nm, obtained by sol-gel method and spherical silica nanoparticles with heterogeneous particles size distribution (20-40 nm) obtained through agro-industrial waste were prepared and functionalized by in situ and post-grafting methodology, respectively, with alkoxysilanes with easy-cleaning properties and natural dye obtained through natural extracts, namely curcuma. Anatase TiO2@SiO2 spherical nanocomposites prepared by the sol-gel method, have also been developed. Subsequently, these functional nanomaterials and the organosilanes 1,4 – bis(triethoxysilyl)benzene (BTEB), Bis(triethoxysilylpropyl)disulfide (BTPD) and 1,2-Bis(triethoxysilyl)ethane (BTSE), were successfully incorporated into BCM, by in situ and post-grafting methodologies. In the BCM functionalized with BTEB, BTPD and BTSE, spherical silica nanoparticles with porous structure and heterogeneous particle size, were formed on the cellulose fibers. The surface repellency of the functionalized BCM with silica nanoparticles containing easy-cleaning properties was remarkably enhanced. This BCM displaying phobicity to water, toluene, cyclohexane and artificial sweat. Specifically, the BCM functionalized by in situ and post-grafting with SiO2@F13TES, displayed a surface almost superhydrophobic (> 150°... (Complete abstract click electronic access below)
Doutor
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Correia, Paula Maria dos Reis. "Physicochemical, morphological, functional and structural characterisation of chestnut and acorn starch". Doctoral thesis, ISA/UTL, 2010. http://hdl.handle.net/10400.5/3707.
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Calvo, de la Rosa Jaume. "Mechanical and functional properties in magnetic materials". Doctoral thesis, Universitat de Barcelona, 2019. http://hdl.handle.net/10803/667865.
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This doctoral Thesis has been focused on the preparation of magnetic materials by different methods, the characterization of their structural characteristics, and the understanding of their mechanical and magnetic properties. Furthermore, a big effort has been paid to investigate the frequency-dependent functional properties of different materials, which are increasingly demanded in novel technological applications. Moreover, this work presents this characterization in a wide range of frequencies, from the kHz to the THz.
In the first chapter, the reader will find an introduction to the topic and the state of the art of those materials that have been synthesized and developed in this Thesis. Then, the general goals of our research are described.
Chapter II provides all the needed fundamental theory to accomplish with the previously stated goals. The concepts exposed here will be used later in the following chapters where the results will be shown and discussed. Moreover, this chapter does not only pretend to give the essential notions used in the following chapter, but we also aim to provide a useful guide to anyone who starts working on this field.
All the materials, devices, software, and experimental conditions used in this Thesis are described in Chapter III. Here, we describe these aspects in detail in order to allow an agile discussion in the following chapters.
The first experimental chapter is Chapter IV, where the synthesis of copper ferrite nanoparticles by mean of sol-gel and co-precipitation is described. The sol-gel process is optimized through of design of experiments (DoE) approach. The results of the mechanical and magnetic characterization of solid pellets fabricated with the previously synthesized nanoparticles are also shown in this chapter. Finally, by using statistical methods a direct experimental correlation between the mechanical and magnetic properties is found in this material.
Another material, a carbon nanotube–based nanocomposite, is studied in Chapter V. This novel material is first structurally characterized in order to understand its magnetic properties. A big effort is paid on the study of the magnetic relaxation of this material, which has not been previously reported as far as we know.
The investigation of soft magnetic materials (SMM) and composites (SMC) can be found in Chapter VI. The actual SMCs are first structurally and magnetically characterized. Their magnetic properties in the kHz and MHz frequency range are also investigated, showing the better performance of the SMC at high frequencies. In the second part of the chapter, the development on new SMC’s formulations is described. The developed materials are potentially useful for applications in the kHz and MHz frequency range.
The frequency is raised in Chapter VII. Terahertz time-domain spectroscopy (THz-TDS) is used to investigate the optical and dielectric properties of two different semiconductor oxides from 180 GHz to 3 THz. The signal processing and the interpretation of the effect that different characteristics of the sample may have on the observed properties are discussed. In this chapter, magnetic materials are not investigated because the Fresnel
model – which is the base of this technique - assumes a non-magnetic response of the material.
The work described in Chapter VIII is completely different from the previous ones. In this case, we investigate the manipulation of the magnetic moments by using surface acoustic waves (SAWs). The experiments done in this chapter lead to interesting observation about the potentiality of the use of SAWs to accelerate the magnetic moment reversal in magnetic nanoparticles.Esta Tesis Doctoral se centra en el estudio de materiales magnéticos en su conjunto, tanto desde la síntesis hasta sus propiedades mecánicas y funcionales finales. Además, ha habido un especial interés en el estudio de las propiedades funcionales en un amplio rango frecuencial. De este modo, en el primer capítulo, el lector puede encontrar una introducción al campo de investigación, así como también el estado del arte de aquellos materiales que se han sintetizado y desarrollado en esta Tesis. Por otro lado, en el Capítulo II se aportan todos los conceptos teóricos necesarios para el siguiente desarrollo de la Tesis. Además, los materiales, dispositivos, software y condiciones experimentales utilizados durante el desarrollo de esta investigación están descritos en el Capítulo III. El Capítulo IV es la primera parte experimental de la Tesis, y en la que se describe la síntesis de nanopartículas de ferrita de cobre vía sol-gel y coprecipitación. Además, se estudian las propiedades magnéticas y mecánicas en bulk, y se analiza su correlación empírica. El Capítulo V está dedicado al estudio de un nuevo material: un nanocompuesto magnético basado en nanotubos de carbono. Inicialmente se caracteriza química y estructuralmente para después centrarse en las propiedades magnéticas. Se realiza, además, un detallado estudio de su relajación magnética. Por otro lado, en el Capítulo VI, se investigan materiales magnéticos blandos. Inicialmente se analizan los materiales actualmente utilizados, mientras que en una segunda parte se desarrollan nuevas formulaciones con interesantes propiedades tecnológicas. En el Capítulo VII se presenta el estudio de las propiedades ópticas y dieléctricas en el rango de los THz. Se describe detalladamente el método, análisis de señal, y efecto de las características físicas de la muestra sobre la medida. Finalmente, también se propone un método para cuantificar el efecto de la porosidad de las muestras. Por último, el Capítulo VIII se investiga la manipulación del momento magnético mediante estímulos mecánicos como las ondas acústicas superficiales (SAW, en inglés). Se observa una clara variación experimental con la aplicación de las SAWs, y se relaciona matemáticamente esta variación con la frecuencia y potencia de las SAWs.
