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Yang, Zhimou. "Molecular hydrogels : design, synthesis, enzymatic regulation, and biological applications /." View abstract or full-text, 2006. http://library.ust.hk/cgi/db/thesis.pl?CHEM%202006%20YANG.
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Van, Velzen Vera. "Enhancing the functionality of hydrogels using molecular polymer brushes." Thesis, Queensland University of Technology, 2021. https://eprints.qut.edu.au/226153/1/Vera_Van%20Velzen_Thesis.pdf.
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This thesis studies a new approach to enhance the properties of hydrogels using Molecular Polymer Brushes (MPB’S). It examines the morphology of the MPB’s and the GelMA-MPB’s network, the effect of the brushes on the mechanical properties of the hydrogel and the effect of the brushes on the encapsulated cells. In doing so, a new hydrogel is developed, providing new possibilities in the field of cartilage regeneration with the potential to improve treatment for Osteoarthritis.
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Xing, Zhongyang. "DNA scaffolds for functional hydrogels." Thesis, University of Cambridge, 2018. https://www.repository.cam.ac.uk/handle/1810/286065.
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DNA scaffolds self-assembled by short-stranded synthetic DNA can be tailored to build thermally reversible hydrogels with target binding sites. These hydrogels exhibit highly selective binding properties due to the specificity of DNA and also provide an aqueous environment for various reactions to happen within the network constraints. Hence, a careful study on the assembly mechanism and other physical aspects of DNA hydrogels is required to facilitate the future design and construction of such materials at the precise control. In this thesis, I present the work on well-designed DNA nano-stars as scaffolds for functional bulk materials with potential applications in bio-sensing. Chapter 1 starts with introducing the fundamental properties of DNA molecules, focusing on the advantages of utilising short-stranded DNA to programme and engineer micro- and macro- materials. Then it briefly reviews the field of rheology and micro-rheology, with the diffusing wave spectroscopy (DWS) technique illustrated explicitly as an example passive micro-rheology tool. Afterwards, a critical literature review on computational modelling of DNA systems is present, followed by the thesis outline at the end. Chapter 2 describes a simple DNA dendrimer system self-assembled from three-armed DNA nano-stars. The characterisation tools such as UV-vis spectroscopy, gel electrophoresis and dynamic light scattering (DLS) are introduced to verify the final production of the complex DNA structures. From this practice, we develop a routine for designing DNA scaffolds that yield optimal productivity. Chapter 3 investigates the mechanical properties of DNA hydrogels made of three-armed DNA nano-stars and how they change upon cooling and heating empolying DWS micro-rheology. The resulting viscoelastic moduli over a broad range of frequencies reveal a clear, temperature-reversible percolation transition coinciding with the melting temperature of the system's sticky ends. This indicates that we can achieve precise control in mechanical properties of DNA hydrogels, which is beneficial for designing more sensitive molecular sensing tools and controlled release systems. Chapter 4 develops a coarse-graining computational model of DNA hydrogels that resembles the system in Chapter 3 using LAMMPS, a classical molecular dynamics code. Thermodynamics, structural analysis and rheology tests were taken, qualitatively reproducing the physical phenomena of DNA assembly of the hydrogel network. Chapter 5 studies the internal behaviours of three-armed DNA complexes using oxDNA model also implemented in LAMMPS, with particular focus on the effect of the inert bases in the core and between double-stranded branches and single-stranded sticky ends. A deep insight into sequence-dependent behaviour of such complex structures can guide the parameter optimisation of the individual building blocks for the model described in Chapter 4. Chapter 6 concludes the thesis and presents an outlook for the future work that emerged out of my experimental and numerical studies.
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Wang, Huifeng. "Molecular Mass Dependent Mechanical Properties of Metal-free Click Hydrogels." University of Akron / OhioLINK, 2015. http://rave.ohiolink.edu/etdc/view?acc_num=akron1427901118.
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Cedano, Serrano Francisco Javier. "From molecular architecture and electrostatic interactions to underwater adherence of hydrogels." Electronic Thesis or Diss., Sorbonne université, 2019. http://www.theses.fr/2019SORUS056.
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Ce travail essaie de décortiquer les multiples paramètres régissant l’adhésion en phase aqueuse de polymères chargés. Nous cherchons d’abord à établir un lien entre les interactions électrostatiques moléculaires et les différentes architectures moléculaires de matériaux gonflés élastiques (Parties I et II) ou viscoélastiques (Partie III), avant de nous intéresser à l’adhésion en milieu immergé. (Partie I) Le premier système modèle de matériaux synthétiques nous a permis de corréler l’architecture moléculaire des hydrogels élastiques, la densité de charge interfaciale, et la force ionique du milieu avec les propriétés adhésives en phase aqueuse, à un niveau macroscopique en utilisant la technique du Probe-tack, et également à un niveau microscopique avec la microscopie à force atomique. (Partie II) Par ailleurs, étant inspirés par les systèmes adhésifs naturels, nous avons cherché à étendre ce système modèle à la mesure d’adhésion macroscopique entre hydrogels de gélatine de charges opposées. Nous montrons que le système modèle permettant de contrôler et de prédire l’adhésion en milieu aqueux en modifiant la densité de charge interfaciale et les propriétés mécaniques du matériau est transposable aux systèmes à base de gélatine. (Partie III) Enfin, nous avons développé un adhésif bio-inspiré entièrement synthétique à base de coacervation complexe. Ce nouveau système d’adhésif associe les interactions électrostatiques avec des domaines thermo-sensibles, donnant ainsi naissance à un matériau prometteur pour l’adhésion en milieu immergéThis work attempts to unravel some of the intricacies of the aqueous adhesion of elastic or viscoelastic highly swollen charged polymers. In Part I the first model synthetic system permitted us to successfully link the molecular architecture of the elastic hydrogels, their interfacial charge density and the ionic strength of the medium with the underwater adhesion properties at a macroscopic level using probe-tack experiments and a microscopic level using atomic force microscopy. In Part II we successfully expanded the synthetic elastic system to measure macroscopic adhesion between oppositely charged gelatin-based hydrogels. Finally, in Part III we developed a synthetic and bio-inspired adhesive based on complex coacervation. This novel adhesive system combines the contribution of electrostatic interactions and thermoresponsive domains resulting in a material with promising properties as an injectable viscoelastic adhesive for medical applications
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Debertrand, Louis. "Fracture of dual-crosslink dynamic hydrogels : from molecular interactions to fracture energy." Electronic Thesis or Diss., Université Paris sciences et lettres, 2020. http://www.theses.fr/2020UPSLS027.
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Ce projet s'insère dans un projet global plus ambitieux dont l'objectif est de comprendre les mécanismes de la propagation d'une fracture au sein d'un matériau mou. Les matériaux étudiés lors de cette thèse seront principalement des hydrogels, "classiques" ou à double réticulation chimique/physique. L'introduction de liens dynamiques permet de retarder la rupture des liens covalents et augmente l'énergie de rupture. A ce jour, il n'existe aucun modèle d'endommagement qui permette de prédire la rupture à partir de la structure moléculaire. L'objectif est donc de combiner différentes techniques pour détecter la rupture à plusieurs échelles. Au niveau macroscopique ce sera la vitesse de propagation d'une fissure et les conditions de son amorçage qui seront étudiées. A l'échelle mésoscopique le champ de déformation en pointe de fissure sera étudié par corrélation d'image ou suivi de particules fluorescentes. A l'échelle moléculaire il sera aussi possible de s'orienter vers l'utilisation de molécules mécanophores, technique déjà appliquée avec succès au sein du laboratoire pour détecter les forces agissant sur les molécules et les ruptures de liaisonsThis projects is part of an ambitious global project, which objective is to understand the mechanisms of fracture propagation in a soft material. The materials used during this PhD will mostly be hydrogels, whether with simple or double reticulation (chemical and physical). The introduction of dynamic (physical) bonds allows te delaying of the breaking of covalent (chemical) bonds, and increases the energy of failure. To this day, no model exists that would allow fracture prediction from the molecular structure. The objective of this project is thus to combine different technics to detect breaking at different scales. At macroscopic level, the speed of the fracture propagation and its triggering conditions will be studied. At the mesoscopic scale, the strain field at the fracture tip will be studied by digital image correlation or by the use of fluorescent particles. At the molecular scale, one possibility will be to use mecanophorous molecules, a technique already applied with success within the laboratory to detect the forces acting on molecules and bond breakings
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Xu, Haixia. "An investigation of the conductivity of peptide nanostructured hydrogels via molecular self-assembly." Thesis, University of Manchester, 2011. https://www.research.manchester.ac.uk/portal/en/theses/an-investigation-of-the-conductivity-of-peptide-nanostructured-hydrogels-via-molecular-selfassembly(cc3d519a-18ca-4ba3-8172-4d7359080610).html.
