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Dissertations / Theses on the topic 'Densité de chiralité'

Author: Grafiati
Published: 25 May 2024

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1

Schneider, Nathanaëlle. "N-heterocyclic carbenes with an oxazoline unit : Synthesis, coordination chemistry and application in asymmetric catalysis." Strasbourg 1, 2008. http://www.theses.fr/2008STR13057.

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Le succès d’un catalyseur asymétrique n’est possible que si son ligand chiral est judicieusement conçu. La combinaison d’un carbène N-hétérocyclique avec un cycle oxazoline s’avère particulièrement prometteuse. Une nouvelle famille de sels d’imidazolium, où ces deux hétérocycles sont liés par un pont (diméthyl)méthylène a été générée. Les précurseurs imidazoliums sont obtenus par réaction d’un dérivé bromé avec un imidazole portant un cycle oxazoline. Sept différents précurseurs de carbènes ont pu être générés (rendements compris entre 60 et 90%), et les carbènes libres 1-(1-méthyl-1-((4S)-iso
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2

Aviles-Moreno, Juan-Ramón. "Flexibilité conformationnelle dans les amines, les sucres et leurs complexes hydratés étudiée par spectroscopie à impulsions microondes et calculs de chimie quantique." Lille 1, 2006. https://ori-nuxeo.univ-lille1.fr/nuxeo/site/esupversions/65353286-2f4b-4a09-9c9a-243841438735.

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En spectroscopie le couplage expérience-théone permet notamment la déterminatIon des structures des conformères les plus stables de (bio)molécules ainsi que l'analyse de mouvements de grande amplitude et de structures hyperfines. Nous avons réalIsé des expériences de spectroscopie à Impulsions mlcroondes par transformée de Fourier en jet supersonique et des calculs de chimie quantique (ab initio et DFT). Nos principaux résultats concernent l'étude de sucres CnH2nOn et de leurs complexes hydratés. Dans le complexe glycolaldéhyde-eau (n=2), la molécule d'eau s'insère avec unc sélectivité au nive
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3

Martin-Gassin, Gaelle. "Etude statique et dynamique par réflectance linéaire et Génération de Second Harmonique de films de molécules et de nanoparticules métalliques à l'interface air / eau." Phd thesis, Université Claude Bernard - Lyon I, 2007. http://tel.archives-ouvertes.fr/tel-00150850.

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La réponse optique linéaire et non linéaire d'assemblages moléculaires et de nano particules métalliques bidimensionnels a été déterminée. Dans un premier temps, l'étude a porté sur des films moléculaires de DiA, un composé amphiphile ayant une forte réponse non linéaire. La conclusion marquante de cette partie est la mise en évidence par des mesures de génération de second harmonique de l'apparition de la chiralité dans les agrégats moléculaires initialement non chiraux à très forte compression. Dans la seconde partie, l'étude optique linéaire et non linéaire des films de particules métalliqu
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4

Han, Jeong Woo. "Density functional theory studies for separation of enantiomers of a chiral species by enantiospecific adsorption on solid surfaces." Diss., Georgia Institute of Technology, 2010. http://hdl.handle.net/1853/34848.

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The distinct response of biological systems to the two enantiomers of a chiral chemical has led to a large market for enantiopure pharmaceuticals and raised fundamental issues about the origin of biological homochirality. It is therefore important to understand the interactions of chiral molecules with chiral environments. Chiral environments associated with solid surfaces could potentially play a useful role in chirally specific chemical processing. There are a variety of routes for creating chiral solid surfaces. Surfaces of materials whose bulk crystal structure is enantiomorphic can be use
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5

Lam, Polo Chun Hung. "Experimental and Computational Studies in Bioorganic and Synthetic Organic Chemistry." Diss., Virginia Tech, 2004. http://hdl.handle.net/10919/40013.

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Cationâ Ï interaction is an important determinant in protein structure and function. Among the three proteinogenic aromatic amino acids, tryptophan (Trp) is the strongest cationâ Ï donor. We reported the asymmetric syntheses of tryptophan regioisomers in which the amino acid side chain is attached at different position of the indole moiety. These new tryptophan regioisomers can effect a different mode of cationâ Ï interaction. In nature, dramatic increases in binding affinity can be achieved through multivalent binding. Following a fragmentation-dimerization approach, we synthesized
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6

Karimova, Natalia Vladimirovna. "Theoretical study of the optical properties of the noble metal nanoparticles: CD and MCD spectroscopy." Diss., Kansas State University, 2017. http://hdl.handle.net/2097/38177.

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Doctor of Philosophy<br>Department of Chemistry<br>Christine M. Aikens<br>Gold and silver particles with dimensions less than a nanometer possess unique characteristics and properties that are different from the properties of the bulk. They demonstrate a non–zero HOMO–LUMO gap that can reach up to 3.0 eV. These differences arise from size quantization effects in the metal core due to the small number of atoms. These nanoparticles have attracted great interest for decades both in fundamental and applied research. Small gold clusters protected by various types of ligands are of interest because
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7

Hsu, Danny Chung. "Mechanistic Studies on Memory of Chirality Alkylations of 1,4-Benzodiazepin-2-ones & Structure-based Design of Insecticidal AChE Inhibitors for Malaria Mosquito, Anopheles gambiae." Diss., Virginia Tech, 2007. http://hdl.handle.net/10919/29192.