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Yildiz, Sibel. "Production Of Sweetening Syrups With Functional Properties". Phd thesis, METU, 2006. http://etd.lib.metu.edu.tr/upload/12607908/index.pdf.
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Extraction of fructo-oligosaccharide syrups from grated jerusalem artichoke (JA) tubers was studied by water at 20-60°C by determining the yield, degree of polymerization (DP), product profile (DP of up to 6) and prebiotic effect using Lactobacillus plantarum on samples harvested between October and April, stored for 0-20 days. The optimum solvent to solid ratio was 4, the duration of shaking water bath extraction was 40 min and yield based on JA were 12-17%. Temperature was found to improve yield and functionality, and citric acid, at 26 mM, improved the color and darkness by 70 and 80%, respectively. Short-time (1 min) microwaving prior to extraction increased the yield by about 20%, decreased the amount of sugars with DP 1 and 2 and increased the amounts of oligosaccharides (OS) with DP 3-6, although the prebiotic effect increased only slightly
while the color and darkness of the syrup were tripled. Ultrasound-assisted-extraction (USE) gave best performance at 3 min duration
decreased the amounts of sugars with DP 1-2, increased the amounts of OS with DP 3-6, with 18% decrease in the yield. The better functionality of USE syrups were also indicated by 2.5 times higher growth rate of L.plantarum. The application of USE at 60°
C compared to 20°
C almost tripled the amounts of functional sugars. In order to obtain the largest proportion of monosaccharide units as functional sugars, 10 day storage at 4°
C after harvest was indicated. Ultrasonication did not affect the color but the darkness was doubled. The density and viscosity of all the syrups were practically the same.
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Hirano, Shin-ichi, Toshinobu Yogo, Wataru Sakamoto, Ko-ichi Kikuta, Kazumi Kato, Yoshikuni Takeichi, Yasushi Araki et al. "Chemical processing and properties of functional ceramics". IEEE, 1999. http://hdl.handle.net/2237/6125.
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Kunz, Tamara Katherine. "Optical and electronic properties of functional polythiophenes". Thesis, University of British Columbia, 2009. http://hdl.handle.net/2429/17459.
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The synthesis and characterization of a series of functionalized head-to-tail
regioregular poly-3-alkylthiophenes are reported. The influences of the structure and
functional groups on the optical and electronic properties are investigated with NMR,
absorption, emission and infrared spectroscopy, gel permeation chromatography, and
cyclic voltammetry.
A regioregular poly-3-alkylthiophene (Poly-1) was synthesized via Grignard
Metathesis polymerization conditions. Poly-1 contains bromide groups as sites of latent
reactivity along the polymer backbone through which additional reactions were carried
out post-polymerization. The bromide was converted to an azide group (Poly-2) which
was further functionalized via Click chemistry with a variety of functional groups.
Click chemistry was carried out using the Huisgen 1,3-dipolar cycloaddition
reaction. Post-polymerization functionalization of Poly-2 provided a facile method for
preparing a variety of related functional polymers, each with identical average chain
length, average polydispersity and average distribution of monomers. Preparation of
Poly-3a, -3b, and -3c, demonstrated the utility of the Click reaction for modifications
with a variety of functional groups.
A series of poly-3-alkylthiophene analogs (Poly-1 - Poly-11) were characterized
by absorption and emission spectroscopies and the spectra were found to be dependant on
regioregularity along the polymer backbone. The UV-vis absorption maxima, varied with
the percentage of head-to-tail couplings in relation to the extent of conjugation.
The series of dithienylethene functionalized oligo- (71) and polymer analogs
(Poly-4, Poly-7 and Poly-11) displayed fluorescence quenching capabilities upon
photoinduced ring closing of the dithienylethene moiety via energy transfer. The extent
of quenching was determined to be dependent on both the length and structure of the
backbone. Extended conjugation contributed to amplified fluorescence quenching as
observed by complete fluorescence quenching of Poly-4.
The functionalization of the Poly-2 with the stable free nitroxide radical 2,2,6,6-
tetramethylpiperdine-1-oxyl is described. The resulting polymer, Poly-12, was
characterized with cyclic voltammetry and IR spectroscopy. Electrochemical deposition
of thin films of Poly-12 onto various working electrodes is described. The thin films were
investigated for potential charge storage via galvanostatic charge/discharge cycles. IR
spectroscopy revealed that the nitroxide radical had sensitized the polythiophene
backbone to oxidation, resulting in irreversible damage to the polymer and reduced
charge storage capacity.
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Li, Ling Ph D. Massachusetts Institute of Technology. "Biomineralized structural materials with functional optical properties". Thesis, Massachusetts Institute of Technology, 2014. http://hdl.handle.net/1721.1/89955.
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Thesis: Ph. D., Massachusetts Institute of Technology, Department of Materials Science and Engineering, 2014.Cataloged from PDF version of thesis.
Includes bibliographical references (pages 129-143).
Many biological structural materials exhibit "mechanical property amplification" through their intricate hierarchical composite designs. In the past several decades, significant progress has been achieved in elucidating the structure/mechanical property relationships of these materials. However, the design strategies of structural biomaterials with additional functional roles are still largely unexplored. This thesis, by selecting three unique mollusk shell model systems, explores the fundamental design strategies of multifunctional biomineralized materials with dual mechanical and optical functions: transparency, photonic coloration, and lens-mediated vision. The model systems are the bivalve Placuna placenta, the limpet Patella pellucida, and the chiton Acanthopleura granulata, respectively. By investigating the relationships between the mechanical and optical properties and the structural characteristics, this thesis uncovers novel design strategies used to integrate optical functions into mechanically-robust material systems. The high transmission property of the P. placenta shells (~99 wt% calcite), for example, is elucidated through experimental and theoretical analysis based on a light scattering model. This armor utilizes deformation twinning and additional mechanisms at the nanoscale to enhance the energy dissipation efficiency by almost an order of magnitude relative to abiotic calcite. 3D quantitative analysis of the damage zone resulting from high load indentations was performed via synchrotron X-ray micro-computed tomography, revealing the formation of a complex network of microcracks. A unique structural motif, screw dislocation-like connection centers, is identified to enable a high density of crack deflection and bridging. This thesis also leads to the discovery of a unique biomineralized photonic structure in the shell of the blue-rayed limpet P. pellucida. The photonic system consists of a calcite multilayer and underlying particles, which provide selective light reflection through constructive interference and contrast enhancement through light absorption, respectively. Lastly, this thesis presents a detailed investigation of the biomineralized lenses embedded in the armor plates of the chiton A. granulata. The image formation capability of these lenses is experimentally demonstrated for the first time. The optical performance of the eyes is studied via comprehensive ray-trace simulations that take into account the experimentally measured geometry and crystallography of the lens. Mechanical studies illustrate that trade-offs between protection and sensation are present in the plates.