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Nanoscale, conductive wires fabricated from organic molecules have attracted considerable attention in recent years due to their anticipated applications in the next generation of optical and electronic devices. Such highly ordered 1D nanostructures could be made from a number of routes. One route of particular interest is to self-assemble the wires from biomolecules due to the wide range of assembly methods that can be adapted from nature. For example, biomolecules with aromatic motifs can be self-assembled so that good π-π stacking is achieved in the resultant nanostructure. An additional advantage of using biomolecules is that it enables the interface of the electronic materials with biological systems, which is important for many applications, including nerve cell communication and artificial photosynthesis. In this study, nanowires were prepared by the molecular self-assembly of oligopeptides that were coupled to aromatic components. In order to achieve charge transport though the nanowires, it was imperative that the aromatic components were arranged so that there was π-π stacking with very few structural defects. Therefore, enzymes were used to control the formation of the hydogelators which subsequently self-assembled to produce nanowire networks. Two main systems were studied in this thesis.In the first system, hydrogelators were produced from aromatic peptide amphiphiles via the enzymatic hydrolysis of the methyl ester of fluorenylmethoxycarbonyl (Fmoc)-di/tripeptides. These hydrogelators formed nanostructures due to π-π stacking between the Fmoc groups and H-bonding between the peptides. The nanostructures in turn produced macroscale gel networks. The nanostructures were analyzed by wide angle X-ray diffraction and fluorescence spectroscopy. A combination of Fourier transform infra-red (FTIR), Transmission Electron Microscopy (TEM), Cryo-TEM, and Atomic Force Microscopy (AFM) was used to characterize the networks. The charge transport properties of the dried networks were studied using impedance spectroscopy. Fmoc-L₃ was found to assemble into nanotubes whose walls consisted of 3 self-assembled layers and possessed inner and outer diameters of ~ 9 nm and ~ 18 nm, respectively. The Fmoc-L₃ networks were structurally stabile and were electronically conductive under a vacuum. The sheet resistance of the peptide networks increased with relative humidity due to the increasing ionic conductivity. The resistance of the networks was 0.1 MΩ/sq in air and 500 MΩ/sq in vacuum (pressure: 1.03 mbar) at room temperature. The networks had a band gap of between 1 to 4 eV as measured by UV-Vis spectroscopy and the temperature-impedance studies. Possible routes for aligning the Fmoc-L3 networks were studied in an attempt to improve their conductivity in one direction. In particular, the peptides were assembled under an electric field (0 to 3.75 kV/cm). Random networks were produced at low field strengths, whereas a degree of alignment was obtained at a field strength of 3.75 kV/cm. The conductivity of the aligned networks in the direction of alignment was a factor of three times higher than that of the random networks.The second system studied was Fmoc-dipeptide-OMe hydrogels produced by the enzymatic condensation of an Fmoc-amino acid and an amino acid ester. Preliminary results found that Fmoc-SF-OMe assembled into nanosheets, nanoribbons and spherulites, depending on the temperature at which self-assembly occurred. The Fmoc-XY-OMe films possessed an extremely high resistance (1012 Ω).
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Lago, Manuela Ermelinda Lopes. "Characterization and functionalization of hydrogels for cell culture." Master's thesis, Universidade de Aveiro, 2013. http://hdl.handle.net/10773/12574.
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Mestrado em Biotecnologia - Biotecnologia MolecularMechanotransduction is the response to and/or the production of mechanical stimuli exerted upon, or by cells, that is coupled to biochemical signals. Cells are surrounded by extracellular matrix (ECM) which has specific mechanical properties and composition depending on the tissue. These components bind to and activate integrins, which results in intracellular signaling that involves the actin cytoskeleton and myosin motor proteins. In neurodegenerative diseases, modifications occur in the ECM composition and rigidity that seem to inhibit oligodendrocyte differentiation and remyelination of the affected area. Oligodendrocytes (OLs) are the myelin-producing cells of the central nervous system (CNS). OL differentiation is modulated by, among other factors, ECM proteins like laminin and fibronectin and by substrate rigidity. Cells also sense substrate stiffness when cultured in vitro. In order to mimic this mechanical component, polyacrylamide platforms were created with defined stiffness, considering the stiffness of the target tissue relevant for this study – the brain. These platforms were functionalized with ECM proteins or small peptides (derived from ECM proteins), that allow to study the impact of these factors on cellular differentiation, in contrast with standard cell culture conditions. The main achievement in this study was to maintain and differentiate oligodendrocytes using a fully defined compliant substrate. Several peptides derived from the laminin-alpha2 chain were used, to provide adhesion to the cells and allow their differentiation. This exploratory study suggests that the peptides under study have a potential to be explored in the future using primary cells and fully evaluate their capacity to modulate oligodendrocyte differentiation, namely to understand which biochemical pathways are involved.
Mecanotransdução é a resposta e/ou a produção de um estímulo mecânico exercido sobre ou por células, que é acoplado a sinais bioquímicos. As células estão rodeadas por matriz extracelular (ECM) que tem propriedades mecânicas e de composição específicas, dependendo do tecido. Estes componentes ligam-se a integrinas e activam-nas, resultando em sinalização intracelular que envolve o citoesqueleto de actina e proteínas motoras. Em doenças neurodegenerativas, são observadas modificações na composição da matriz extracelular e da sua rigidez que pode resultar na inibição de diferenciação de oligodendrócitos e de remielinização das áreas afectadas. Os oligodendrócitos (OLs) são células do sistema nervoso central (CNS) responsáveis pela produção de mielina. A sua diferenciação é modulada por, entre outros fatores, proteínas presentes na matriz extracelular como laminina e fibronectina e pela rigidez do substrato. As células são também sensíveis à rigidez do substrato quando cultivadas in vitro. De forma a mimetizar essa componente mecânica, foram criadas plataformas de poli-acrilamida como substrato com rigidez definida, tendo em consideração o tecido que pretendemos mimetizar - o cérebro. Estas plataformas foram funcionalizadas com proteínas da ECM ou pequenos péptidos presentes nessas mesmas proteínas, permitindo estudar e modular a influência destes mesmos fatores na diferenciação celular, em contraste com condições de cultura standard. A principal novidade deste estudo consiste na manutenção e diferenciação de oligodendrócitos in vitro utilizando um substrato compatível e definido. Foram para isso utilizados péptidos derivados da laminina-alfa2, que promoveram a adesão e diferenciação das células. Este estudo exploratório sugere que os péptidos sob estudo têm potencial para ser utilizados no futuro na modulação da diferenciação de células primárias e perceber qual o papel destes nas vias bioquímicas intracelulares envolvidas.
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Saito, Takashi. "DESIGN AND CHARACTERIZATION OF GELATIN HYDROGELS INCORPORATING LOW-MOLECULAR-WEIGHT DRUGS FOR TISSUE REGENERATION." 京都大学 (Kyoto University), 2015. http://hdl.handle.net/2433/199334.
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Lee, Seung Geol. "Structure-property relationship of hydrogel: molecular dynamics simulation approach." Diss., Georgia Institute of Technology, 2011. http://hdl.handle.net/1853/44844.
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We have used a molecular modeling of both random and blocky sequence hydrogel networks of poly(N-vinyl-2-pyrrolidone-co-2-hydroxyethyl methacrylate) (P(VP-co-HEMA)) with a composition of VP:HEMA = 37:13 to investigate the effect of the monomeric sequence and the water content on the equilibrium structures and the mechanical and transport properties by full-atomistic molecular dynamics (MD) simulations. The degree of randomness of the monomer sequence for the random and the blocky copolymers, were 1.170 and 0.104, respectively, and the degree of polymerization was fixed at 50. The equilibrated density of the hydrogel was found to be larger for the random sequence than for the blocky sequence at low water contents (< 40 wt %), but this density difference decreased with increasing water content. The pair correlation function analysis shows that VP is more hydrophilic than HEMA and that the random sequence hydrogel is solvated more than the blocky sequence hydrogel at low water content, which disappears with increasing water content. Correspondingly, the water structure is more disrupted by the random sequence hydrogel at low water content but eventually develops the expected bulk-water-like structure with increasing water content. From mechanical deformation simulations, the stress-strain analysis showed that the VP is found to relax more efficiently, especially in the blocky sequence, so that the blocky sequence hydrogel shows less stress levels compared to the random sequence hydrogel. As the water content increases, the stress level becomes identical for both sequences. The elastic moduli of the hydrogels calculated from the constant strain energy minimization show the same trend with the stress-strain analysis. Ascorbic acid and D-glucose were used to study the effect of the monomeric sequence on the diffusion of small guest molecules within the hydrogels. By analyzing the pair correlation functions, it was found that the guest molecule has greater accessibility to the VP units than to the HEMA units with both monomeric sequences due to its higher hydrophilicity compared to the HEMA units. The monomeric sequence effect on the P(VP-co-HEMA) hydrogel is clearly observed with 20 wt % water content, but the monomeric sequence effect is significantly reduced with 40 wt % water content and disappears with 80 wt % water content. This is because the hydrophilic guest molecules are more likely to be associated with water molecules than with the polymer network at the high water content. By analyzing the mean square displacement, the displacement of the guest molecules and the inner surface area, it is also found that the guest molecule is confined in the system at 20 wt % water content, resulting in highly anomalous subdiffusion. Therefore, the diffusion of the guest molecules is directly affected by their interaction with the monomer units, the monomeric sequence and the geometrical confinement in the hydrogel at a low water content, but the monomeric sequence effect and the restriction on the diffusion of the guest molecule are significantly decreased with increasing the water content.
We also investigated the de-swelling mechanisms of the surface-grafted poly(N-isopropylacrylamide) (P(NIPAAm)) brushes containing 1300 water molecules at 275 K, 290 K, 320 K, 345 K, and 370 K. We clearly observed the de-swelling of the water molecules for P(NIPAAm) above the lower critical solution temperature (LCST) (~305 K). Below the LCST, we did not observe the de-swelling of water molecules. Using the upper critical solution temperature (UCST) systems (poly(acrylamide) brushes) for comparison purposes, we did not observe the de-swelling of water molecules at a given range of temperatures. By analyzing the pair correlation functions and the coordination numbers, the de-swelling of the water molecules occurred distinctly around the isopropyl group of the P(NIPAAm) brush above the LCST because C(NIPAAm) does not offer sufficient interaction with the water molecules via the hydrogen bonding type of secondary interaction. We also found that the contribution of the N(NIPAAm)-O(water) pair is quite small because of the steric hindrance of the isopropyl group. By analyzing the change in the hydrogen bonds, the hydrogen bonds between polar groups and water molecules in the P(NIPAAm) brushes weaken with increasing temperature, which leads to the de-swelling of the water molecules out of the brushes above the LCST. Below the LCST, the change in the hydrogen bonds is not significant. Again, the contribution of the NH(NIPAAm)-water pairs is insignificant; the total number of hydrogen bonds is ~20, indicating that the interaction between the NH group and the water molecules is not significant due to steric hindrances. Lastly, we observed that the total surface area of the P(NIPAAm) brushes that is accessible to water molecules is decreased by collapsing the brushes followed by the de-swelling of water molecules above the LCST.
