Dissertationen zum Thema „PAH dimers“
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Wang, Dong. „Making dimers of light-harvesting complexes from purple bacteria using copper–free click chemistry“. Thesis, Aix-Marseille, 2017. http://www.theses.fr/2017AIXM0062/document.
The light harvesting apparatus of photosynthetic bacteria absorb the energy from sunlight and transfer the energy with high efficiency to the reaction center, where it is captured for use by the cell. We know little about the details of energy transfer between different light-harvesting complexes. In this thesis I isolated several different types of light-harvesting complex from various stains of purple bacteria. 3D models were built, based on homology modeling, and possible dimer structures were examined. The cross linking sites in these protein shown the possiblity of forming biologically relevant dimer structures. I have developed a protocol to make dimers, from highly oligomeric light harvesting proteins. The protocol developed contains three main steps: first reaction of lysines in the complex at a very low degrees of reaction and purifying the labelled protein. Then coupling the reactive groups of dibenzylcyclootyne (DBCO) or of azide separately to the different complexes. Finally, the copper free strain promoted azide-alkyne cycloaddition reaction occurred to synthesize the dimer
Labarrière, Luc. „Spectroscopic properties of environmental relevant systems : 2’,3-dihydroxyflavone-ion complexes and polycyclic aromatic hydrocarbons : a joint experimental and theoretical study“. Electronic Thesis or Diss., Université de Lille (2022-....), 2022. http://www.theses.fr/2022ULILR069.
This manuscript reports the results of an experimental and theoretical study of two molecular systems of environmental interest: 2',3-dihydroxyflavone (2'3HF) and polycyclic aromatic hydrocarbons (PAH). These systems were studied by a combination of electronic spectroscopic techniques (absorption and fluorescence) and quantum chemical calculations (DFT and TD-DFT). In the first part of this thesis, it is shown that 2'3HF has singular acid-base properties compared to other flavonols. The decrease of the pKa by several units is attributed to the presence of a hydrogen-bond network. In the excited state, an intramolecular proton transfer causes a dual fluorescence. An additional emission band, seemingly originating from a tautomeric form perturbed by interaction with the solvent, was revealed. Finally, an exhaustive study of the Ca(II), Mn(II) and Zn(II) complexes showed the formation of chelates with the α-hydroxyketone function. In the second part, three structural hypotheses to explain the experimental observation of visible-range laser-induced fluorescence (LIF) were explored. A study of van der Waals (vdW) dimers of PAHs provided insights into the nature of the monomer interaction and highlighted the difficulty of modelling these systems. However, the calculated electronic transitions suggest that these species cannot be responsible for the LIF signals. Secondly, an identical study of aliphatically bridged PAHs showed very similar results to vdW dimers, ruling out their involvement in the observed fluorescence. Finally, the hypothesis of emission from PAH radicals was explored. The latter is very promising and opens the way for further experimental and theoretical studies
Colomban, Cédric. „Défluoration oxydante des aromatiques per- et polyfluorés catalysée par des complexes binucléaires à fer hémiques“. Thesis, Lyon 1, 2014. http://www.theses.fr/2014LYO10254/document.
Oxidations of strong C-H and transformation of carbon-halogen bonds under mild conditions are especially difficult and challenging reactions. This reactivity can be achieved in Nature through iron metalloenzymes. In order to reproduce the efficient chemistry found in Nature, we develop bio-inspired diiron macrocyclic catalysts combining the structural features of two the most powerful monooxygenases: cytochrome P450 and soluble methane monooxygenase. Diiron catalysts where two iron atoms are bridged by μ-nitrido group and stabilized by macrocyclic supporting ligands can activate peroxides such as H2O2 for the most challenging oxidations reactions (methane, benzene, dichloromethane) under mild and practical conditions. This thesis is focused on the use of these bio inspired systems for the previously unknown oxidative transformation of the aromatic C-F bonds. This novel approach to the activation of C-F bonds can be used for the mineralization of notorious pollutants: the halogenated aromatics. We (i) described the reactivity of phthalocyanine and porphyrin complexes and (ii) studied the mechanism to (iii) understand and explain the key parameters which gouverns the catalytic efficiency. We had reported the first system able to transform aromatic C-F bonds onto C-OH bonds under mild conditions. Based on mechanistic studies, an epoxidation mechanism mediated by diiron-oxo species has been proposed. We have studied the influence of the bridging atom on the structure and the catalytic efficiency of the catalysts using both spectroscopic and theoretical methods. Finally, the effect of the macrocyclic ligand on molecular geometry and electronic structure of the complexes have been described through the synthesis, the characterization and the comparison of diiron complexes based on porphyrazine, porphyrin or phthalocyanine ligands
Rose, Clémence. „De la synthèse de porphyrines fonctionnalisées par des sels d'imidazolium à la formation de dimères de porphyrines cofaciales assemblées par des liaisons métal-carbène“. Thesis, Montpellier, 2019. http://www.theses.fr/2019MONTS083.