by Ling Li.
Ph. D.
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Al-Bakkush, Al-Amari Ali. "Improvement of functional properties of soy protein". Thesis, Heriot-Watt University, 2008. http://hdl.handle.net/10399/2233.
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The objective of this thesis was to study the effect of heat treatment and glycation on five industrially important functional properties of soy protein, namely solubility, emulsifying ability, water holding ability, acid gelation ability in soy yogurts and the heat stability of soy protein emulsions. These objectives were achieved completing three tasks: 1) The physicochemical properties were studied of Soycomil K, a commercially available, insoluble soy protein concentrate. Differential scanning calorimetry (DSC) analysis showed that it was 28% denatured compared to native, laboratory SPC. Further analysis showed that the aggregated structure is more hydrophobic and there are more disulfide bonds than found in commercially available soy protein isolates (SPI). Heat treatment at alkaline pH and low protein concentration increased its solubility. Heat treatment at 100 °C increased SoyComil’s solubility significantly compared to heat treatment at 70 °C. Glycation of SoyComil K with glucose at 70 °C increased solubility compared to the control, whereas glycation at 100 °C decreased solubility. Heat treatment of Soycomil increased its solubility more than glycation. 2) A soy yogurt with smooth texture and high water holding capacity (WHC) was developed with SPI heated in the presence of pectin and glucose, followed by homogenization with the oil ingredient of the yogurt recipe. The texture matched that of commercially available yoghurt manufactured with soymilk. A yogurt made with SPI only showed low WHC. These results provide evidence that combined heat treatment and glycation of SPI improved its functional properties. A study of the structure of the yogurt showed that the majority of bonds were hydrophobic bonds, whilst electrostatic and disulfide bonds played a small part in maintaining the yogurt structure. 3) A study of the rate of aggregation of SPI stabilized emulsions at pH4.5 showed that the heat stability of SPI emulsions was strongly dependent on protein concentration and temperature. A second study showed that the presence of polysaccharides either improved or had little effect on heat stability depending on the concentration of polysaccharide added. This was attributed to interactions between soy proteins and specific polysaccharides. A study of the heat stability of mixed whey protein concentrate (WPC) and SPI emulsions showed that WPC dominated the oil droplet destabilization behaviour, and that low proportions of WPC were able to slow down the heat-induced breakdown of SPI/WPCemulsions containing a high proportion of SPI.
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Ahmad, Najat Hassan. "Functional properties of enzymically hydrolysed fish waste". Thesis, Loughborough University, 1990. https://dspace.lboro.ac.uk/2134/32465.
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Enzymic hydrolysis of cod fish waste was investigated using two enzymes (trypsin and bromelain). A fish protein hydrolysate (FPH) powder and frozen flake hydrolysate were produced using a spray drier and an ice flake machine. Functional properties of the FPH were assessed with respect to the molecular weight (MW) spectrum. The characteristics of solubility and emulsification for the hydrolysate showed it to be suitable for use as a binder compared with egg albumin (EA) and soy bean isolate (ISB) for fish products. Fishburgers with improved texture, succulence and reasonable cooking losses were made successfully from cod fish mince incorporating a vegetable oil/water emulsion stabilised by FPH. Taste panels were carried out and overall acceptability of the fishburgers made from the FPH emulsion was better than fishburgers containing EA and ISB emulsions. Economic evaluation and specification of a pilot plant were done for both FPH powder and frozen flake hydrolysate production. This work strongly emphasises that FPH should only be used in fish products which need a good binder and where the flavour/taint problems of use in other products, e.g. beverages, pasta, will not arise.
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Hill, Sandra E. "Processing and functional properties of bovine plasma". Thesis, Loughborough University, 1986. https://dspace.lboro.ac.uk/2134/32514.
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A powdered product that was light in colour and had no off flavour or odour was made by the separation, ultrafiltration and spray drying of bovine blood. To establish the variability of the production methods samples were taken at stages during processing. A one year stability trial on one batch of powder was also done. Samples were analysed to indicate their physical characteristics, approximate composition and microbiological content. Model systems were established and used to assess the functional properties of the powder. Ten bovine plasma powders were produced with little indication of variation between batches. The powder was stable.
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BELLAVITA, CARLO. "FUNCTIONAL PROPERTIES OF P-DE BRANGES SPACES". Doctoral thesis, Università degli Studi di Milano, 2022. http://hdl.handle.net/2434/924712.
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This Ph.D. final dissertation studies some analytical properties of the p-de Branges spaces, Hp(E), made up of entire functions and extensively studied in the last thirty years.
Besides the first two chapters, where I recall the main properties of the p-de Branges spaces, the rest of the thesis gathers my research work: in the second part, Boundedness of operators, I look for some necessary and sufficient conditions for the boundedness of the translation operators in H2(E) and subsequently for the continuity of the embedding operator ιp,q from Hp(E) into Hq(E).
In the third part, Duality results, I characterize the dual of some 1-de Branges spaces. Firstly, I describe the dual of the 1-Bernstein spaces and then I extend the reasonings to some others 1-de Branges spaces.
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Kocevski, Vancho. "Theory and Modelling of Functional Materials". Doctoral thesis, Uppsala universitet, Materialteori, 2015. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-248513.