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Sindhu, Kotagudda Ranganath. "Low molecular weight hydrogels : une stratégie de revêtement de biopiles enzymatiques pour augmenter la fonctionnalité et la biocompatibilité." Thesis, Bordeaux, 2019. http://www.theses.fr/2019BORD0058.
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Les biopiles enzymatiques miniatures représentent un potentiel important pour la future génération de dispositifs médicaux implantables, utilisés pour le diagnostic, le pronostic et le traitement. Ces derniers fonctionnent actuellement avec des sources d'énergie externes. Ces biopiles utilisant les molécules présentes dans les fluides biologiques sont des dispositifs médicaux prometteurs. Le glucose, qui est abondamment disponible dans le corps, est à l’étude comme biocarburant permettant de produire de l’énergie. Les enzymes utilisées pour produire l'énergie à partir des produits biochimiques sont immobilisées sur des électrodes en or par des médiateurs redox. Cependant, la faible puissance actuellement disponible et la sensibilité des enzymes à l'environnement limitent leur application in vivo. Malgré des recherches intensives, de nombreux problèmes restent à résoudre, notamment l'amélioration de la puissance, de la stabilité et de la biocompatibilité des biopiles.La réaction à corps étranger et l'isolement du dispositif médical par la formation d'une capsule fibreuse peuvent d'une part dénaturer les enzymes et, d'autre part, entraver la diffusion des analytes et de l'oxygène. Le travail décrit dans cette thèse vise à protéger les biopiles fonctionnant à base de glucose. Afin de résoudre les problèmes mentionnés ci-dessus, les hydrogels, actuellement développés pour diverses applications telles que l'administration de médicaments, l'ingénierie tissulaire et les dispositifs médicaux, offrent des propriétés prometteuses en tant que matériaux de revêtement.La première partie de la thèse est centrée sur l'évaluation de différents hydrogels injectables de faible poids moléculaire, en analysant à la fois la gélification in vitro et in vivo, la cinétique de dégradation, la réaction à corps étranger et l'angiogenèse. Les hydrogels présentent une dégradation lente et une intégration tissulaire optimale. Une angiogenèse accrue a été observée en raison de la libération d'une molécule pro-angiogénique pendant la dégradation de l'hydrogel.Dans la seconde partie de la thèse, l'un des hydrogels étudiés a été utilisé pour recouvrir l'électrode en or : le choix de l'enzyme a été basé sur des études de stabilité in vitro. En parallèle, le processus de revêtement a été optimisé, à la fois pour son uniformité et son épaisseur. Même si un revêtement plus épais présente l’avantage de protéger l’électrode contre la réaction à corps étranger, il est nécessaire de limiter l’épaisseur afin de maintenir une diffusion efficace des analytes et de l’oxygène.Les expériences en cours décrites dans la dernière partie de la thèse sont axées sur l'optimisation de l'implantation chez le rat et la mesure de l'activité des biopiles. De plus, les électrodes ont été connectées à une antenne pour établir une communication sans fil ; en effet, cela permettrait une mesure non invasive de l'activité enzymatique.En conclusion, ces travaux ont permis d'identifier un hydrogel pouvant être utilisé pour revêtir les électrodes de biopiles. Le sous-produit libéré lors de la biodégradation favorise l'angiogenèse au voisinage du matériau. Grâce à ce revêtement, on peut donc s'attendre à un échange accru d'analytes et d'oxygène, préalable indispensable à l'activité enzymatiqueMiniature enzymatic biofuel cells hold great potential to power the future generation of implantable medical devices, which are currently working on external power sources used for diagnosis, prognosis and treatment. Enzymatic biofuel cells appear to be promising in harvesting the energy from biochemicals present in physiological body fluids. Glucose, which is abundantly available in the body, is being explored as a biofuel to harvest energy. The enzymes employed to harvest the energy from the biochemicals are electrically wired on gold electrodes by redox mediators. However, the limitation of insufficient power, and the sensitivity of the enzymes towards host environment restrict their in vivo application. Despite several attempts, numerous challenges remain to be addressed such as improved current density, increased stability, and biocompatibility of enzymatic biofuel cells.Foreign body reaction and isolation of the medical device by formation of a fibrous capsule may firstly denature the enzymes, and secondly hinder the diffusion of analytes and oxygen. The work described in this thesis aims at protecting glucose based biofuel cells. As a strategy for combatting the bottlenecks mentioned above, hydrogels, currently developed for various applications such as drug delivery, tissue engineering, and medical device, offer promising properties as coating materials.The first part of the thesis is focused on evaluating different low molecular weight injectable hydrogels by analysing both in vitro and in vivo gel formation, degradation kinetics, foreign body reaction and angiogenesis. The hydrogels exhibit slow degradation, and optimal tissue integration. Enhanced angiogenesis was observed due to a pro-angiogenic molecule released during hydrogel degradation.In the second part of the thesis, one of the studied hydrogels was used to coat the gold electrode functionalised with enzyme: the selection of the enzyme was based on in vitro stability studies. In parallel, the process of coating was optimised, both for uniformity and thickness. Although a thicker coating should protect the electrode against foreign body reaction, it was necessary to limit the thickness in order to maintain an efficient analyte and oxygen diffusion.Ongoing experiments described in the last part of the thesis are focused on the optimisation of implantation in rat and measurement of the biofuel cell activity. In addition, the electrodes were connected to an antenna for wireless communication; indeed, such a device would allow for a non-invasive measurement of enzyme activity.To conclude, this work allowed for the identification of a hydrogel that can be used to coat the electrodes of biofuel cells. The byproduct released during the biodegradation favours angiogenesis in the vicinity of the material. Thanks to this coating, we can therefore expect an enhanced exchange of analytes and oxygen, which is a prerequisite for enzyme activity
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Furuya, Tsutomu. "Structure Formation and Physical Properties of Aqueous Polymer Solutions and Hydrogels with Additives." Kyoto University, 2019. http://hdl.handle.net/2433/236625.
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Cross, Michael C. "Biophysical Characterization and Theoretical Analysis of Molecular Mechanisms Underlying Cell Interactions with Poly(N-isopropylacrylamide) Hydrogels." Scholar Commons, 2016. http://scholarcommons.usf.edu/etd/6213.
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So-called, “Dynamic biomaterials” comprised of stimuli-responsive hydrogels are useful in a wide variety of biomedical applications including tissue engineering, drug delivery, and biomedical implants. More than 150,000 peer-reviewed articles (as of 2016) have been published on these materials, and more specifically, over 100,000 of these are on the most widely studied, poly(N-isopropylacrylamide). This thermoresponsive polymer in a crosslinked hydrogel network undergoes a large volume phase transition (𝑉/𝑉0 ~ 10 − 100) within a small temperature range (𝑇 ~ 1 − 3𝐾) making it particularly useful for tissue engineering applications because of the ability to control the topographical configuration of cells into tissue modules which can be applied in multiple layers to form three dimensional constructs. Nevertheless, applications with poly(N-isopropylacrylamide) hydrogels are hindered by two key obstacles: 1. there is presently no quantitative prediction of mechanical properties over the volume phase transition and 2. the mechanisms of cell attachment and detachment remain controversial and unclear.
Current polymer-solution theory, first postulated by Paul Flory and Maurice Huggins in 1942, successfully predicts hydrogel swelling for non-stimuli-responsive polymers based on an empirically derived interaction parameter. However, for stimuli-responsive polymer hydrogels, this theoretical framework fails to quantitatively predict swelling and mechanical properties of the polymer. Currently, only qualitative agreement with experiment has been shown.
Cell-cell and cell-matrix interactions are mediated through proteins collectively known as cell adhesion molecules. For cell-matrix interactions, these are generally the transmembrane protein, integrin, and the serum protein, fibronectin. It is widely accepted that nearly all molecular mechanisms of cell-matrix interactions are dependent on recognition of the peptide sequence Arg-Gly-Asp. However, much less is known about mechanical mechanisms involved in cell-cell and cell-matrix interactions.
Obstacles to the advancement of these applications are 1) unclear mechanisms of cell release and 2) extended exposure of cells to hypothermic conditions. The author, in collaboration with others, has published work demonstrating reduced cell exposure to hypothermic conditions during tissue module release and elucidated a mechanism of tissue module release: mechanical strain. The central hypothesis of work in this proposal is that tissue module release occurs due to a mechanical strain-rate coinciding with critical force needed overcome the dynamic bond strength of cell adhesion molecules. Advances in this area could improve biomaterial design and accelerate the field of regenerative medicine by reducing or eliminating the need for allograft transplants.
This dissertation project, then, seeks to address these two obstacles through biophysical characterization methods and analysis including: atomic force microscopy, scanning electron microscopy, laser-scanning confocal micrscopy, phase-contrast microscopy, and mass-balance analysis. It is hypothesized that, (1) mechanical properties of PNIPAAm hydrogels are quantitatively predicted based on crosslinker ratio in the water-rich phase, (2) release of cells from micropatterned PNIPAAm hydrogels occurs when the lateral strain in the surface exceeds ϵ > 0.25, and (3) the molecular mechanism of rapid cell release from micro-patterned PNIPAAm hydrogels is mediated by the transmembrance protein integrin and its extracellular matrix receptor, fibronectin. Results from these studies could be useful for improving the design of biomaterials based on PNIPAAm hydrogels for applications in tissue engineering.