This PhD work is devoted to the synthesis of porphyrins functionalized in meso positions with one or four imidazolium rings. First of all, these compounds have been tested as photosensitizers for in vitro studies for photodynamic therapy (PDT) applications on breast cancer cells MCF-7. Regarding to the efficiency of some of them in PDT, chlorine-based compounds functionalized with an imidazole/imidazolium ring have also been synthesized through hemi-synthetic pathway, with spirulina-extracted chlorophyll a as precursor. Then, porphyrins functionalized in meso positions with four imidazolium rings have been used as precursors of N-heterocyclic carbenes (NHC) ligands for the synthesis of cofacial porphyrin dimers assembled by M-CNHC bonds. The modularity of these assemblies has been explored by modifying assembling metal cations (M = AgI, AuI), organic spacers between porphyrins and NHCs or the nature of the intern metal M’ located in the porphyrin cores of the dimer (M’ = 2H, ZnII, CoII/III). Electronic and biological properties of these dimers have been investigated. Preliminary results have also been obtained in the field of host-guest chemistry (encapsulation of small molecules) and in electrocatalysis for the O2 reduction reaction (ORR)
Laslier, Benoît. „Dynamique stochastique d'interface discrète et modèles de dimères“. Phd thesis, Université Claude Bernard - Lyon I, 2014. http://tel.archives-ouvertes.fr/tel-01044463.
Laslier, Benoît. „Dynamique stochastique d’interface discrète et modèles de dimères“. Thesis, Lyon 1, 2014. http://www.theses.fr/2014LYO10110/document.
We studied the Glauber dynamics on tilings of finite regions of the plane by lozenges or 2 × 1 dominoes. These tilings are naturally associated with surfaces of R^3, which can be seen as interfaces in statistical physics models. In particular, lozenge tilings correspond to three dimensional Ising model at zero temperature. More precisely, tilings of a finite regions are in bijection with Ising configurations with some boundary conditions (depending on the tiled domain). These boundary conditions impose the coexistence of the + and - phases, together with the position of the boundary of the interface. In the thermodynamic limit where L, the characteristic length of the system, tends toward infinity, these interface follow a law of large number and converge to a deterministic limit shape depending only on the boundary condition. When the limit shape is planar and for lozenge tilings, Caputo, Martinelli and Toninelli [CMT12] showed that the mixing time of the dynamics is of order (L^{2+o(1)}) (diffusive scaling). We generalized this result to domino tilings, always in the case of a planar limit shape. We also proved a lower bound Tmix ≥ cL^2 which improve on the result of [CMT12] by a log factor. When the limit shape is not planar, it can either be analytic or have some “frozen” domains where it is degenerated in a sense. When it does not have such frozen region, and for lozenge tilings, we showed that the Glauber dynamics becomes “macroscopically close” to equilibrium in a time L^{2+o(1)}
Costalat, Robert. „Photophysique de l'induction de dimères de thymine par des psoralènes“. Paris 13, 1988. http://www.theses.fr/1988PA13A001.
LIBOSSART, SABINE. „Etude de la fibrinolyse chez les sujets normaux et dans les etats thromboemboliques. Interet du dosage de d. Dimeres liberes par lyse spontanee d'un caillot plasmatique“. Lille 2, 1993. http://www.theses.fr/1993LIL2P006.
De, Crozals Gabriel. „Multi-fonctionnalisation par synthèse supportée de nanoparticules de silice pour des applications biomédicales“. Thesis, Lyon 1, 2015. http://www.theses.fr/2015LYO10264.