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The diverse field of material research has been steadily expanding with a great help from computational physics, especially in the investigation of the fundamental properties of materials. This has driven the computational physics to become one of the main branches of physics, allowing for density functional theory (DFT) to develop as one of the cornerstones of material research. Nowdays, DFT is the method of choice in a great variety of studies, from fundamental properties, to materials modelling and searching for new materials. In this thesis, DFT is employed for the study of a small part of this vast pool of applications. Specifically, the microscopic characteristics of Zn1-xCdxS alloys are studied by looking into the evolution of the local structure. In addition, the way to model the growth of graphene on Fe(110) surface is discussed. The structural stability of silicon nanocrystals with various shapes is analysed in detail, as well. DFT is further used in studying different properties of semiconductor nanocrystals. The size evolution of the character of the band gap in silicon nanocrystals is investigated in terms of changes in the character of the states around the band gap. The influence of various surface impurities on the band gap, as well as on the electronic and optical properties of silicon nanocrystals is further studied. In addition, the future use of silicon nanocrystals in photovoltaic devices is examined by studying the band alignment and the charge densities of silicon nanocrystals embedded in a silicon carbide matrix. Furthermore, the electronic and optical properties of different semiconductor nanocrystals is also investigated. In the case of the CdSe/CdS and CdS/ZnS core-shell nanocrystals the influence of the nanocrystal size and different structural models on their properties is analysed. For silicon nanocrystal capped with organic ligands, the changes in the optical properties and lifetimes is thoroughly examined with changes in the type of organic ligand.
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Alba, Katerina. "Isolation, characterization and functional properties of okra pectin". Thesis, University of Huddersfield, 2015. http://eprints.hud.ac.uk/id/eprint/26440/.
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Pectin was isolated by aqueous extraction at pH 6.0 or 2.0 from okra (Abelmoschus esculentus L.) pods. An isolation protocol was designed to extract pectin and study the influence of the extraction pH on its chemical composition, macromolecular and functional properties. The extraction protocols resulted in the isolation of pectin of high purity as evidenced by their high total carbohydrate (70.0 – 82%) and low protein (4.3 – 6.3%) contents. Samples contained between 47-57% galacturonic acid, had broad molecular weight distributions, a low degree of methylation (40 and 25 %) and high degree of acetylation (52 and 38 %). Neutral sugar analysis showed that pectin extracted at pH 6.0 contained more neutral sugars, particularly, galactose, rhamnose and arabinose than that extracted at pH 2.0 indicating variations in fine structure. In addition, molecular parameters of the isolated pectins, such as intrinsic viscosity (2.8 – 4.4 dL g-1), critical concentration (0.15 – 0.45 dL g-1) and coil overlap parameter (0.66 –1.51), showed that extraction conditions resulted in pectin with different chain macromolecular characteristics. Following extraction, the functional properties of okra pectin were investigated in high and low moisture systems and also in colloidal dispersions. It has been shown that okra polysaccharides are non-gelling pectins and their inability to form ordered structures was attributed to the high degree of acetylation and branching of the side-chains. The pH sensitivity of okra pectins has been further demonstrated in high solid systems, where the mechanical relaxation of LM-pectin in the presence of co-solute has been altered by pH. It has been shown that high pH values result in extended chain conformation and early vitrification events. In contrast, viscoelastic functions of polyelectrolyte decreased and resulted in delayed vitrification events at low pH. The next step of present work was focused on potential utilization of okra polysaccharides in fabrication of oil-in-water emulsions for food and pharmaceutical applications. The emulsifying properties of crude okra extracts and okra isolates (rich in pectin) have been investigated under different conditions (e.g., oil volume fraction, biopolymer concentration, pH values, energy input methods) in order to produce fine emulsions with long-term stability. It has been shown that pH of extraction has a pronounced effect on the interfacial activity of both crude extract and pectin isolates. Extracts or isolates obtained at high pH demonstrated higher emulsifying capacity than those extracted at low pH. In general, okra pectin isolates were more efficient in emulsion stabilisation than crude extracts by producing emulsions of smaller droplet sizes. Moreover, emulsifying capacity of okra pectin was affected by the pH and stable emulsions were produced only at low pH values (pH 2.0 or 3.0). It has been shown that okra pectin-stabilized emulsions evolve under the effects of Ostwald ripening and coalescence during the long-term storage. The present work shows the potential of okra pectins as emulsifiers under acidic conditions and serves as the basis for the development of such systems in encapsulation technology of bioactive components.
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Kong, Xiangli y 孔祥礼. "Molecular structure and functional properties of amaranthus starch". Thesis, The University of Hong Kong (Pokfulam, Hong Kong), 2009. http://hub.hku.hk/bib/B43224210.
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Guzman-Juarez, M. "Yeast protein products : Preparation, characterisation and functional properties". Thesis, University of Reading, 1986. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.376661.
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Khatkar, Bhupendar Singh. "Functional and dynamic rheological properties of wheat gluten". Thesis, University of Reading, 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.319243.
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Sazanavets, Ivan. "Exploring functional properties of proteins with computational methods". Thesis, University of Manchester, 2015. https://www.research.manchester.ac.uk/portal/en/theses/exploring-functional-properties-of-proteins-with-computational-methods(41496d9e-551f-4e6c-bff0-f234ee8db4de).html.
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Proteins play a major role in many biological processes. Understanding their functional properties is key in order to develop an ability to manipulate their properties for beneficial use. Recent advances in high throughput technology has led to the vast quantities of biological data becoming available. This in turn has to the development of sophisticated computational tools to analyse and process this data of high volume and complexity. The computational tools have been used both in a complimentary manner to the wet lab based experiments and as independent research utilities. Most of the work within this thesis focuses on using computational methods to expand the limits of our knowledge of functional and structural properties of different families of proteins. First part of the thesis deals with classifying proteins that are dependent on NAD and NADP for their function. A correlation between the conformation of the cofactor within the active site and the protein function was discovered. Second part of the thesis focuses on studying pH dependence in acid sensing ion channels using comparative modelling and continuum electrostatics based computational methods. The key pH sensing residues were identified within a complex mechanism of channel operation. The variation in pH dependent properties of different ASIC family members and other related ion channels was discovered to be related to the number of acid sensors present. In the last part of the thesis, computational methods are used to assess the likelihood of presence of the radical character in the catalytic mechanism of flavin utilising enzymes.