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ZHANG, YANXIAN. "Molecular Understanding and Design of (I) Amyloid Inhibition and Cross-seeding and (II) Functional, Tough Hydrogels." University of Akron / OhioLINK, 2021. http://rave.ohiolink.edu/etdc/view?acc_num=akron1619525391595423.
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Raeburn, Jaclyn. "Understanding the self-assembly process and tunability of the final properties of dipeptide-based low molecular weight hydrogels." Thesis, University of Liverpool, 2014. http://livrepository.liverpool.ac.uk/2006664/.
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Reported in this thesis is the ability to prepare a number of dipeptide-conjugate hydrogels with tunable final properties, through judicious choice of the assembly conditions and gelator structure. Gelation of these materials can be triggered by solvent-mediated, pH-triggered, UV-triggered and electrochemically-induced means to give different mechanical properties. Subtle changes in the assembly conditions can evoke changes in the final properties - something that was evident across a range of gelator systems and methods of triggering gelation. UV and electrochemical methods demonstrated the ability to spatially and temporally control gelation, which could be of potential use to biosensor and cell culturing applications. Molecular rotors could be employed to monitor the kinetics of the gelation process, indicating an evolution in self-assembled structure around the pKa of a gelator. This thesis highlights the importance of the self-assembly process on the final properties of dipeptide-conjugate gels. A better understanding of this process will be beneficial for gelator design. Where specific hydrogel properties are needed, the gelator will be tunable for a desired application by manipulating the assembly conditions.
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Kulovaná, Eva. "Vliv rozpouštědla na deformační chování hydrogelů." Doctoral thesis, Vysoké učení technické v Brně. Fakulta chemická, 2021. http://www.nusl.cz/ntk/nusl-437980.
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The thesis deals with molecular dynamic simulation of the influence of water on the deformation of hydrogels. Hydrogels are model materials formed from macromolecular networks solvated with water. It was found that water can form bridges between macromolecules that take the form of temporary ionic crosslinks. These bridges affect the behavior of the network during deformation. Water bridges are water molecules that have a limited radius of motion in the space between two macromolecules. The concentration of the water bridges was regulated by a partial charge on the macromolecular chain in the organic network. Bridges are a type of interaction that is relatively strong but significantly delocalized. It is not possible to dissociate the water bridge, after dissociation it will be re-created in another place in a short time. The influence of water bridges was compared with other types of network crosslinks, especially covalent and physical bonds. Covalent crosslinks are modeled as a simple binding interaction between two macromolecules. They are undissociable and are local throughout the simulation. Physical bonds are modeled as micelles, where hydrophobic groups form the core and hydrophilic groups form the micelle shell. Physical bonds have the nature of dissociable bonds that are local. Different types of crosslinks have different effects on deformation properties. The deformation of a network containing a combination of two types of crosslinks was simulated: (i) physically-covalent, (ii) ionically-covalent, and (iii) physically-ionic networks and (iv) ternary physically-covalent-ion networks. For individual and combined networks, the behavior depending on simple networks was verified. The number of water bridges was fundamentally affected by the primary structure of the chains. When the PEG chain was replaced with hydrophobic polyoxymethylene (POM) or polyoxytrimethylene (POTM), their solvation and mechanical behavior deteriorated.
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Rodriguez, Vilches Seila. "Nanostructuration of innovative molecular imprinted polymers for their use in protein detection." Toulouse 3, 2011. http://thesesups.ups-tlse.fr/1387/.
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Le but de ce travail de thèse était de concevoir et de développer un nouveau type de matériau nanostructuré qui pourrait être utilisé dans une biopuce capable de détecter sélectivement des protéines telles que des biomarqueurs cancéreux. La méthode choisie pour atteindre cet objectif a été la technique des polymères à empreinte moléculaire (MIP). Le MIP a dû être structuré en lignes nanométriques pour être couplé par la suite avec un système de détection sans marquage utilisant la diffraction de la lumière. L'ensemble pourrait être ensuite mis en forme sur des biopuces. Pendant la première partie de ce projet, les différentes formulations d'hydrogel ont été évaluées, ce qui nécessite de répondre à plusieurs spécifications: processus de polymérisation à 25-37° C, dans une solution tampon phosphate et temps de polymérisation de moins de 15 minutes. En outre, l'hydrogel devait porter des groupes fonctionnels pouvant interagir avec une protéine, être transparent et biocompatible. Enfin, ces matériaux devaient présenter d'une part des tailles de pores compatibles avec celle de la protéine afin d'assurer une reconnaissance en surface et d'autre part des propriétés mécaniques qui soient compatibles avec les procédés technologiques usuels. Trois formulations ont été sélectionnées pour la synthèse d'hydrogel, ayant des groupes fonctionnels présentant soit une charge positive ou négative, ou sans charge du tout. Ces matériaux ont été caractérisés par des techniques telles que piézorhéométrie, calorimétrie différentielle à balayage (DSC), microscopie électronique à balayage (MEB, MET et cryoSEM), microscopie à force atomique (AFM) et profilométrie. En suivant la formation de l'hydrogel sous irradiation UV par piézorhéométrie, nous avons montré que la réticulation maximale était atteinte en moins de 5 minutes en utilisant une lampe avec une puissance de 150 mW/cm2. En outre, nous avons également confirmé que ces formulations sont compatibles avec la lithographie par nanoimpression UV et que des réseaux périodiques de taille sub-micrométriques pouvaient être obtenus. Les MIP à protéine réalisés à partir des conditions optimisées ont été évalués par fluorescence après les expériences de ré-incubation, indiquant une reconnaissance de la streptavidine avec un facteur d'impression de F. I = 1,7The aim of this PhD work was to design and develop a new type of nanostructured material that could be further used in a biochip capable of selectively detecting proteins such cancer biomarkers. The chosen method to achieve this goal was the molecularly imprinted polymer (MIP) technique. The MIP had to be structured in nanometric lines to be coupled subsequently with the diffracting label-free detection. During the first part of this project, different hydrogel formulations were assessed, which needed to respond to several specifications: polymerization process at 25-37°C in phosphate buffer solution and a polymerization time of less than 15 minutes. In addition, the hydrogel required functional groups that can interact with the protein, it needed to be transparent and biocompatible. Finally, these materials had to have pore sizes compatible with that of the protein for successful surface recognition and exhibit mechanical properties which are compatible with routine technological processes. Three formulations for hydrogel synthesis were selected, including functional groups presenting either a positive or negative charge, or no charge at all. These materials were characterized by techniques such as piezorheometry, differential scanning calorimetry (DSC), electron microscopy (SEM, TEM and cryoSEM), atomic force microscopy (AFM) and profilometry. By following the formation of the hydrogel under UV irradiation by piezorheometry, we showed that maximal crosslinking was achieved in less than 5 minutes when using a lamp with a power of 150 mW/cm2. In addition we also confirmed that these formulations were compatible with UV-nanoimprint lithography and that sub-micron periodic gratings could be obtained. The protein MIPs after batch rebinding experiments were evaluated by fluorescence, showing recognition for streptavidin with an imprinting factor of I. F= 1. 7
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Huang, Henry. "Exploring New Therapeutic Strategies for Osteoarthritis: From Genetic Manipulation of Skeletal Tissues to Chemically-modified Synthetic Hydrogels." eScholarship@UMMS, 2017. https://escholarship.umassmed.edu/gsbs_diss/919.
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Osteoarthritis (OA), a degenerative disease of articular joints, is the leading cause of chronic disability in the US and affects more than a third of adults over 65 years old. Due to the obesity epidemic and an aging population, the prevalence of OA is expected to rise in both young and old adults. There are no disease modifying OA drugs. Therefore, providing any treatment options that delay the onset or progression of OA is highly desirable. The scope of this dissertation examines two different strategies to promote translational therapies for OA. The first approach investigated whether Smad ubiquitin regulatory factor 2 (Smurf2), an E3 ubiquitin ligase, could be a potential therapeutic target for OA. The second approach examined the incorporation of small chemical residues to enhance the physical and bioactivity of a bioinert scaffold for cartilage tissue repair.
Overexpression of Smurf2 in chondrocytes was shown to accelerate spontaneous OA development in mice. We hypothesized that reduced Smurf2 expression could slow the progression of OA and enhance the performance of cells for cartilage repair. By performing surgical destabilization of the medial meniscus (DMM) on Smurf2-deficient mice, loss of Smurf2 was shown to mitigate OA changes in young mice but this protection diminished in older mice. Assessment of Smurf2-deficient chondrocytes in vitro revealed an upregulation of chondrogenic genes compared to wild-type; however, these differences were not seen at the protein level, deterring its potential use for cell-based therapies. During the course of this study, new insights about how age and sex affects different joint compartments in response to DMM surgery were also uncovered. These results broadened existing understanding of DMM-induced OA in mice but also questioned the validity of such a model to identify disease modifying targets that are translatable to OA in humans with advanced age.
Due to a lack of innate repair mechanisms in cartilage, damage to cartilage increases the risk of developing OA early. Tissue engineering provides a unique strategy for repairing damaged cartilage by delivering cells in a well-controlled environment that can promote the formation of neotissue. We hypothesized that synthetic chemical residues could enhance the mechanical properties of a bioinert scaffold and promote matrix production of encapsulated chondrocytes. Covalent incorporation of small anionic or zwitterionic chemical residues in a polyethylene glycol-based hydrogel improved its stiffness and resistance to fluid flow, however, the resulting physical environment can also exert a dominant negative effect on matrix production of encapsulated chondrocytes. These results suggest that modulating the biosynthesis of chondrocytes with biochemical signals requires a concurrent reduction in any conflicting mechanotransduction signaling, emphasizing the importance of a degradable system to promote new cartilage formation.