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Memory of chirality (MOC) is an emerging strategy for asymmetric synthesis which relies upon the intermediacy of transiently non-racemic reactive species. In these reactions the configuration of the sole stereogenic center of the enantiopure starting material is "memorized" by a chiral non-racemic conformation in the intermediate; trapping then captures the stereochemical information, and generates a new stereogenic center with high fidelity. We experimentally and computationally studied the highly retentive deprotonation/alkylations of 1,4-benzodiazepin-2-ones (BZDs) that rely upon this strat
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8

MacQuarrie, Stephanie Lee. "Design and Synthesis of Novel Benzodiazepines." Diss., Virginia Tech, 2005. http://hdl.handle.net/10919/30209.

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Bivalent drug design is an efficient strategy for increasing potency and selectivity of many drugs. We devised a strategy to prepare agonist-benzodiazepine heterodimers that could simultaneously bind to agonist and BZD sites of the GABAAR. We synthesized a benzodiazepine-MPEG model compound that relied on physiological GABA to elicit flux. We established that a tether at the N1 position of the BZD would not prevent binding to the receptor. However, coupling of GABA amides with long chain PEG tethers studied by another group member resulted in complete loss of agonist activity. We therefore cea
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9

Hedman, Daniel. "A Theoretical Study: The Connection between Stability of Single-Walled Carbon Nanotubes and Observed Products." Licentiate thesis, Luleå tekniska universitet, Materialvetenskap, 2017. http://urn.kb.se/resolve?urn=urn:nbn:se:ltu:diva-62321.

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Over the past 20 years’ researchers have tried to utilize the remarkable properties of single-walled carbon nanotubes (SWCNTs) to create new high-tech materials and devices, such as strong light-weight composites, efficient electrical wires and super-fast transistors. But the mass production of these materials and devices are still hampered by the poor uniformity of the produced SWCNTs. These are hollow cylindrical tubes of carbon where the atomic structure of the tube wall consists of just a single atomic layer of carbon atoms arranged in a hexagonal grid. For a SWCNT the orientation of the h
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10

Shanmugam, Janaki. "Correlation of optical anisotropy with structural changes in Ge2Sb2Te5." Thesis, University of Oxford, 2018. http://ora.ox.ac.uk/objects/uuid:8cee7355-0ff6-4939-a606-a406c7a9823d.

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Ge<sub>2</sub>Sb<sub>2</sub>Te<sub>5</sub> (GST) is an established phase-change material that undergoes fast reversible transitions between amorphous and crystalline states with a high electro-optical contrast, enabling applications in non-volatile optical and electronic memories and optically-switchable structured metamaterials. This work demonstrates that optical anisotropy can be induced and recorded in pure and doped GST thin films using circularly polarised light (CPL), opening up the possibility of controlled induction of anisotropic phase transition in these and related materials for op
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11

Biguet, Alexandre. "Modèles Nambu--Jona-Lasinio pour l’étude des phases de la chromodynamique quantique : qualités des prédictions et phases hautes densités." Thesis, Lyon, 2016. http://www.theses.fr/2016LYSE1179/document.

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Les modèles effectifs de type Nambu—Jona-Lasinio (NJL) peuvent être utilisés pour étudier les phases à densité et température finies de la chromodynamique quantique (QCD). Alors que les prédictions de ces modèles effectifs peuvent être comparées avec les résultats sur réseaux aux faibles densités, un tel garde-fou n'existe pas à plus haute densité où la discrétisation fait face à un problème de signe sévère. Dans cette thèse nous proposons une méthode systématique permettant de calculer la stabilité d'une prédiction par rapport aux données d'entrée du modèle. De cette manière un critère quanti
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12

Carter, Rachel Mary. "Form factors in a hybrid chiral soliton model with continuous baryon density." Thesis, 2015. http://hdl.handle.net/10539/16489.

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13

Březina, Václav. "Spektroskopické a teoretické studium supramolekulárních komplexů symetrických porfyrinů s chirálními guesty." Master's thesis, 2014. http://www.nusl.cz/ntk/nusl-336614.

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Certain types of porphyrins can be used as achiral agent for determination of enantiomeric excess (ee) of chiral molecules. Particular organic chiral molecule (guest) and porphyrin (host) form host-guest complex while inducing nonequiv- alency of particular proton resonances in symmetrical host. It causes splitting of NMR signals linearly dependent on ee of guest. In this work we investigated com- plexation of di-brombenzylated oxoporphyrin with chiral camphorsulfonic acid. NMR titration revealed that they form complex with 1:1 stoichiometry with as- sociation constant K ≈ 5 × 104 l/mol. We co
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14

He, Jiangtao. "Investigation of the stereo structures of chiral molecules using vibrational circular dichroism, optical rotation, and density functional theory." Diss., 2005. http://etd.library.vanderbilt.edu/ETD-db/available/etd-11222005-105458/.

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15

Šikorský, Tomáš. "Studium chirálních vlastností supramolekulárních komplexů." Master's thesis, 2011. http://www.nusl.cz/ntk/nusl-296381.

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