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Wang, Yaxian. "Functional Properties in Novel 2D and Layered Materials". The Ohio State University, 2019. http://rave.ohiolink.edu/etdc/view?acc_num=osu1574850743485852.
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Lops, Filomena Angela. "Generalized concentration properties and the Mumford-Shah functional". Cachan, Ecole normale supérieure, 2006. http://www.theses.fr/2006DENS0031.
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Esteky, Hossein. "Functional Properties and Organization of Primary Somatosensory Cortex". Thesis, University of North Texas, 1993. https://digital.library.unt.edu/ark:/67531/metadc278197/.
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The physiological characteristics and organization of cat primary somatosensory cortex (SI) were studied in electrophysiological and anatomical experiments. In single cell recording experiments, quantitatively controlled mechanical stimuli were used to examine the responses of SI cortical neurons to the velocity component of skin or hair displacement. The firing frequency of most rapidly adapting neurons increased as stimulus velocity was increased. Rapidly adapting neurons were classified based on their response patterns to constant-velocity ramp stimuli. Neurons in these classes differed significantly in sensitivity to stimulus velocity and amplitude, adaptation rate, and spontaneous firing rate. The results suggest that frequency coding of stimulus displacement velocity could be performed by individual SI rapidly adapting neurons, and that the classes of rapidly adapting neurons may play different roles in sensation of tactile stimuli. Tract-tracing experiments were used to investigate the ipsilateral corticocortical connections of areas 3b and 2 in SI. Different patterns of connections were found for these areas: area 2 projects to areas 3b, 1, 3a, 5a, 4 and second somatosensory cortex (SII), and area 3b projects to areas 2, 1, 3a and SII. To further compare the organization of these areas, the thalamic input to the forepaw representation within each area was studied. The forepaw region in area 3b receives thalamic input exclusively from ventroposteriopr lateral nucleus (VPL), while area 2 receives input from VPL, medial division of the posterior complex (PoM), and lateral posterior nucleus (LP). These results suggest that area 2 lies at a higher position in the hierarchy of somatosensory information flow.
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Kong, Xiangli. "Molecular structure and functional properties of amaranthus starch". Click to view the E-thesis via HKUTO, 2009. http://sunzi.lib.hku.hk/hkuto/record/B43224210.
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Kishiyama, Mark Masao. "The functional and neuroanatomical properties of novelty processing /". For electronic version search Digital dissertations database. Restricted to UC campuses. Access is free to UC campus dissertations, 2004. http://uclibs.org/PID/11984.
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Randall, Richard Christopher. "Molecular characterisation and functional properties of gum arabic". Thesis, University of Salford, 1992. http://usir.salford.ac.uk/43001/.
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Semi-PreParative gel permeation chromatography (gpc) was used to isolate several molecular mass components of gum arabic. The u. v. (218 nm) gpc elution profile showed the presence of several prominent peaks; however, only one major peak (FAw 3.8 x 10-9 g moll) and a minor peak (FAw 1.45 x 106 g mol-1) were observed in the differential refractive index (R. I. ) gpc elution profile. The Rl. molecular mass distribution profile was also shown to be representative of the true mass distribution of the gum. Gram quantities of three apparently "pure" components of gum arabic were prepared using hydrophobic interaction chromatography. These components corresponded to the three major peaks observed in the u. v. gpc elution profile. Extensive physico-chemical analysis revealed that gum arabic consists of:- a: a major protein deficient arabinogalactan representing 900/6o f the total gum mass: b: a high molecular mass, protein rich (100A protein) component, designated as an arabinogalactan-protein complex which accounts for 9% of the total gum: c: one or more protein enriched (50% protein) glycoprotein components accounting for only 1% of the total gum. Furthermore. the result of enzyme treatment indicates a possible structural correlation between the arabinogalactan and the arabinogalactan-protein complex. This evidence also substantiates the so called 'Wattle Blossom" model which Is representative of the macrostructure of the high molecular mass arabinogalactan-protein complex. The Newtonian rheological behaviour of aqueous gum Arabic solutions (up to 400/6 w/w) complements other experimental evidence, which strongly suggests that the gum's macromolecular structure is very compact for a polysaccharide. The unique emulsification properties of the gum were monitored by the development of standardised turbidimetric techniques. It was subsequently shown that enzyme and heat treatment of the gum had a similar effect of substantially reducing the emulsifying efficiency of the gum. Both gum treatments effectively "denature" the proteinaceous components of the gum and by consideration of other experimental evidence (adsorption characteristics of the components at the o/w interface) it was demonstrated that the high molecular mass arabinogalactan-protein complex is solely responsible for the gum' s emulsifying property.
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Maruatona, Gaamangwe Nehemiah. "Physico-chemical, nutritional and functional properties of defatted marama bean flour". Diss., Pretoria : [s.n.], 2009. http://upetd.up.ac.za/thesis/available/etd-06112009-142412/.
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Walsh, Helen. "Functional properties of whey protein and its application in nanocomposite materials and functional foods". ScholarWorks @ UVM, 2014. http://scholarworks.uvm.edu/graddis/496.