In summary, this dissertation establishes Smurf2 as a modulator of OA progression but implies that other factors such as age or protein(s) with redundant Smurf2 functions may play a role in limiting its effect as a therapeutic target. This work also reveals fundamental biology about how chondrocytes behave in response to physical and chemical cues in their microenvironment, which will aid in the design of better scaffolds for cartilage tissue engineering.
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Giraudon--Colas, Gaël. "Caractérisation multiéchelle d'assemblages d'hémoglobine : de l'adsorption sur les nanoparticules aux gels nanocomposites Protein−Nanoparticle Interactions: What Are the Protein−Corona Thickness and Organization? In Situ Analysis of Weakly Bound Proteins Reveals Molecular Basis of Soft Corona Formation." Thesis, université Paris-Saclay, 2021. http://www.theses.fr/2021UPASF011.
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Les gels de protéine nanocomposites sont un sujet encore peu développé dans la littérature malgré de nombreuses applications allant de l’immobilisation d’enzyme aux prothèses en passant par les gels alimentaires. La protéine permet d’assurer la biocompatibilité des gels tandis que l’ajout des nanoparticules a pour but de moduler les propriétés mécaniques des gels. Nous avons donc décidé de nous intéresser aux gels d’hémoglobine réticulée chimiquement et dopés aux nanoparticules. L’hémoglobine (Hb) a été choisie pour sa grande abondance et ses propriétés de fixation du dioxygène. Les gels seront obtenus par réticulation par le glutaraldéhyde (GTA), un dialdéhyde très réactif. Les gels seront dopés par des nanoparticules de silice (NP) afin de comprendre déjà l’effet sur le gel du dopage par des nanoparticules modèles. La première partie de la thèse portera sur l’adsorption de l’hémoglobine sur les nanoparticules de silice afin de lever les dernières inconnues sur ce phénomène déjà étudié. Il sera mesuré les isothermes d’adsorption ainsi que l’activité de l’hémoglobine adsorbée. Les structures de l’hème, de la globine et de l’assemblage Hb/NP seront étudiées avec détails. Par la suite, les études se porteront sur les gels sans et avec nanoparticules afin d’élucider les effets de la gélification et du dopage respectivement. On déterminera les concentrations en Hb, GTA et NP permettant d’obtenir un gel. Puis, comme pour les assemblages Hb/NP, nous nous intéresserons à l’activité et à la structure de Hb (hème et globine). La structuration du gel sera de plus étudiée. Des études sur les propriétés élastiques des gels seront aussi menées et nous finirons sur la dynamique de la protéine gélifiée. Quand il sera possible, l’effet des concentrations des différents composants sera déterminé. Pour toutes ces études, il a été utilisé un vaste panel de techniques de caractérisation classique des protéines ou des gels. Beaucoup d’expériences ont été effectuées sur grands instruments (diffusion de rayonnement, spectroscopie d’adsorption X, dichroïsme circulaire). Des techniques plus accessibles comme la résonance paramagnétique électronique, la rhéologie ou la microscopie électronique ont aussi été employées. Les aspects les plus novateurs de cette thèse ont été l’effet de l’adsorption sur l’hème et la compréhension de la structure de la protéine gélifiée, deux aspects qui n’avaient pas été traitésNanocomposite protein gels are still an underdeveloped subject in the literature despite many applications ranging from enzyme immobilization to prostheses to food gels. The protein ensures the gel biocompatibility while the addition of the nanoparticles will modulate the gel mechanical properties. We decided to focus on chemically cross-linked hemoglobin gels doped with nanoparticles. Hemoglobin (Hb) was chosen for its high abundance and its oxygen binding properties. The gels will be obtained by crosslinking with glutaraldehyde (GTA), a very reactive dialdehyde. The gels will be doped with silica nanoparticles (NP) in order to understand the effect of doping with model nanoparticles on the gel. The first part of the work will focus on the hemoglobin adsorption on silica nanoparticles in order to resolve the remaining unknowns on this phenomenon, which has already been studied. The adsorption isotherms as well as the activity of the adsorbed hemoglobin will be measured. The structures of the heme, globin and the Hb/NP assembly will be studied in details. Subsequently, works will focus on gels without and with nanoparticles in order to respectively elucidate the effects of gelation and doping. We will determine the concentrations of Hb, GTA and NP to obtain a gel. Then, as with the Hb/NP assemblies, we will look at the activity and structure of Hb (heme and globin).The structuring of the gel will also be studied. Works on the gel elastic properties will also be carried out and we will finish on the dynamics of the gelled protein. When possible, the concentration effect for the different components will be determined. For all these studies, a large panel of conventional technics to characterize proteins or gels was used. Many experiments have been performed in synchrotrons and neutron research centers (radiation scattering, X-ray absorption spectroscopy, circular dichroism). Electronic paramagnetic resonance, rheology or electron microscopy, which are more accessible technics have also been employed. The most innovative aspects of this work were the effect of adsorption on heme and the understanding of the gelled protein structure, two aspects that had not been addressed until now
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Sowers, Kegan. "Decellularized Matrices Effect on the Adaptive Immune Response." VCU Scholars Compass, 2018. https://scholarscompass.vcu.edu/etd/5698.
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Decellularized extracellular matrices have been a growing area of interest in the biomedical engineering fields of tissue engineering and regenerative medicine.As these materials move toward clinical applications, the immune response to these materials will be a driving force toward their success in clinical approaches. Fully digested decellularized matrix constructs derived from porcine liver, muscle and lung were created to test the adaptive immune response. Hydrogel characterization ensured that the materials had relatively similar stiffness levels to reduce variability, and in vitro studies were conducted. Each individual construct as well as a gelatin control were plated with a co-culture of macrophages and T-cells to measure T-cell proliferation. In addition standard markers of inflammation through qPCR were measured in the macrophage group. Constructs were then placed into animals for 3 and 7 days in addition to a second group that received constructs for 21 days before secondary constructs were placed. These groups were then sacrificed following 3, 7 and 14 days to measure the residual and memory-like response of the constructs. Our results showed that t-cell proliferation was increased with decellularized constructs, particularly in tissue with higher DNA content. In vivo, animals with secondary treatments showed extended inflammatory response, driven by Th1 and Th17 polarization suggesting a memory-like response due to recognition of peptides in the constructs from secondary placements.
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Clark, Amanda. "Growth Plate Regeneration Using Polymer-Based Scaffolds Releasing Growth Factor." UKnowledge, 2013. http://uknowledge.uky.edu/cbme_etds/12.
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Currently growth plate fractures account for nearly 18.5% of fractures in children and can lead to stunted bone growth or angular deformation. If the body is unable to heal itself a bony bar forms, preventing normal bone growth. Clinical treatment involves removing the bony bar and replacing it with a filler substance, which causes poor results 60% of the time.
Using primarily poly(lactic-co-glycolic acid) (PLGA) as the scaffold material, the goal was to develop an implant that would support to the implant site, allow for cell ingrowth, and degrade away over time. Porous scaffolds were fabricated from PLGA microspheres using the salt leaching method. The first part of this work investigated the effect of sintering the microspheres by studying the mechanical properties, degradation and morphology and their potential applications for hard and soft tissue implants. Growth factor or drugs can be encapsulated into PLGA microspheres, which was the second part of this work. Encapsulated insulin-like growth factor I (IGF-I) was able to withstand the scaffold fabrication process without compromising it’s bioactivity and promoted cell proliferation.
The next part of this work experimented with the addition of a hydrogel porogen. Porogen particles were made using a quick degrading poly(beta-amino ester) (PBAE) hydrogel and loaded with ketoprofen. The addition of the porogen creates a dual drug-releasing scaffold with a localized delivery system.
The final step of this work involved animal studies to determine the effectiveness of the scaffolds in growth plate regeneration and how they compare to the current clinical treatment option. Gross observation, microCT analysis, angular measurement of bone growth and histological methods were employed to evaluate the scaffolds.
The goal was to develop a versatile scaffold that could be used for a wide range of tissue engineering applications. The mechanical properties, degradation profiles and drug delivery capabilities can be all tailored to meet the specific needs of an implant site. One specific application was regenerating the native growth plate that can also encourage the endogenous mesenchymal stem cells to follow the desire linage. By regenerating the native growth plate, angular deformation and stunted limb growth were greatly reduced.
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Pejlovas, Aaron Matthew. "Microwave Spectra and Molecular Structures of Organic Molecules and Hydrogen Bonded Dimers." Thesis, The University of Arizona, 2018. http://pqdtopen.proquest.com/#viewpdf?dispub=10748431.
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The microwave spectra were measured in the 4–15 GHz regime for cyclopropanecarboxylic acid, 1,2-cyclohexanedione, maleimide, phthalimide, and 4a,8a-azaboranaphthalene. Doubly hydrogen bonded dimers formed with formic acid were also measured with the molecules cyclopropanecarboxylic acid, 1,2-cyclohexanedione, maleimide, and tropolone. Measurements were made using a pulsed beam Fourier transform microwave spectrometer. Rotational and centrifugal distortion constants were determined from the microwave spectra. In the case of the systems that exhibit electric quadrupole coupling interactions, the electric quadrupole coupling strengths were also determined from the analysis of the hyperfine structure in the spectra, yielding additional electronic structure information for the molecules studied. The spectra were also measured for a number of unique, singly substituted isotopologues under natural abundance concentrations. This isotopologue data is crucial in order to obtain key gas phase molecular structure parameters of the molecules and complexes studied. Many theoretical computations, using ab initio and DFT methods, were also performed to obtain optimized electronic structures of the systems studied. These computations aid in the search and assignments of the rotational transitions measured. Comparisons between the theory and the experimental results are described in greater detail in the respective chapters for those systems. The experimental results for the organic systems studied agreed well (within a few percent) with the gas phase optimization computations performed.
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Hunt, Maria, University of Western Sydney, of Science Technology and Environment College, and School of Engineering and Industrial Design. "Molecules in southern molecular clouds: a millimetre-wave study of dense cores." THESIS_CSTE_EID_Hunt_M.xml, 2001. http://handle.uws.edu.au:8081/1959.7/116.