Nanomaterials combining targeting, imaging, therapy and sensing properties are of growing interest for biomedical applications. The work reported in this thesis concerns nanoparticle (NP) multifunctionalization by solid phase synthesis. The solid support developed in this study is composed of a porous glass material on which silica NPs are temporarily grafted. Nanoparticle surface functionalization was performed by automated synthesis using phosphoramidite chemistry. Firstly, high surface loadings from 5000 to 7000 oligonucleotides per NP were achieved, representing a functionalization 10 to 20‐fold greater than those obtained by coupling methods in solution. DNA strands synthesized on NPs showed a good accessibility for hybridization with a complementary DNA strand, paving the way for therapeutic applications or integration of these objects in detection systems. The second part of this work was devoted to the vectorization of a therapeutic protein, GCSF (Granulocyte‐Colony Stimulating Factor) by nanoparticles that also exhibited imaging properties. These therapeutic nanocarriers showed cell stimulating properties in vitro and spleen targeting, which is a reservoir of neutrophils, in vivo. Finally, it was demonstrated that the solid phase modification of NPs opens interesting perspectives for the production of complex nanoparticle assemblies (dimers and asymmetric NPs)
Danset, Delphine. „Etude des premières étapes réactionnelles de l'oxydation du cobalt mono- et diatomique par l'oxygène moléculaire par isolation en matrice de gaz rare et spectroscopies d'absorption électronique et vibrationnelle“. Paris 6, 2004. http://www.theses.fr/2004PA066075.
Doumazane, Etienne. „Etude de la dimérisation et de la dynamique structurale des mGluR par la technologie trFRET : de nouvelles pistes pour de nouveaux médicaments“. Thesis, Montpellier 1, 2011. http://www.theses.fr/2011MON1T007.
Metabotropic glutamate receptors (mGluRs) are G protein-coupled receptors that regulate synaptic transmission. They are relevant therapeutic targets for neurological and psychiatric disorders, such as Parkinson disease and schizophrenia.I developed a strategy to study the multimeric assembly of membrane proteins in living cells, through a combination of orthogonal labeling and time-resolved FRET. Unexpectedly, some subunits of mGluRs, in addition to forming homodimeric receptors, were found capable of forming functional heterodimeric receptors. Then, I applied these techniques to study the activation mechanism of mGluRs and their allosteric regulation. I demonstrated that a conformational change of the dimeric extracellular domain is responsible for the action of glutamate.In addition to increase our understandings of how mGluRs function, this work opens new avenues for the design of drug screening tests
Salami, Houssam. „Étude des spectres électroniques et courbes de potentiel de dimères alcalins hétéronucléaires“. Phd thesis, Université Claude Bernard - Lyon I, 2007. http://tel.archives-ouvertes.fr/tel-00382009.
Sun, Xuhong. „Étude des facteurs de l'hémostase après thrombolyse par le rT-PA dans l'infractus cérébral aigu : corrélations cliniques et étiologiques“. Thesis, Lyon 1, 2015. http://www.theses.fr/2015LYO10110/document.
A systematic study of post-thrombolytic haemostasis has rarely been performed. In 80 consecutive patients, we have prospectively studied at hours 0, 2 and 24 the following parameters: fibrinogen, plasminogen, alpha2-antiplasmin, factor XIII, fibrin(ogen) Degradation Products (FDP), D-dimers, haematocrit and platelet count. Comprehensive statistical studies calculated correlations of the haemostatic values betwen themselves and with 38 etiological and clinical parameters. Molecular dynamics. Two changes between h0 and h2 were statistically independent: an increase in FDP and D-Dimers; a decrease in fibrinogen, plasminogen, alpha2-antiplasmin and factor XIII. At h2, the decrease in fibrinogen was significantly correlated with that of plasminogen (0.48, p = 0.01), alpha2-antiplasmin (0.48, p = 0.004), and factor XIII (0.44, p = 0.01). The decrease in plasminogen was significantly correlated with those of antifibrinolytic components, alpha2-antiplasmin (r=0.77, p<0.001) and factor XIII (0.47, p=0.02). To our knowledge, such an activation of antifibrinolytic components had not hitherto been mentioned. The h2 decrease of plasminogen was correlated with cardioembolic etiology (p=0.04) and final poor oucome (p=0.03), a fact possibly due to intense thrombolysis of large clots. Patients having early parenchymal hematomas (PH) showed h2 haemostasis disturbances: high FDP (p=0.01), and low fibrinogen (p=0.01). The decrease in fibrinogen less than 2g/L multiplies the odds of early PH by a factor 12.82. Thus, we confirm the model of an “early fibrinogen degradation coagulopathy” predictive of hematomas, which had been coined by the Lyon thrombolysis team in 2004
Bonnet, Pascal. „Etude par modélisation moléculaire de dimères de cyclodextrines et de leurs complexes d'inclusion“. Doctoral thesis, Universitat Autònoma de Barcelona, 2001. http://hdl.handle.net/10803/3114.
