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Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 20 of 83 for “"conformer"”.
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Infrared Photon Initiated Conformer Interconversion, Fourier Transform Microwave Spectroscopy of Hydrogen Bonded Trimers, and Study of Conformer Cooling in Supersonic Expansions
… excited by an IR OPO laser in 2 molecules having conformers. Because the barrier for interconversion is lower (higher) in methyl vinyl ether (methyl nitrite) than IR photon energies, IR fluorescence spectra showed conformational interconversion occurred (did not occur). For the first time, well …
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Saving the Church of England: John Edwards (1637-1716) as dissenting conformer
Following early retirement from parish work, Edwards undertook a mission to defend and preserve the Church of England. Against those who sought to make optional those doctrines traditionally considered as essential for Christian orthodoxy, such as the Trinity and Incarnation, Edwards was …
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Infrared spectroscopy of cluster ions: High energy conformer trapping and multiple photon absorption
… of two major themes. Trapped, high energy conformers are observed in argon tagged clusters. In non-argon tagged hydrated alkali metal ion clusters, multiple photon absorption processes can occur. The cluster ions discussed in this dissertation are generated by impacting neutral clusters …
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Raman, Infrared and Microwave Spectra, Conformational Stability, R₀ Structural Parameters and Vibrational Assignments of Some Organoamines, Organophosphines, Alcohols And Substituted Four And Five Membered Rings
… have been obtained for each of the most stable conformers and in some cases for the less stable conformers. The vibrational assignments were supported by normal coordinate calculations with scaled force constant from MP2(full)/6-31G(d) calcualtions from which the fundamental vibrational …
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Organoisocyanates: the conformational stability determination by infrared, raman and microwave spectroscopy and ab initio calculation
… 21,000 MHz with transitions for the most stable conformer assigned. For methylisocyanate, the barrier to internal rotation and linearity has been determined to be 46 cm-1 and 975 cm-1, respectively. For the Ethylisocyanate, the cis conformation is determined to be more stable than the trans form …
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Experimental investigations of molecules desorbing from a cold surface with buffer gas cooling and broadband roational spectroscopy : applications in astrochemistry
… The instrument, chirped-pulse ice (CPICE) offers conformer specific detection of molecules in the 60-90 GHz region using broadband mm- wave rotational spectroscopy, giving it significant relevance in the context of molecular radioastronomy which continues to enrich our understanding of the …
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Quantitative structure activity relationships of monoamine oxidase catalyzed oxidation of 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine analogs
… heterocycle analogs, and 4-phenyl analogs. The conformer with phenyl ring to tetrahydropyridine dihedral angles similar to a low energy conformer of I-methyl-4-(2'-methyl-phenyl)-1,2,3,6- tetrahydropyridine is the most active conformer. Results indicate that rate limiting single electron …
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Conformational Behavior and Structural Parameters of Some Cyclic and Chain Molecules
… From these spectral data, the possible stable conformers have been identified and the enthalpy differences are given among the various forms for each molecule. By utilizing microwave determined rotational constants for isotopomers, combined with structural parameters predicted from …
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Theoretical and experimental investigation into the IR-VUV ion dip spectroscopy of amino acids and analogue systems
… In the case of the aliphatic amino acids, conformer specific decomposition pathways are observed spectroscopically, and further elucidated both through the study of III amino acid analogue species and through high level multiconfigurational CASSCF calculations. It is shown that upon …
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The mechanism of Parkin activation by PINK1 phosphorylation
… on previous work in which a novel phospho-Ub conformer was characterized crystallographically, the same conformer was found in unmodified Ub in this work. This striking finding is supported by further biochemical and biophysical investigation of the newly discovered equilibrium in unmodified …
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Structural Determinants in the folding of epidermal growth factor (EGF)-Like domains
… reaction using regiospecifically-synthesized conformers as controls, we determined that the last segment of both domains (encompassing C₅ and C₆) do not influence the tendencies to fold into their respective native conformations. When folded under denaturing conditions, the folding tendency of …
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Electronic and solvent effects on monosaccharide conformations
… point of view) in their preferences for gauche conformers. These molecules exhibit very different biological and thermodynamic properties in, for example their binding to glycosides or their liquid crystalline phases in glycolipids. The preference for gauche conformations has been attributed to …
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Attitudes et comportements alimentaires des athlètes néo-brunswickois pratiquants un sport de performance sensible au poids
… du comportement alimentaire) pour tenter de se conformer." --Sommaire.
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La relation dans la science de la logique de Hegel
… L'étude de la relation hégélienne; doit ainsi se conformer à cette division. Puisque l'originalité de Hegel consiste, non pas tellement dans sa notion de la relation, mais plutôt dans le développement de la relation, l*emphase portera sur ce second aspect. Il s'agit donc de considérer d'abord la …
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Le statut avancé du Maroc: vers une adhésion ou un partenariat privilégié
… et financiers pour poursuivre ses réformes et conformer sa législation à la législation européenne. Le Maroc, pays test dans le cadre de la politique européenne de voisinage (PEV), est le premier à bénéficier de ce statut. La PEV n’ayant d’autre but que de renforcer les relations économiques, …
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Deciphering the Molecular Basis of the Species Barrier in Prion Disease Using Bank Vole PrP
… cellular protein called PrPC into a β-sheet rich conformer referred to as scrapie or PrPSc. The infectious nature of this conformer enables it to template the conversion of PrPC into additional copies of PrPSc, the efficiency of which depends on the sequence-encoded structural compatibility of the …
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Correlations between MO Eigenvectors and the Thermochemistry of Simple Organic Molecules, Related to Empirical Bond Additivity Schemes
… the difference between the lowest energy conformer and the average energy of a mixture populated with higher energy conformers. This is the difference between the experimental ΔfHº value and the ΔfHº calculated for a single conformer. Example calculations which we have followed are given …
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Electronic and solvent effects on monosaccharide conformations
… point of view) in their preferences for gauche conformers. These molecules exhibit very different biological and thermodynamic properties in, for example their binding to glycosides or their liquid crystalline phases in glycolipids. The preference for gauche conformations has been attributed to …
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Enantioselective Synthesis of Drug-like Molecules via Axially-Chiral Intermediates
… Carlier group demonstrated the preferential (M)-conformer deprotonation demonstrated by 1,4-benzodiazepin-2,5-diones, and through the installation of an N4-tert-butyloxycarbonyl protecting group, we were able to take advantage of this preferential (M)-conformer deprotonation and generate …
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Quantum Crystallography of Hydronium Cations
… confirmed transition state of a H7O3+conformer captured within a crystal. A third product from our efforts was the theoretically viable, cubic arrangement of 3[H3O+]3[H2O]2[OH-] derived from the observed behavior of hydronium cationic clusters. </p>
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