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This thesis presents an observational study of molecular abundances in the dense cores of 27 prominent molecular clouds in the southern galactic plane.The molecular abundances and physical conditions in dense condensations have been derived from millimetre-wavelength observations of molecular rotational transitions.The study has produced a comprehensive data set of transition intensities and abundances for 10 different molecules in bright southern molecular clouds, and the general characteristics of emissions from these molecules such as optical depth, excitation and relative abundances are discussed. A comparison of different methods of calculating molecular hydrogen column density from observations of carbon monoxide emission is included.Both the analysis and the data collected provide an excellent starting point for further observational and theoretical studies of molecular clouds in the southern Milky Way utilising new instruments such as the millimeter-wave upgrade to the Australia Telescope Compact Array and the Attacama Large Millimetre Array (ALMA).Doctor of Philosophy (PhD)
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Wilkinson, David Adam. "Molecular hydrogen in galaxies." Thesis, Durham University, 1987. http://etheses.dur.ac.uk/6657/.
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This study aims to understand the key role played by molecular hydrogen in the evolution of galaxies, with a view to constraining its radial distribution in the Galaxy and the CO→H(_2) conversion factor α(_20).The star formation rate is shown to be correlated with the surface density of H(_2). A correlation between the molecular hydrogen fraction and the metallicity of a region allows the time evolution of H(_2) to be described. This leads to a modified 'Schmidt Law' of the SFR which explains quite naturally the production of galactic metallicity gradients and the constancy of the SFR in the absence of infall. A consistent closed model of the chemical evolution of the Galaxy is proposed to solve the G-dwarf problem, the stellar age-metallicity relation and the metallicity gradient, leading to the prediction of some initial amount of pre-disc processing of gas into visible and dark matter. It is found that a constant yield of metals is more appropriate than a yield proportional to metallicity. Possible time variations of the returned fraction, the dark matter fraction and the SFR are also studied. For consistency, we suggest that dark matter in the solar neighbourhood could be totally baryonic provided the Miller-Scalo IMF is modified at the lower end, that is, the dark matter resides in low mass stars or brown dwarfs. The production of metallicity gradients in spiral galaxies is shown to be a direct consequence of the radial variation of the total surface density of matter and the age of the disc. The role of molecular gas in the evolution of the Oort Cloud of comets is examined. It is shown that comet showers with a mean interval of ̴̱ 30My cannot be produced using perturbations of the Oort Cloud by known stars or molecular clouds. If there is indeed an apparent 30My periodicity in the terrestrial mass extinction and geological records, we argue that astronomically induced processes are unlikely to be the primary cause. Evidence is presented that the lifetime of the molecular gas phase is ≤ 2.lO(_8)y, and arguments, particularly from CO observations of the Virgo galaxy cluster, favouring longer lifetimes are shown to be not well founded. We suggest that the ICM in Virgo reduces the value of α(_20) as compared to isolated galaxies. From the above considerations, the radial distribution of in the Galaxy is derived and shown to agree in the inner Galaxy with that derived from ɤ-ray analysis. In the solar neighbourhood we find α(_20) = 2.5±0.5, and present evidence that α(_20) varies as a function of Galactocentric radius and from galaxy to galaxy.
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Li, Chengguang. "Molecular hydrogen in planetary nebulae." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 1998. http://www.collectionscanada.ca/obj/s4/f2/dsk2/tape15/PQDD_0027/MQ31359.pdf.
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Gatti, Francesco Gilberto. "Hydrogen bond-assembled molecular shuttles." Thesis, University of Warwick, 2001. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.247443.
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Pérez, Emilio M. "Hydrogen-bonded synthetic molecular machines." Thesis, University of Edinburgh, 2004. http://hdl.handle.net/1842/15610.
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This thesis reports on: 1) the development of two new methods to provoke the translation of the macrocycle along the thread (“shuttling”) in hydrogen bonded, fumaramide-based [2]rotaxanes and 2) the utilization of that movement to provoke a potentially useful response. The fumaramide template is perfectly preorganised to form four intercomponent hydrogen bonds with a benzylic amide macrocycle, affording [2]rotaxanes in “world record” yields. This preorganisation can be disrupted by photo-isomerisation (254 nm) of the E double bond to its Z counterpart. The newly formed maleamide template shows little affinity for the macrocycle. This has previously been exploited to synthesise a light and heat switchable molecular shuttles. A unique tristable molecular shuttle in which the macrocycle can be located in three different “stations” by means of thermal and photochemical stimuli is described in Chapter Two. In Chapter Three an alternative mechanism of shuttling for fumaramide-based molecular shuttles is reported. The reversibility of Diels-Alder chemistry is exploited to synthesise a chemically driven molecular shuttle. A chiral two-station [2]rotaxane in which translational motion of the macrocycle along the thread results in a profound change in its optical properties (CD spectrum) is described in Chapter Four. Finally, a light-switchable optically-addressable molecular shuttle is discussed. A [2]rotaxane with a thread containing a fluorophore and a macrocycle functionalised to quench its fluorescence was synthesised. Shuttling of the macrocycle along the thread switched the fluorescence “on” and “off”.
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Onay, Aytun. "Hydrogen Storage Capacity Of Nanosystems: Molecular." Master's thesis, METU, 2008. http://etd.lib.metu.edu.tr/upload/3/12609636/index.pdf.
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In recent decades, tremendous efforts have been made to obtain high hydrogen storage capacity in a stable configuration. In the literature there are plenty of experimental works investigating different materials for hydrogen storage and their storage values. In the first part of this thesis the available literature data have been collected and tabulated. In addition to the literature survey the hydrogen storage capacity of carbon nanotubes and carbon nanotubes doped with boron nitride (CBN nanotubes) with different chirality have been investigated by performing quantum chemical methods at semiempirical and DFT levels of calculations. It has been found that boron nitrite doping increases the hydrogen storage capacity of carbon nanotubes. Single wall carbon nanotubes (SWNT) can be thought as formed by warping a single graphitic layer into a cylindrical object. SWNTs attract much attention because they have unique electronic properties,
very strong structure and high elastic moduli. The systems under study include the structures C(4,4), H2@C(4,4), C(7,0), C(4,0), and the BN doped C(4,4), H2@C(4,4), 2H2@C(4,4), C(7,0), H2@C(7,0), 2H2@C(7,0). Also, we have investigated adsorption and desorption of hydrogen molecules on BN doped coronene models by means of theoretical calculations.
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Montgomerie, Christine Ann. "Spectroscopy of the hydrogen molecular ion." Thesis, University of Oxford, 1989. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.257936.
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Guest, Michael Arthur. "The infrared spectrum of molecular hydrogen." Thesis, University of Cambridge, 1989. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.315022.
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Ray, Mark D. "Precision Lifetime Measurements in Molecular Hydrogen /." The Ohio State University, 1995. http://rave.ohiolink.edu/etdc/view?acc_num=osu1487931512617771.
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Eltaher, Hoda M. M. A. "Gradient delivery of bioactive molecules across porous hydrogels." Thesis, University of Nottingham, 2016. http://eprints.nottingham.ac.uk/31697/.
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Tissue regeneration approaches involve the recreation of biochemical and mechanical cues dictating tissue fate. Gradients of chemical cues are common in the natural microenvironment and are usually accompanied with gradual changes in cellular responses. Consequently, thorough understanding of biomolecule gradient development, their effective concentrations and the corresponding cellular responses as a function of time and space are essential for efficient design of scaffolds for biomedical applications. Here, we developed a compartmental diffusion model to study the development and measurement of biomolecule gradients. The model was validated to ensure effective spatiotemporal measurements of diffusing species within three-dimensional (3D) hydrogels. Results confirmed that the factors regulating the diffusing molecules’ behaviour in hydrogel matrices were dependant on the size of the diffusing species and the interaction with the matrix. The source compartment was subsequently replaced by polymeric particulate depots with tuneable characteristics to maintain structural protein stability and provide controlled temporal release of proteins and the diffusion through the hydrogel compartment was accordingly monitored. Glycosaminoglycan enhanced transduction (GET) technology was employed to study 3D gradient transduction of reporter protein in cell-laden hydrogels and to examine the effect of cells on the diffusion of biomolecules. Results demonstrated that cellular uptake of GET proteins altered the diffusion pattern as compared to acellular scaffolds and cells themselves acted as a sink that maintained steep GET protein gradients over the 5 mm wide scaffold. Furthermore, the synergistic combination of poly-arginine cell penetrating peptide (CPP) together with the cell membrane binding peptide using the GET technology demonstrated significant intracellular transduction in a gradient fashion in comparison to CPP alone. Employing GET technology and the compartmental diffusion model in the gradient delivery of the transcription factor MyoD to cell-laden hydrogels, resulted in directing the cells towards myogenic differentiation. However, the gradient pattern of differentiation was not clearly observed due to the limited number of genes examined. In conclusion, the model can be employed for the effective spatiotemporal gradient delivery of functional proteins to achieve the tissue complexity observed in the native tissues.
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Hunt, Maria. "Molecules in southern molecular clouds: a millimetre-wave study of dense cores." Thesis, View thesis View thesis, 2001. http://handle.uws.edu.au:8081/1959.7/116.
Full textAbstract:
This thesis presents an observational study of molecular abundances in the dense cores of 27 prominent molecular clouds in the southern galactic plane.The molecular abundances and physical conditions in dense condensations have been derived from millimetre-wavelength observations of molecular rotational transitions.The study has produced a comprehensive data set of transition intensities and abundances for 10 different molecules in bright southern molecular clouds, and the general characteristics of emissions from these molecules such as optical depth, excitation and relative abundances are discussed. A comparison of different methods of calculating molecular hydrogen column density from observations of carbon monoxide emission is included.Both the analysis and the data collected provide an excellent starting point for further observational and theoretical studies of molecular clouds in the southern Milky Way utilising new instruments such as the millimeter-wave upgrade to the Australia Telescope Compact Array and the Attacama Large Millimetre Array (ALMA).