En este trabajo, estudiamos la preferencia de la orientación que adopten dos moléculas de CD con la finalidad de comprender las interacciones intermoleculares responsables. La agregación preferencial de dímeros de a-, b- y g-CD en ausencia de disolvente se estudió en primer lugar considerando las tres orientaciones más probables Head-Head, Head-Tail y Tail-Tail. En segundo lugar, se procedió al estudio de los mismos dímeros en un medio similar al biológico, es decir en presencia de moléculas de agua, para averiguar la orientación preferencial en disolución gracias a los resultados de los cálculos de energía de interacción y de las interacciones responsables de sus formaciones.
Una vez realizado este estudio, pasamos al estudio teórico del complejo supramolecular de esteoquimetría 2:1, formado por un dímero g-CD con el fullereno (C60) para averiguar las fuerzas responsables que favorecen la formación de este complejo en medio acuoso cambiando el campo de fuerza.
Finalmente, estudiamos por modelización molecular la separación de los enantiómeros de la benzoina utilizados en electroforesis capilar. Los disolventes quirales utilizando teórica y experimentalmente fueron ciclodextrinas aniónicas (mono y tetrasulfobutiléter-b- CD) y neutras permetil-b- CD). Se estudiaron las posibles agrupaciones y estequiometrías (1:1 y 2:1) de los complejos para racionalizar las enantiodiferenciación, en base a la energía de interacción entre la benzoina y las ciclodextrinas.
Todos los cálculos se llevaron a cabo mediante los programas de modelización molecular AMBER, Macromodel y MM3, en los supercomputadores del Centro de Supercomputación de Catalunya (CESCA).
Cyclodextrins are cyclic oligomers of several a-D-glucopyranose units .The toroidal macrocyclic shape defines two clear spatial regions, a hydrophilic external wall and a hydrophobic cavity. They are well known to act as hosts in supramolecular chemistry having the capability to form inclusión complexes with a large variety of organic molecules (the guest), generally with a 1:1 stoichiometry between host and guest. Nevertheless, complexes formed with large guests usually have 2:1 stoichiometries.
Our work has been carried out to detemine the preferential orientation of the cyclodextrin dimers and to understand the responsible intermolecular interactions. The preferential aggregation of two a-, b- and g-cyclodextrin molecules in the absence fo solvent have been studied in a first part, considering the three most likely orientations: Head-Head, Head-Tail and Tail-Tail. In a second part, the cyclodextrin dimers have been studied using water as explicit solvent with the aim of determing their preferential orientation in water solution by studying the binding energy and the interactions responsible for their informations.
As one 2:1 complex, the supramolecular complexation of the fullerene C60 in a g-cyclodextrin dimer has been studied. The force field for the fullerene has been changed to correctly consider its intramolecular interactions.
Also, thanks to some experimental results of capillary electrophoresis, we have reproduced and analysed the enantiodifferenciation of an inclusion complex formed by different cyclodextrin dimers and one chiral molecule: the benzoine. Different stoichiometries, different derived cyclodextrins (as permethyl-b-cyclodextrin, monosulfated-b-cyclodextrin and tetrasulfatedb-cyclodextrin), and different orientations of the complex (as Head-Head and Head-Tail) have been studied. Moreover, in each case the two posible orientations of the benzoine incide the cyclodextrin cavity were also considered.
All of the simulations have been carried out on using MM3, MacroModel and AMBER force fields in the Supercomputing Center of Catalonia (CESCA).
Denis, Philippe. „Activation catalytique des diènes-1,3 et des oléfines par des complexes du nickel chélatés par des amino et aminophosphine-phosphinites optiquement activés : applications aux réactions de di et codimérisation“. Lille 1, 1985. http://www.theses.fr/1985LIL10024.
Aller, Pierre. „Etude du domaine transmembranaire de récepteur tyrosine kinase dans un environnement membranaire : aspects structuraux et mécanistiques explorés par dynamique moléculaire“. Orléans, 2004. http://www.theses.fr/2004ORLE2034.
Alamäki, M. (Markku). „Experimental dimer-monomer ³He NMR shift inside C₆₀ explained from first principles by Path Integral Monte Carlo modelling“. Master's thesis, University of Oulu, 2019. http://jultika.oulu.fi/Record/nbnfioulu-201906202601.
Aci, Samia. „Etude par simulation de dynamique moléculaire de la variabilité conformationnelle du dimère de la séquence SL1 du génome de VIH-1“. Orléans, 2004. https://tel.archives-ouvertes.fr/tel-00008151v3.
Cérède, Odile. „Etudes des mécanismes moléculaires de l'invasion des cellules hotes par Toxoplasma gondii : rôle des protéines de micronèmes“. Tours, 2006. http://www.theses.fr/2003TOUR3804.