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Whey is a byproduct of cheese making; whey proteins are globular proteins which can be modified and polymerized to add functional benefits, these benefits can be both nutritional and structural in foods. Modified proteins can be used in non-foods, being of particular interest in polymer films and coatings. Food packaging materials, including plastics, can linings, interior coatings of paper containers, and beverage cap sealing materials, are generally made of synthetic petroleum based compounds. These synthetic materials may pose a potential human health risk due to presence of certain chemicals such as Bisphenol A (BPA). They also add to environmental pollution, being difficult to degrade. Protein-based materials do not have the same issues as synthetics and so can be used as alternatives in many packaging types. As proteins are generally hydrophilic they must be modified structurally and their performance enhanced by the addition of waterproofing agents. Polymerization of whey proteins results in a network, adding both strength and flexibility. The most interesting of the food-safe waterproofing agents are the (large aspect ratio) nanoclays. Nanoclays are relatively inexpensive, widely available and have low environmental impact. The clay surface can be modified to make it organophilic and so compatible with organic polymers. The objective of this study is the use of polymerized whey protein (PWP), with reinforcing nanoclays, to produce flexible surface coatings which limit the transfer of contents while maintaining food safety. Four smectite and kaolin type clays, one treated and three natural were assessed for strengthening qualities and the potential waterproofing and plasticizing benefits of other additives were also analyzed. The nutritional benefits of whey proteins can also be used to enhance the protein content of various foodstuffs. Drinkable yogurt is a popular beverage in the US and other countries and is considered a functional food, especially when produced with probiotic bacteria. Carbonation was applied to a drinkable yogurt to enhance its benefits. This process helps reduce the oxygen levels in the foodstuff thus potentially being advantageous to the microaerophilic probiotic bacteria while simultaneously producing a product, somewhat similar to kefir, which has the potential to fill a niche in the functional foods market. Yogurt was combined with a syrup to reduce its viscosity, making it drinkable, and also to allow infusion of CO2. This dilution reduced the protein content of the drink and so whey protein concentrate was added to increase levels in the final product. High-methoxyl pectins were used to provide stability by reducing the tendency of the proteins to sediment out. The objectives of this study were to develop a manufacturing technology for drinkable carbonated symbiotic yogurts, and to evaluate their physicochemical properties. Two flavors of yogurt drink, pomegranate and vanilla, were formulated containing inulin as prebiotic, along with probiotic bacteria, producing symbiotic dairy beverages.
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Kemal, Lydia Materials Science & Engineering Faculty of Science UNSW. "Gold and silver nanoparticles: synthesis, characterization and functional properties". Publisher:University of New South Wales. Materials Science & Engineering, 2008. http://handle.unsw.edu.au/1959.4/43108.
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This thesis focuses on the shape-controlled metal nanoparticles for functional applications, covering the synthesis, characterization and optical properties. Three parts are mainly involved in this work, including, gold worm-like nanoparticles, silver nanoplates, and silver induced selenium nanowires. The first part focuses on a facile synthesis method for shape control of gold nanoparticles by treating an aqueous solution of chloroauric acid with sodium citrate and poly(vinyl pyrrolidone) (PVP), in which those worm-like nanoparticles were investigated by various advanced experimental characterizations combining density function theory (DFT) calculation. These nanoparticles can be used for optical sensing detection of ions in aqueous system. The second part involves the synthesis, growth, and optical properties of silver nanoplates (triangles and circular discs). Such nanoplates could be synthesized by a self-seeding co-reduction method at ambient conditions. In particular, molecular dynamics simulation is used to quantify the interaction energies between surfactant molecules and different facets of silver crystal. Such molecular information, together with measurements using x-ray diffraction (XRD), transmission electron microscopy (TEM), atomic force microscopy (AFM) and ultraviolet??visible (UV??vis) spectroscopy, has proven to be useful for understanding the growth mechanisms of silver nanoplates. The third part focuses on the template of silver nanoparticles for generating trigonal selenium (t-Se) nanowires. This technique exhibits some advantages in fabricating t-Se nanostructures, including no need to use stabilizers and sonichemical process and all operations being proceeded in aqueous media and at room temperature. Particularly it can successfully achieve the transformation from amorphous α-Se to crystalline t-Se in aqueous solution and this method would be useful for generating one-dimensional nanostructures with similar lattice parameter(s). It is considered that the technique for the shape-controlled metal nanoparticles can at least partially, be extended to other nanomaterials for functional applications.
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Hoeft, Alexandra. "Properties and Legacies of Tsirelson Space". VCU Scholars Compass, 2013. http://scholarscompass.vcu.edu/etd/553.
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Tsirelson space is a reflexive, separable Banach space constructed by Boris Tsirelson to be the first example of a Banach space that does not contain an isomorphic copy of the sequence spaces c_0 or l_p for 1\leqslant p
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Saadatmand, Mehrdad. "Preservation of Extra-Functional Properties in Embedded Systems Development". Doctoral thesis, Mälardalens högskola, Inbyggda system, 2015. http://urn.kb.se/resolve?urn=urn:nbn:se:mdh:diva-27300.
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The interaction of embedded systems with their environments and their resource limitations make it important to take into account properties such as timing, security, and resource consumption in designing such systems. These so-called Extra-Functional Properties (EFPs) capture and describe the quality and characteristics of a system, and they need to be taken into account from early phases of development and throughout the system's lifecycle. An important challenge in this context is to ensure that the EFPs that are defined at early design phases are actually preserved throughout detailed design phases as well as during the execution of the system on its platform. In this thesis, we provide solutions to help with the preservation of EFPs; targeting both system design phases and system execution on the platform. Starting from requirements, which form the constraints of EFPs, we propose an approach for modeling Non-Functional Requirements (NFRs) and evaluating different design alternatives with respect to the satisfaction of the NFRs. Considering the relationship and trade-off among EFPs, an approach for balancing timing versus security properties is introduced. Our approach enables balancing in two ways: in a static way resulting in a fixed set of components in the design model that are analyzed and thus verified to be balanced with respect to the timing and security properties, and also in a dynamic way during the execution of the system through runtime adaptation. Considering the role of the platform in preservation of EFPs and mitigating possible violations of them, an approach is suggested to enrich the platform with necessary mechanisms to enable monitoring and enforcement of timing properties. In the thesis, we also identify and demonstrate the issues related to accuracy in monitoring EFPs, how accuracy can affect the decisions that are made based on the collected information, and propose a technique to tackle this problem. As another contribution, we also show how runtime monitoring information collected about EFPs can be used to fine-tune design models until a desired set of EFPs are achieved. We have also developed a testing framework which enables automatic generation of test cases in order verify the actual behavior of a system against its desired behavior. On a high level, the contributions of the thesis are thus twofold: proposing methods and techniques to 1) improve maintenance of EFPs within their correct range of values during system design, 2) identify and mitigate possible violations of EFPs at runtime.CHESS
MBAT
ITS-EASY
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Luisier, Samuel. "Screening the structural and functional properties of Bicyclo-DNA /". [S.l.] : [s.n.], 2008. http://opac.nebis.ch/cgi-bin/showAbstract.pl?sys=000286558.
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Tian, Shengjun. "Thin functional conducting polymer films preparation, properties and applications /". [S.l. : s.n.], 2005. http://deposit.ddb.de/cgi-bin/dokserv?idn=975929003.