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Chen, Guo Fu. "The diffusion of muonic hydrogen atoms in hydrogen gas." W&M ScholarWorks, 1990. https://scholarworks.wm.edu/etd/1539623790.
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This experiment measured the time distribution of muonic hydrogen atoms which were formed when negative muons were brought to rest in H{dollar}\sb2{dollar} gas, containing Au target foils, at five pressures (750 mbar, 375 mbar, 188 mbar, 94 mbar and 47 mbar at 4.6 mm foil spacing). A Monte Carlo method is applied for deducing the initial velocity distribution, and preliminary results are obtained. The initial velocity distribution of {dollar}\mu{dollar}H atoms is reasonably well described as a 'Maxwellian' velocity distribution with a mean energy E = 3.4 eV. The corresponding muon mean capture energy is obtained: E{dollar}\sb{lcub}\rm c{rcub}{dollar} {dollar}\approx{dollar} 34 eV for {dollar}\mu{dollar}H atom and E{dollar}\sb{lcub}\rm c{rcub}{dollar} {dollar}\approx{dollar} 68 eV for {dollar}\mu{dollar}H{dollar}\sb2{dollar} molecules. We also find the negative muon capture energy distribution is exponential.;In addition, a significant improvement of the negative muon mean life {dollar}\tau{dollar} in Au is abtained in this experiment.: {dollar}\tau\sb{lcub}\rm Au{rcub}{dollar} = 69.716 {dollar}\pm{dollar} 0.144 ns. The "full decay curve fitting method" which we use in this experiment has an advantage over the previous method in three aspects: (1) We have measured the mean life and determined the time resolution {dollar}\sigma{dollar}(E) of a detector at a particular energy level; (2) We have determined the effective zero time of the decay curve; (3) We have provided a possible way to measure the mean life {dollar}\tau{dollar} when {dollar}\tau{dollar} is less than the time resolution {dollar}\sigma{dollar}(E) of the detector ({dollar}\tau{dollar} {dollar}<{dollar} {dollar}\sigma{dollar}(E)).
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Mitchell, Erik Gordon. "Gas Phase Structures and Molecular Constants Of a Hydrogen Bonded Dimer and an Inorganic Molecule Determined Using Microwave Spectroscopy." Thesis, The University of Arizona, 2012. http://hdl.handle.net/10150/217091.
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Pulsed-beam Fourier transform microwave spectroscopy (PBFTMS) was used to determine the rotational structure of N-hydroxypyridine-2(1H)-thione. PBFTMS was also used to determine the rotational structure of a hydrogen dimer between propiolic acid and formic acid. Rotational constants and quadrupole coupling constants were determined. Calculations (MP2/DFT) were utilized in predicting the isotopic structures. Isotopic data (D, and ¹³C) and normal isotopomers collected were used in establishing of key structural parameters such as bond length and bond angles.
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Chrysostomou, Antonio. "Molecular hydrogen line emission from photodissociation regions." Thesis, University of Edinburgh, 1993. http://hdl.handle.net/1842/27794.
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The work presented in this thesis is dedicated to the study of the physical properties of photodissociation regions (PDRs), the surface layers of molecular clouds which are irradiated by ultraviolet radiation. The structure of PDRs is investigated with the development of an analytical model which incorporates the essential heating and cooling mechanisms in a PDR. The main parameters in the model are the density and the incident ultraviolet radiation field, above the ambient value in the solar neighbourhood, impinging on the surface (G0) which dissociates the molecules in the PDR. It is demonstrated that when the ratio (n/G0) is high (> 100 cm-3) the attenuation of ultraviolet photons is dominated by H2 self shielding which brings the HI/H2 transition zone close to the surface of the cloud (Av < 1). When the ratio is of order unity then the attenuation of ultraviolet photons is dominated by dust grains in the PDR. In this case, the HI/H2 transition zone occurs at a depth of Av ~ 2 - 3. Images of the PDR in the northern bar of M17 show that there is a spatial coincidence, accurate to ~ 1 arcsec, of the H2 and 3.28 μm emission regions (the 3.28 μm emission being a tracer of the hot edge of the PDR delineated by the HII/HI transition) placing a lower limit to the density in the clumps of 105 cm-3. This coincidence is also observed in other PDR sources (eg. NGC 2023) and can be readily explained if the sources are clumpy. It is not clear in the northern bar of M17, where G0 ~ 10^4, whether shielding by dust or H_2 molecules is dominating the attenuation of ultraviolet photons. A uniform, high density PDR model is sufficient to reproduce the observed H_2 line intensity, however the images clearly reveal structures at the 2 arcsec level suggesting that a clumpy model is a realistic solution.
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Tedds, Jonathan Andrew. "Shocked molecular hydrogen in the Orion "bullets"." Thesis, University of Edinburgh, 1997. http://hdl.handle.net/1842/27519.
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The physics of shocked outflows in molecular clouds is one of the fundamental astrophysical processes by which the cycle of star formation in our Galaxy is regulated. I outline the basis of our understanding of the star formation process and the violent outflow always associated with it, the physics of shocks in molecular gas, and the consequent excitation of molecular hydrogen (H2). It is demonstrated that molecular hydrogen is the best observational diagnostic of this hot, shocked molecular gas and an introduction is given to the observational techniques of near-infrared spectroscopy required in its measurement. I describe a detailed observational study of the physics of shocked H2 excitation and dynamics in the nearby massive star forming region of the Orion giant molecular cloud, the brightest source of its type, using the recently upgraded CGS4 near-IR spectrometer at UKIRT. We have demonstrated that integrated [FeII] 1.644μm line profiles in the Orion "bullets" are consistent with theoretical bow-shock predictions for two different "bullets". We have identified a uniform, broad background component pervading the region in both Fe+ and H2 which is inconsistent with a fluorescent component due to the ionizing radiation of the Trapezium stars alone. A collisionally broadened background component of unidentified origin is measured to be Gaussian in profile with an average FWHM of 26±2.5kms-1 in the H2 1-0 S(1) line after deconvolution of the instrument profile and a peak velocity of 2.5±0.5kms-1, close to the local ambient rest velocity. Crucially, the extended H2 "bullet" wakes have allowed us to dissect individual molecular bow shock structures but the broad (intrinsic FWHM≤27mks-1), singly-peaked H2 1-0 S(1) profiles observed in the two most clearly resolved, plane-of-sky oriented wakes challenge our present understanding. It is very difficult to reconcile any steady-state molecular bow shock model with these observations in Orion. To fit a single C shock absorber model to individual H2 profiles implies a magnetic field strength far in excess of observed estimates and is not consistent with the bow-shaped wake morphology.
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Theobald, James Andrew. "Self-assembly of hydrogen-bonded molecular traps." Thesis, University of Nottingham, 2004. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.416730.
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Gerst, Steven Gregory. "The deuterium content of atmospheric molecular hydrogen /." Thesis, Connect to this title online; UW restricted, 2000. http://hdl.handle.net/1773/11551.
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Undurti, Sainadh. "`Attoclock' experiments on atomic and molecular hydrogen." Thesis, Griffith University, 2018. http://hdl.handle.net/10072/381373.
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The current thesis aims at benchmarking strong- eld physics with the help of precision
measurements performed on the simplest atomic (H) and molecular (H2) systems.
The importance of H in validating strong- eld models is demonstrated through
the rst set of experimental data. It aims at calibrating the absolute Carrier-envelope
phase (CEP) of few-cycle laser pulses using H against complete ab initio solution of
the three dimensional time-dependent Schr odinger equation (3D-TDSE). Subsequent
set of measurements with noble gases against widely used strong- eld models based
on single-active electron (SAE) approximation, is shown to reveal a systematic o set
of 0:25 radians in tagging CEP, questioning the validity of such models.
The second experimental study forms the main result of this thesis, that attempts
to resolve the ongoing debate on tunnelling times (tunnelling delays in the context of
strong- eld physics). We address this by employing the `attoclock' technique with 6
fs pulses on H and validating the results against full numerical solutions of ab initio
3D-TDSE. The validated numerical codes are then used to arti cially screen the
parent ion-electron interaction, concluding that the tunnelling time 1.8 as.
The nal experimental results presented in this dissertation are the alignmentdependent
attoclock measurements using both few-cycle (7 fs) and multi-cycle (28 fs)
pulses on H2. The measured attoclock observable for various molecular orientations
(in laser polarisation frame) shows a strong modulation with a periodicity of .
Initial ab initio simulations for few-cycle pulses under the frozen-nuclei and SAE
approximations, fail to explain these observations. Further experimental studies with
H2/D2 (50:50 mixed gases) show no signi cant relative di erences among the attoclock
observables, suggesting a prominent role of the electron-electron correlations at play.
The ongoing study is believed to have far reaching implications in applications such
as studying molecular dissociation processes and tomography.Thesis (PhD Doctorate)
Doctor of Philosophy (PhD)
School of Environment and Sc
Science, Environment, Engineering and Technology
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Hughes, Dominic Wyndham. "The stereodynamics of photon-initiated bimolecular reactions." Thesis, University of Oxford, 1999. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.299816.
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Willis, Peter G. "DESIGNING MOLECULAR RECOGNITION IN THE CONTEXT OF HYDROGEN BONDING AND MOLECULAR DYNAMICS." UKnowledge, 2001. http://uknowledge.uky.edu/gradschool_diss/279.