Cell invasion by apicomplexan is associated ith secretion of microneme proteins. We have investigated the role of two soluble MIC1 and MIC3 proteins, which have affinity for cell surface. We have developped an original MIC3 binding essay by transfection of mammalian cells. The receptor binding site of MIC3 is located in the N-terminal chitin binding-like domain, which remains poorly accessible until the adjacent propetide has been cleaved, and shown that binding requires dimerization. Two aromatic amino acids in this domain have been identified to be crucial for binding to cells. Mic1KO, mic1-3KO or mic1-3KO parasites have been genetically engineered. While individual disruption of MIC1 or MIC3 genes slightly reduced virulence, doubly depleted parasites were markedly impaired in virulence and confered protection against oral cyst challenge. Deletion of the MIC1 gene alone affected fibroblast invasion. MIC3 binding function is crucial for expression of virulence
Lampre, Isabelle. „Propriétés photophysiques de dimères formés par des sels de triarylpyrylium : étude expérimentale et théorique“. Paris 11, 1996. http://www.theses.fr/1996PA112504.
Mokrini, Hassan. „Activation et fonctionnalisation d'hydrocarbures saturés et aromatiques catalysés par des complexes du rhodium“. Lille 1, 1990. http://www.theses.fr/1990LIL10069.
Iordache, Adriana. „Activation par transfert d'électron : applications aux systèmes commutables et à l'ingénierie moléculaire“. Phd thesis, Grenoble, 2010. http://www.theses.fr/2010GRENV056.
One of the most important key to the development of nanosciences lies in our ability to monitor, modify or control nanometric materials. The addition or removal of electrons to or from given molecular objects can find useful applications in numerous arena of nanosciences: as signal transcription of interactions processes, as impulse to trigger conformational, configurational or directional mechanical changes at the molecular level or even as a way to control and activate the reactivity of molecular building blocks in organic synthesis. This work deals with two complementary processes associated to electron transfer: molecular movements in switchable architectures and activation of molecular building blocks to form conjugated macrocyclic structures The first part of this research work is devoted to the synthesis of porphyrin-based molecular tweezers and of ferrocene-based molecular pivots. The dynamic properties of these switchable molecular objects; relying on reversible π-dimerization processes, have been investigated by spectroscopic, electrochemical and spectroelectrochemical methods. In the second part of this manuscript we show few examples of electrochemically driven synthetic procedures for preparation of expanded porphyrins. Unlike chemical oxidants, which must often be tested empirically for a given transformation, under electrochemical conditions, one has the opportunity to tune the reactivity of the pyrrole-based reagent via the choice of anodic voltage. We especially established that the use of bipyrrole allows for the clean and high-yield production of cyclo[8]pyrrole; the requisite electrochemically-induced cyclization of four bipyrrole building blocks likely involving an electrolyte-based templating effect. The success of this approach leads us to propose that analogous electrochemical oxidation processes could be used to generate a range of new expanded porphyrin products
ACI, Samia. „ETUDE PAR SIMULATION DE DYNAMIQUE MOLECULAIRE DE LA VARIABILITE CONFORMATIONNELLE DU DIMERE DE LA SEQUENCE SL1 DU GENOME DE VIH-1“. Phd thesis, Université d'Orléans, 2004. http://tel.archives-ouvertes.fr/tel-00008151.
RAHAL, HASNA. „Syntheses de derives biphenyles et de dimeres acridino-biphenyles : etudes biologiques, etudes structurales par radiocristallographie et modelisation moleculaire de composes temoins“. Aix-Marseille 2, 1991. http://www.theses.fr/1991AIX22953.
Aouf, Chahinez. „Utilisation en synthèse organique de bis-allylsilanes obtenus par dimérisation réductrice de 1,3-diènes“. Aix-Marseille 3, 2007. http://www.theses.fr/2007AIX30054.
The aim of this work is the valorisation of synthetic potentialities of different diallylsilanes obtained by the reductive action of lithium over dienic and trienic hydrocarbons. If the reductive dimerisation of isoprene leads to a mixture of isomers in which the 1,8-bis(trimethylsilyl)-2,7-dimethyl-octa-2,6-diene is most prominent, the ,3-dimethyl-butadiene one gives rise the (E,E)-1,8-bis(trimethylsilyl)-2,3,6,7-tetramethyl-octa-2,6-diene. Its structure determination has been confirmed by X-ray crystallographic analysis. Then, we have studied the reactivity of disilylated monomers towards different electrophilic compounds. We have observed certain particularities like the formation of 4-hydroxy-6-trimethylsilyl-hexen-2-ones which result from acylation of 1,4-bis(trimethylsilyl)-but-2-enes. Confronted with electrophilic compounds, the disilylated dimmers allow predominantly to the stereoselectives dialkylated products. The tricyclic derivatives are formed in the case of 4,4’(trimethylsilyl)-bicyclohexyl-2,2’-diene and the cyclopentanols with meso configuration are observed when the 1,8-bis(trimethylsilyl)-2,3,6,7-tetramethyl-octa-2,6-diene is employed. In the last part, we have shown that the 1,1-bi[(S*,S*)-6-(trimethylsilyl)-cyclohepta-2,4-diene-1-yl] resulting from reductive disilylation of cycloheptatriene is involved in formal [4+4] supra-supra cycloaddition catalysed by titanium tetrachloride
Crozet, Patrick. „Exploration laser à haute résolution : fluorescence induite par laser de dimères alcalins observée par spectrométrie de Fourier, et mécanismes réactionnels intervenant dans les lasers chimiques“. Lyon 1, 1988. http://www.theses.fr/1988LYO10018.