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Kalea, Anastasia Z. "The Effect of Dietary Manganese on Arterial Functional Properties". Fogler Library, University of Maine, 2005. http://www.library.umaine.edu/theses/pdf/KaleaAZ2005.pdf.
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Chilkova, Olga. "Functional and structural properties of eukaryotic DNA polymerase epsilon". Doctoral thesis, Umeå : Department of Medical Biochemistry and Biophsyics, Umeå University, 2006. http://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-837.
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Gu, Ziyan. "Local magnetic susceptometry : visualizing functional properties of novel materials /". Stockholm, 2005. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-265.
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Chaves, Jose Mauro. "Structural and functional properties of human [alpha]A-crystallin". Thesis, Birmingham, Ala. : University of Alabama at Birmingham, 2008. https://www.mhsl.uab.edu/dt/2008d/chaves.pdf.
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Ramzan, Muhammad. "Structural, Electronic and Mechanical Properties of Advanced Functional Materials". Doctoral thesis, Uppsala universitet, Materialteori, 2013. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-205243.
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The search for alternate and renewable energy resources as well as the efficient use of energy and development of such systems that can help to save the energy consumption is needed because of exponential growth in world population, limited conventional fossil fuel resources, and to meet the increasing demand of clean and environment friendly substitutes. Hydrogen being the simplest, most abundant and clean energy carrier has the potential to fulfill some of these requirements provided the development of efficient, safe and durable systems for its production, storage and usage. Chemical hydrides, complex hydrides and nanomaterials, where the hydrogen is either chemically bonded to the metal ions or physiosorbed, are the possible means to overcome the difficulties associated with the storage and usage of hydrogen at favorable conditions. We have studied the structural and electronic properties of some of the chemical hydrides, complex hydrides and functionalized nanostructures to understand the kinetics and thermodynamics of these materials. Another active field relating to energy storage is rechargeable batteries. We have studied the detailed crystal and electronic structures of Li and Mg based cathode materials and calculated the average intercalation voltage of the corresponding batteries. We found that transition metal doped MgH2 nanocluster is a material to use efficiently not only in batteries but also in fuel-cell technologies. MAX phases can be used to develop the systems to save the energy consumption. We have chosen one compound from each of all known types of MAX phases and analyzed the structural, electronic, and mechanical properties using the hybrid functional. We suggest that the proper treatment of correlation effects is important for the correct description of Cr2AlC and Cr2GeC by the good choice of Hubbard 'U' in DFT+U method. Hydrogen is fascinating to physicists due to predicted possibility of metallization and high temperature superconductivity. On the basis of our ab initio molecular dynamics studies, we propose that the recent claim of conductive hydrogen by experiments might be explained by the diffusion of hydrogen at relevant pressure and temperature. In this thesis we also present the studies of phase change memory materials, oxides and amorphization of oxide materials, spintronics and sulfide materials.
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Mckeen, Emma Selina. "Pharmacological properties of functional somatostatin receptors in rat colon". Thesis, University of Cambridge, 1995. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.264162.
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Kiss, Gabor. "Stability properties of functional differential equations with distributed delays". Thesis, University of Bristol, 2010. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.529872.
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Raikos, Vassilios. "Characterisation of the functional properties of heated egg proteins". Thesis, Heriot-Watt University, 2006. http://hdl.handle.net/10399/135.
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Bernabe, Gustau Catalan. "An investigation of functional properties in perovskite thin films". Thesis, Queen's University Belfast, 2000. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.343097.
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Burnham, Paul Michael. "Synthesis and properties of some novel phthalocyanine functional dyes". Thesis, University of East Anglia, 2002. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.268574.
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Schöne, Cornelia. "Functional and anatomical properties of brain hypocretin/orexin circuits". Thesis, University of Cambridge, 2015. https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.708659.
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Tian, Liyun. "Density Functional Study of Elastic Properties of Metallic Alloys". Licentiate thesis, KTH, Tillämpad materialfysik, 2015. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-179336.
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Special quasi-random structure (SQS) and coherent potential approximation (CPA) are techniques widely employed in the first-principles calculations of random alloys. The aim of the thesis is to study these approaches by focusing on the local lattice distortion (LLD) and the crystal symmetry effects. We compare the elastic parameters obtained from SQS and CPA calculations. For the CPA and SQS calculations, we employ the Exact Muffin-Tin Orbitals (EMTO) method and the pseudopotential method as implemented in the Vienna Ab initio Simulation Package (VASP), respectively. We compare the predicted trends of the VASP-SQS and EMTO-CPA parameters against composition. As a first case study, we investigate the elastic parameters of face centered cubic (fcc) Ti1−xAlx(0≤x≤100at.%) random solid solutions as a function of Al content (x). The EMTO-CPA and VASP-SQS results are in good agreement with each other. Comparing the lattice constants from SQS calculations with and without local lattice relaxations, we find that in Ti-rich (Al-rich) side the lattice constants remain almost unchanged (slightly increase) upon atomic relaxations. Taking local lattice distortions into consideration decreases the C11 and C44 elastic parameters, but their trends are not significantly affected. The C12 elastic constant, on the other hand, is almost unchanged when atomic relaxations are included. In general, the uncertainties in the elastic parameters associated with the symmetry lowering in supercell studies turn out to be superior to the differences between the two alloy techniques including the effect of LLD. We also investigate the elastic properties of random fcc Cu1−xAux(0≤x≤100 at.%) alloys as a function of Au content employing the CPA and SQS approaches. It is found that the CPA and SQS values forC11andC12 are consistent with each other no matter whether the atomic relaxations are taken into account or not. On the other hand, the EMTO-CPA values for C44 are slightly larger than those from SQS calculations especially for Cu-rich alloys which we ascribe to the differences in the DFT solvers rather than the differences between CPA and SQS. The Perdew-Burke-Ernzerhof (PBE) approximation to the exchange-correlation term in density functional theory (DFT) is a mature approach and have been adopted routinely to investigate the properties of metallic alloys. In most of the cases, PBE provides theoretical results in good agreement with experiments. However, the ordered Cu-Au system turned out to be a special case where large deviations between the PBE predictions and observations occur. In this work, we make use of a recently developed exchange-correlation functional, the so-called quasi-non-uniform exchange-correlation approximation (QNA), to calculate the lattice constants and formation energies for ordered Cu-Au alloys as a function of composition. The calculations are performed using the EMTO method. We find that the QNA functional leads to excellent agreement betweent heory and experiment. The PBE strongly overestimates the lattice constants for ordered Cu3Au, CuAu, CuAu3 compounds and also for the pure metals which is nicely corrected by the QNA approach. The errors in the formation energies of Cu3Au, CuAu, CuAu3relative to the experimental data decrease from 38-45% obtained with PBE to 5-9% calculated for QNA.QC 20151216
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Shpilevaya, Inga. "Surface characterisation and functional properties of modified diamond electrodes". Thesis, University of Oxford, 2014. http://ora.ox.ac.uk/objects/uuid:55c8243f-3779-4bcc-878a-999a067cc9c4.