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The effect of hydrogen bonding on the conformation of organic moleculesunifies two projects in this thesis. In one project, the stability of the intramolecularhydrogen bond in derivatives of 2-guanidinobenzimidazole was studied bydynamic 1H NMR spectrometry. The impact that this intramolecular hydrogenbond had on the bond order of the neutral guanidino group and on the dynamicconformation of these aromatic structures was related to the concept of hydrogenbond-assisted resonance. In another project, an oligomer possessing repetitiveconformation and capable of much inter- and intramolecular hydrogen bondingwas designed and synthesized. The sensitivity of this oligomer to changes inanion concentration, as well as its own propensity to self-aggregate weremeasured.Hydrogen bonds found in many biological oligomers are connected thougha system of conjugated bonds. Guanidinobenzimidazole is a conjugated systemof carbon and nitrogen, connected by an intramolecular hydrogen bond. Severalderivatives of guanidinobenzimidazole were synthesized, and the effect ofseveral simple alkyl for hydrogen substitutions were studied.Guanidinobenzimidazole was used as a model to study what effect theconjugation and the intramolecular hydrogen bond have on each other.The formation of redundant low energy hydrogen bonds is universal inbiological oligomers. In DNA and RNA multiple hydrogen bonds are formed witha typical energy contribution of only 1-2 kcal/mol. Individually, these interactionsdo not give the biological oligomers their conformational stability, but togetherthey are very stable. The urea and amide based oligomers designed in the workand discussed in the thesis should form multiple hydrogen bonds withthemselves and/or with anionic guests. Chiral oligoureas were designed topossess this characteristic of cooperative conformation that so many biologicaloligomers and polymers share.
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Cooper, James Neil. "Positron hydrogen molecule scattering." Thesis, University of Nottingham, 2009. http://eprints.nottingham.ac.uk/12240/.
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In this thesis, we present Kohn variational calculations of scattering and annihilation parameters for very low energy interactions of positrons with molecular hydrogen. Our analysis includes the first application of the Kohn method for this system in which the interelectronic potential in the molecular target is treated explicitly. All previous Kohn calculations on positron hydrogen molecule scattering have avoided this complication by the use of the method of models. The advantage of the explicit treatment over the method of models is that it allows approximate target wavefunctions of a very high accuracy to be admitted more easily to the Kohn calculations. We find that the accuracy of the approximate target wavefunction is an extremely important factor in obtaining reliable results from the calculations. We carry out an extensive investigation of anomalous, nonphysical behaviour in the results of our Kohn calculations. Our explanations of how these anomalies arise and how they may be avoided significantly improves upon the discussions of these phenomena given in earlier accounts of positron hydrogen molecule scattering calculations by other authors. As with all previous models of positron hydrogen molecule scattering, we find discrepancies between the experimental value of the annihilation parameter, Z effective, and the theoretical value of this quantity as determined from our Kohn calculations. Limitations of the model that could explain these discrepancies are discussed and suggestions for future improvements are proposed.
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Collins, Gilbert Wilson. "Magnetic resonance study of atomic excitations in solid molecular hydrogens /." The Ohio State University, 1989. http://rave.ohiolink.edu/etdc/view?acc_num=osu1487668215804998.
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Ozbas, Bulent. "Hydrogels constructed via self-assembly of beta-hairpin molecules." Access to citation, abstract and download form provided by ProQuest Information and Learning Company; downloadable PDF file 3.04 Mb., 225 p, 2006. http://gateway.proquest.com/openurl?url_ver=Z39.88-2004&res_dat=xri:pqdiss&rft_val_fmt=info:ofi/fmt:kev:mtx:dissertation&rft_dat=xri:pqdiss:3221086.
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Gerayeli, Faezeh. "Stimulated delivery of therapeutic molecules from hydrogels using ultrasound." Thesis, Université Grenoble Alpes (ComUE), 2017. http://www.theses.fr/2017GREAS019/document.
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Le doctorant n'a pas fourni de résumé en françaisThe research described in this thesis is directed to study an externally stimulated DDS that incorporates a hydrogel as the matrix for the therapeutic agent. The research does not investigate a particular site for the delivery of the therapeutic agent. However, the aim of this research program is to develop various hydrogel formulations with desirable characteristics and structures from which the drug release can be controlled with applied external energy in the form of low-frequency ultrasound. To accomplish this, two types of natural hydrogels from agarose and chitosan and one type of synthetic hydrogel from PVA were fabricated. Parameters that affect the structure were varied for each type of hydrogel in order to study the effect of structural changes on drug loading and release capacity of hydrogels. Next, the obtained hydrogels were assessed for the delivery of Theophylline as the model drug.Among the three types of hydrogels, chitosan was found to have the fastest swelling rates and the higher water uptakes while the least swelling was found with PVA hydrogels and then agarose hydrogels crosslinked at pH 12. Regarding the mechanical stability of hydrogels, the ranking of the elastic modulus was PVA hydrogels (highest), then agarose hydrogels and chitosan copolymers (lowest). It seemed that the more mechanically stable structure of the PVA hydrogels correlated with a reduced mobility of water, in comparison to the greater mobility of water in the mechanically weaker chitosan copolymers.The stimulated and passive release of Theophylline from those hydrogel carriers showed how ultrasound, as an external energy, stimulates and controls the release of the drug. The measurements confirmed that it is only the energy imparted by the longitudinal ultrasonic waves that act on the polymeric network. The mechanism by which the ultrasound affects the release is considered as a form of a ratchet motor. The polymer chains play the role of the “ratchet” steps and the ultrasonic waves accelerate the particle movement in the release media. Hence, once the ultrasound is applied, the particles descend chain-to-chain (i.e. step-by-step) driven down their concentration gradient by the applied energy until they reach the surface of the hydrogel and hence are released into the surrounding media.Increasing the ultrasound intensity vastly accelerates the drug release. Indeed a higher intensity equals a higher energy transferred from the ultrasonic waves to the drug particles, resulting in faster and less controlled release. This also depends on the type of drug carrier structure. If the hydrogel carrier is mechanically stable, such as the PVA samples or the agarose hydrogels crosslinked at pH 12, the effect of high ultrasound intensity is much less compared to a less mechanically stable carrier such as the chitosan blends. Ultrasound applied for a longer period of time increases the amount of drug released, with the consequent effect of increasing the amount of heat generated in the hydrogel. Generally, a longer duration of the applied energy results in a greater amount of energy absorption, and an increase in friction and heat generation. These effects are important considerations in relation to the heat sensitivity of the drug to be delivered and the thermal characteristics of the polymeric carrier.This PhD research has demonstrated that both natural and synthetic hydrogels coupled to an ultrasonic energy source provides a controllable DDS, which provide some novel outcomes and contributions to the body of knowledge in the field of controlled drug delivery
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Alikhani, Mohammad Esmaïl. "Etude par spectroscopie de diffusion raman du piegeage de trois especes isotopiques de dihydrogene en matrice de gaz rares et d'azote : interpretation theorique des perturbations spectrales observees dans les gaz rares." Paris 6, 1988. http://www.theses.fr/1988PA066015.
Full textAbstract:
Comparaison des positions des raies des especes monomeres (h::(2),hd::(1),d::(2)) piegees dans des gaz rares (ar,kr,xe) aux valeurs calculees selon plusieurs modeles plus ou moins elabores. Bon accord pour h::(2) et d::(2); necessite d'un terme de couplage rotation-translation pour expliquer le deplacement vers les hautes frequences de la raie s::(0)(0) de hd. Interpretation des spectres d'agregats, observes apres recuits, par un modele d'oscillateurs couples : bon accord avec l'experience pour un taux ortho/para variable de h::(2) et d::(2) pour un agregat contenant au moins cinq molecules
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Axelsson, Rikard. "Cyanobacterial Hydrogen Metabolism : Transcriptional Regulation of the Hydrogenases in Filamentous Strains." Doctoral thesis, Uppsala : Acta Universitatis Upsaliensis : Univ.-bibl. [distributör], 2003. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-3590.
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Galamba, Joseph. "Model of the One-Dimensional Molecular Hydrogen Cation." Oberlin College Honors Theses / OhioLINK, 2012. http://rave.ohiolink.edu/etdc/view?acc_num=oberlin1337904721.
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Nalbantoglu, Tugrul. "Towards a hydrogen bond mediated directional walker and light driven molecular shuttles." Thesis, University of Manchester, 2017. https://www.research.manchester.ac.uk/portal/en/theses/towards-a-hydrogen-bond-mediated-directional-walker-and-light-driven-molecular-shuttles(fb210b38-4079-4376-942e-b907a8f82d3f).html.
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This thesis reports the efforts towards the design and synthesis of a small molecule walker that would potentially move along the track directionally by exploiting the secondary interactions between the track and the walker. This thesis also reports the synthesis and operation of a light driven molecular shuttle featuring a novel acylpyridyl hydrazone station. Chapter One describes the biological walkers which are the source of inspiration towards the synthetic walkers, characteristics of a walker, previously described small molecule walkers and recent progress on the synthesis of molecular shuttles that operate under variety of different stimuli. Chapter Two describes the design and synthetic efforts towards a molecular walker that has the potential to operate directionally along the track by exploiting secondary interactions between the walker and the track namely the hydrogen bonding interactions introduced by subtle incorporation of excellent hydrogen bond donor/acceptor squaramides. This chapter briefly mentions the hydrogen bonding capabilities of squaramides on which the directional operation relies. Optimization of critical reactions and attempted strategies for the assembly of the whole machine is described as well. Chapter Three describes the synthesis and operation of 1- and 2- station [2]-rotaxanes that operate under light irradiation. 2- station [2]-rotaxane that function as a light driven molecular shuttle presents remarkable positional fidelity with high efficacy. The bistable acyl pyridyl station is incorporated as a photo active station upon which light irradiation alters the binding affinities towards the macrocycle. Series of rotaxanes featuring different amide based stations were synthesized to determine the best non-photo active station.