Pellier-Catherineau, Virginie. „Réparation des lésions induites par les rayonnements UVB dans des mélanocytes humains normaux et transformés : Implication du protéasome et de la poly(ADP-ribose) polymérase“. Aix-Marseille 2, 2002. http://www.theses.fr/2002AIX22045.
DKHISSI, AHMED. „Etude du dimere (no)#2 par spectroscopie irtf a haute resolution et application de la theorie de la fonctionnelle de la densite a l'etude de complexes par liaison hydrogene“. Paris 11, 1996. http://www.theses.fr/1996PA112227.
Aloïse, Stéphane. „Processus d'ionisation en couche externe d'atomes de gaz rare étudiés par combinaison d'un rayonnement synchrotron et d'un laser“. Lyon 1, 2002. http://www.theses.fr/2002LYO10234.
Iordache, Adriana. „Activation par transfert d'électron : applications aux systèmes commutables et à l'ingénierie moléculaire“. Phd thesis, Grenoble, 2010. http://tel.archives-ouvertes.fr/tel-00553066.
Le, Bolzer Hélène Trossaërt Marc. „Intérêt du suivi des D-dimères pour le diagnostic de thrombose au cours du traitement par L-asparaginase des LAL de l'enfant“. [S.l.] : [s.n.], 2004. http://theses.univ-nantes.fr/thesemed/PHlebolzerh.pdf.
Dextraze, Marie-Eve. „Radiosensibilisation de l'ADN par le 5-bromodéoxyuridine l'importance de la structure et de la séquence de l'ADN“. Thèse, Université de Sherbrooke, 2010. http://savoirs.usherbrooke.ca/handle/11143/4313.
Graciun, Steliana. „Transfert de proton par effet tunnel dans des cristaux à liaison hydrogène : étude par spectroscopie optique des dimères d'acide benzoïque et de la molécule d'acétylacétone“. Université Joseph Fourier (Grenoble), 1999. http://www.theses.fr/1999GRE10259.
Crozet, Patrick. „Exploration laser à haute résolution fluorescence induite par laser de dimères alcalins observée par spectrométrie de Fourier, et mécanismes réactionnels intervenant dans les lasers chimiques /“. Grenoble 2 : ANRT, 1988. http://catalogue.bnf.fr/ark:/12148/cb37612828n.
Girard, Frédéric. „Etude par RMN de la structure des dimères de la séquence d'ARN SL1-23mer initiant la dimérisation chez VIH-1Lai“. Orléans, 2000. http://www.theses.fr/2000ORLE2041.
La, Madeleine Carole. „Utilisation de l'essai comète et du biomarqueur [gamma]-H2AX pour détecter les dommages induits à l'ADN cellulaire par le 5-bromodéoxyuridine post-irradiation“. Mémoire, Université de Sherbrooke, 2009. http://savoirs.usherbrooke.ca/handle/11143/4021.
Marzouk, Elmaalaoui Asma. „Étude de la réduction de N2O par le mono- et dimère de titane à l'échelle moléculaire : Étude combinée expérimentale par la technique d'isolation en matrice de néon-FTIR et la chimie quantique“. Thesis, Paris 6, 2014. http://www.theses.fr/2014PA066001/document.