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In this work, the use of modified diamond as an electrode material with superlative physical and electrochemical properties was investigated in a number of electrochemical applications. The surface chemistry of three differing forms of diamond, namely boron-doped microcrystalline diamond, boron-doped diamond powder and detonation nanodiamond powder was modified utilising such strategies as hydrogen plasma treatment, reactive ion plasma etching along with various chemical treatments. The surface and functional properties of the modified diamond electrodes were studied using a wide spectrum of techniques. The electrochemical activity of these materials was concomitantly investigated in order to expand the knowledge of diamond electrochemistry and to establish an understanding of how the surface chemistry of these materials impacts their electrochemical performance. In the first study, the nanostructuring strategies of boron-doped diamond surface with platinum nanoparticles were developed. In particular, two types of diamond nanostructures were produced: one consisting of platinum particles located on the top of diamond nanorods, the other with platinum particles located in the bottom of diamond nanopits. For the first time, the experimental evidence proving the mechanism of the diamond nanostructuring process was reported. The electrochemical activity of these nanostructured diamond electrodes with regard to the electrochemical oxidation of glucose and methanol was investigated. In the second study, the relationship between the surface chemistry of three differing forms of diamond, including microcrystalline boron-doped diamond, boron-doped diamond powder as well as detonation nanodiamond powder, and the electrode fouling in the result of the adsorption processes in methyl viologen and anthraquinonedisulfonate solutions was investigated. The influence of two dissimilar surface terminations: hydrophobic H-terminated and hydrophilic O-terminated on the electrode performance was studied in detail. This work provides a useful insight on the likely reasons for the undesirable adsorption occurrence which may be experienced in many electroanalytical applications that utilise solid and powdered forms of diamond. The third project extends the discussion on the study of the diamond electrodes, modified with detonation nanodiamond and boron-doped diamond powders and investigates the electrochemical behaviour of these materials. In this work, charge transport within the diamond powder films, partition coefficients of different redox mediators along with heterogeneous electron transfer constants were identified. The chemical modification of these electrodes with platinum nanoparticles along with the mechanism of nucleation and growth of the latter were studied. The enhanced electrode performance with regard to methanol electrooxidation reaction was demonstrated. The fourth study investigates the preparation of nickel modified boron-doped diamond electrodes and ascertains the relationship between the surface chemistry of the modified diamond and the associated electrocatalytic performance of nickel nanoparticles in hydrogen peroxide and glucose electrooxidation. The fifth study reports on the development of a novel surface functionalization strategy, based on porphyrin and amide coupling chemistry, which allows the creation of hybrid biomimetic diamond interface that was used as the artificial β-alanine receptor.
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Nelson, Geoffrey Winston. "Surface characterization and functional properties of carbon-based materials". Thesis, University of Oxford, 2012. http://ora.ox.ac.uk/objects/uuid:f22b95ce-65f3-4d9e-ac3d-a88f6e142c1a.
Texto completoResumen
Carbon-based materials are poised to be an important class of 21st century materials, for bio-medical, bio-electronic, and bio-sensing applications. Diamond and polymers are two examples of carbon-based materials of high interest to the bio-materials community. Diamond, in its conductive form, can be used as an electrochemical bio-sensor, whilst its nanoparticle form is considered a non-inflammatory platform to deliver drugs or to grow neuronal cells. Polymers, especially when chemically modified, have been used extensively in biological environments, from anti-microbial use to drug delivery. The large-scale use of either material for biological use is limited by two factors: ease of chemical modification and the paucity of knowledge of their surface chemistry in aqueous media. This thesis addresses aspects of both these issues. The first study reported is an in situ study of the adsorption dynamics of an exemplar globular protein (bovine serum albumin, BSA) on nanodiamond using the relatively novel quartz crystal microbalance with dissipation (QCM-D) technique. For the first time, QCM-D enabled the detailed study of protein dynamics (i.e. kinetics, viscoelastic properties, overlayer structure, etc.) onto nanodiamond thin films having various surface chemistry and roughness. The dynamics of protein adsorption is found to be sensitive to surface chemistry at all stages of adsorption, but it is only sensitive to surface roughness during initial adsorption phases. Our understanding of the nanodiamond-biology interface is enhanced by this study, and it suggests that QCM-D is useful for the study of the surface chemistry of nanoparticle forms of inorganic materials. A second study concerns a novel surface functionalization scheme, based on carbene and azo-coupling chemistry, which has been recently introduced as a practical, facile method for modifying the surfaces of polymers. Using modern surface characterization techniques, it is demonstrated that a chemical linker can be attached to polystyrene surfaces using carbene-based chemistry, and that further chemical functionality can be added to this chemical linker via an azo-coupling reaction. In situ studies of protein dynamics at these interfaces were conducted using QCM-D, thus enabling a link between specific protein behaviour and the polymer surface chemical termination chemistry to be made. A third area of study of investigates the use of diamond electrodes as a bio-sensor for dopamine under physiological conditions. For these conditions, ascorbic acid interferes with the dopamine oxidation signal, in ways that render the two signals irresolvable. Various modifications are used in attempts to reduce this interference, including: small and large cathodic treatments, grafting of electro-active polymers, addition of carbon nanotubes, and hydrogen plasma treatment. Those modifications leading to the hydrogen-termination of diamond are shown to work the best. Notably, hydrogen plasma treatment effects the complete electrochemical separation of dopamine and ascorbic acid at a diamond electrode. This is the first time this has been accomplished without adding non-diamond materials to the diamond electrode surface.