From the spectroscopic study of the Ti, Ti2 + N2O reaction products trapped in rare gas matrices, we were able to identify three products for the reaction Ti + N2O (a simple van der Waals adduct, an end-on complex and a side-on molecule), and two for the 3Ti2 + N2O = 1[OTi2(η1 - NN)] or 1[OTiNTiN] reaction. We showed that the atomic titanium is unreactive with respect to N2O in its ground state, while the titanium dimer spontaneously reacts with N2O leading to the N-O bond scission and yielding to an intermediate adduct 1[OTi2(η1 - NN)]. A second bond breaking, the N-N bond cleavage, could be achieved by means of photochemistry, leading to the final product 1[OTiNTiN]. Over all the available functionals, none of them has been shown to systematically overshadow all the others. However, difficulties lie in choosing, from the plethora of density functionals, the one to apply. The selection of the functional to use depends on the problem at hand, i.e., on both the dispersion and static correlations. In this thesis, a strategy has been suggested in order to select the most adequate functional. It consists of a validation of calculation method for a given system by reproducing a set of reference data, obtained either by experiment or at the CCSD(T) or CASPT2 levels on the structural, energetic and vibrational properties
vanhaecke, nicolas. „Molécules froides: formation, piégeage et spectroscopie. -Accumulation de dimères de césium dans un piège quadrupolaire magnétique. -Spectroscopie par frustration de photoassociation“. Phd thesis, Ecole Polytechnique X, 2003. http://tel.archives-ouvertes.fr/tel-00004296.
Un piège quadrupolaire magnétique de 2.10^5 molécules Cs2 froides a été réalisé. Le temps de vie du piège moléculaire est de 600ms, limité par les collisions avec le gaz chaud résiduel. Les molécules piégées ont été caractérisées, ce qui a permis de déterminer la température du nuage de molécules piégé, de l'ordre de 35uK. La mise en place d'un piège dipolaire, réalisé au moyen d'un laser CO2 focalisé est également décrit.
D'autre part, une spectroscopie de photoassociation à deux photons a été réalisée. Elle a permis l'étude originale des formes de raies de cette spectroscopie, présentant de typiques profils de Fano. Grâce à la connaissance précise de ces formes de raies, plus d'une centaine d'énergies de niveaux vibrationnellement très excités de la molécules de Cs2 sont mesurés, avec une précision de l'ordre de 10MHz. Lors de l'interprétation théorique, l'énorme structure hyperfine de l'atome de césium implique la résolution d'équation de Schrödinger couplées pour des distances internucléaires supérieures à 15a0. Un modèle théorique asymptotique est donc utilisé pour ajuster les paramètres moléculaires des potentiels fondamentaux de la molécules de Cs2.
Les ajustements de ces paramètres se font au moyen d'algorithmes évolutionnaires et déterministes et sont suivis d'une étude statistique approfondie. On détermine ainsi le coefficient de Van der Waals avec une excellente précision, ainsi que pour la première fois l'amplitude de l'interaction d'échange de manière expérimentale.
Tranier, Samuel. „Etude en solution de la protéine TorD de Shewanella massilia et détermination de la structure tridimensionnelle du dimère, par la méthode MAD“. Paris 11, 2003. http://www.theses.fr/2003PA112018.
Several bacteria use trimethylamine N-oxyde (TMAO) as an exogenous electron acceptor for anaerobic respiration. This metabolic pathway involves expression of the tor operon that codes for a periplasmic molybdopterin-containing reductase of the DMSO/TMAO family (TorA), a pentahemic c-type cytochrome (TorC) and the TorD cytoplasmic chaperone required for acquisition of the molybdenum cofactor and translocation of the reductase by the twin-arginine translocation system. In this work, we show that the TorD chaperone from Shewanella massilia forms multiple and stable oligomeric species. The monomeric, dimeric and trimeric forms were purified to homogenity and characterized in solution. Small-angle X-ray scattering (SAXS) and crystallographic data indicate that the TorD dimer is made of identical protein modules of similar size to the monomeric species. The X-ray structure at 2. 4 A resolution of the TorD dimer reveals extreme domain swapping between the two subunits where the N-terminal part of a protomer interacts with the C-terminal part of the other protomer. Interconversion of the native oligomeric forms occurred at acidic pH value. In this condition, the protein is in a non native conformation containing a fraction of alpha-helices similar to that of the native species. It has also been shown that both the monomeric and the dimeric species bind the mature TorA enzyme, but that the dimer binds its target protein more efficiently. The TorD dimer shows no similarity with known protein structures. According to sequence similarities, this new fold probably represents the architecture of the chaperones associated to the bacterial DMSO/TMAO reductases and also that of identified proteins of Jet unknown functions
Oddos-Marcel, Lionel. „Etude des états électroniques et de la dynamique de relaxation d'un dimère de phtalocyanine de silicium“. Université Joseph Fourier (Grenoble), 1998. http://www.theses.fr/1998GRE10121.
Onofrio, Nicolas. „Modélisation de l'interaction d'échange par théorie de la fonctionnelle de la densité couplée au formalisme de la symétrie brisée. Application aux dimères de cuivre“. Phd thesis, Université de Grenoble, 2011. http://tel.archives-ouvertes.fr/tel-00685279.
Rochette, Patrick. „Cartographie des dimères cyclobutyliques de pyrimidines (DCP) induits par les UVA et étude des effets de certains gènes de réparation des mésappariements et du gène P53 muté sur la réparation par excision de nucléotides des DCP“. Thesis, Université Laval, 2005. http://www.theses.ulaval.ca/2005/22519/22519.pdf.
Inscrit au Tableau d'honneur de la Faculté des études supérieures
Elmaalaoui, Asma. „Étude de la réduction de N2O par le mono- et dimère de titane à l'échelle moléculaire : Étude combinée expérimentale par la technique d'isolation en matrice de néon-FTIR et la chimie quantique“. Phd thesis, Université Pierre et Marie Curie - Paris VI, 2014. http://tel.archives-ouvertes.fr/tel-00945661.
Ottou, Abe Martin Thierry. „Étude par simulation de dynamique moléculaire de la structure et de la mobilité moléculaire de matériaux complexes d’intérêt thérapeutique“. Thesis, Lille 1, 2014. http://www.theses.fr/2014LIL10042/document.
Molecular glass-formers usually exhibit complex mobility including multiple non-simple exponential (non-Debye) relaxation processes as observed from dielectric relaxation spectroscopy. However, a Debye relaxation type is observed in several primary alcohols and amides, and is characterized by a low frequency contribution of very large amplitude and symmetrical shape. It is still very poorly understood because it is about 90% of the dielectric response and seems not yet coupled to the viscosity η (ω) or the complex specific heat C (ω). This very peculiar Debye relaxation has been recently identified in several pharmaceutical compounds of the profens family. By means of molecular dynamics simulations, we have conducted an investigation of physical properties of the three molecular compounds of the profens family (ibuprofen, flurbiprofen and ketoprofen) in the liquid state in order to analyze their organizations, their molecular mobilities and to clarify the origin of the Debye relaxation. We have shown that the Debye process observed experimentally originates extremely slow movements of very polar carboxyl groups in the molecular environments with rapidly relaxing: an internal conversion of the O=C-O-H groups between two conformations of equilibrium coupled to changes of the network of intermolecular hydrogen bonding. The dominant organization in the liquid is found to be composed of small hydrogen bonding aggregates corresponding to associations in cyclic dimers precursors of the crystalline order. The influence of a situation of confinement on molecular mobility has also been explored in relation with of the recent studies of dielectric spectroscopy
Touma, Marwan. „Nouvelles reactions d'oligomerisation et de telomerisation selectives catalysees par des complexes cationiques du palladium“. Toulouse 3, 1986. http://www.theses.fr/1986TOU30139.
Therrien, Jean-Philippe. „Photocarcinogenèse, distribution des dimères cyclobutyliques de pyrimidines à l'ADN après irradiation aux UV et rôle de p53, pRb et p21waf1 dans leur réparation par excision de nucléotides“. Thesis, National Library of Canada = Bibliothèque nationale du Canada, 2000. http://www.collectionscanada.ca/obj/s4/f2/dsk1/tape2/PQDD_0015/NQ54033.pdf.
Toussaint, Martin. „Analyse de l'influence de la chromatine et de l'hétérochromatine dans la réparation des dommages créés par les rayons UV dans l'ADN chez la levure Saccharomyces cerevisiae“. Thèse, Université de Sherbrooke, 2010. http://savoirs.usherbrooke.ca/handle/11143/4286.
BUFFNOIR, STEPHANE. „Synthese et marquage de flavonoides mettant en jeu la chimie organometallique - synthese de la prenylcatechine et acces aux dimeres de flavonoides - activation du couplage de stille par l'ion fluorure - marquages de la catechine et de l'epicatechine“. Paris 6, 1998. http://www.theses.fr/1998PA066050.
Lefloch, Fabien. „Contribution à la synthèse et à l'étude de nouveaux polyfluorènes obtenus par oxydation anodique d'oligofluorènes, de dimère et trimère (edot-fluorenylidene) et de fluorènes contenant des entités métalliques“. Rennes 1, 2003. http://www.theses.fr/2003REN10096.
Tétaz, Franck. „Action d'enzymes bactériennes isolées à partir d'un pseudomonas sur des modèles de la lignine de sous-structure [bêta]-O-4 et des préparations de lignines de "bois explosé" : approche par résonance magnétique nucléaire“. Grenoble 1, 1988. http://www.theses.fr/1988GRE10052.