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Dissertations / Theses on the topic 'NMR titrations'

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Published: 4 June 2021
Last updated: 26 July 2025

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1

McGrath, Jacqueline. "Advances in Supramolecular Catalysis: Studies of Bifurcated Hamilton Receptors." Thesis, University of Oregon, 2016. http://hdl.handle.net/1794/19691.

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Bidentate ligands are a commonly used class of ligands in catalysis that generate highly-active and selective catalysts. Such bidentate ligands, however, often suffer from synthetic challenges, which can be alleviated by the use of simpler monodentate ligands that assemble through non-covalent interactions to mimic the structure of bidentate ligands at the metal center. To produce a strongly assembled catalyst complex, the Hamilton receptor motif was utilized. Hamilton receptors form six hydrogen bonds with complementary guests and have binding affinities for barbiturates of up to 104 M-1 in C
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2

Augner, Sven Thomas. "Neue Entwicklungen zur Durchführung automatisierter NMR-kontrollierter Titrationen von Phosphon- und Phosphinsäuren." [S.l.] : [s.n.], 2002. http://deposit.ddb.de/cgi-bin/dokserv?idn=964783274.

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3

Aw, Hong Wai. "Comparative binding studies with a tetraurea picket porphyrin receptor using 1H NMR and isothermal titration calorimetry." Thesis, Wichita State University, 2010. http://hdl.handle.net/10057/3664.

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The (α, α, α, α)-5,10,15,20-tetrakis(2-(4-fluorophenylurea)phenyl)porphyrin binds strongly (K(M-1)>104) to the chloride anion and close to 2-3 orders of magnitude less to the acetate anion, in DMSO-d6 as revealed by 1H NMR titration studies. However, the acetate anion showed stronger binding than the chloride anion when ITC analyses were done. Thus, the binding studies' results vary with the use of instrumental method. Other significant differences and similarities observed in the behavior of anion binding with the porphyrin receptor when using the two probes will also be addressed in this rep
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4

Bolz, Ina. "Chromophore Barbitursäure-Derivate als schaltbare opto-chemische Sensoren für Nukleinbasen und verwandte Verbindungen." Doctoral thesis, Universitätsbibliothek Chemnitz, 2009. http://nbn-resolving.de/urn:nbn:de:bsz:ch1-200901505.

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Gegenstand der vorliegenden Arbeit ist die Synthese und Strukturaufklärung von neuartigen, chromophoren Barbituraten, welche als selektive Chemosensoren verwendet werden können. Als Schlüsselverbindungen dienten 5-(4-Nitrophenyl)-barbiturate, deren Enolisierungsfähigkeit systematisch untersucht wurden. Des Weiteren konnten SCHIFFschen Basen, Pyridinium-Barbiturat-Betain-Farbstoffe sowie ein fluoreszenzaktive Naphthalimid synthetisiert werden, in welchen der Barbitursäure-Substituent ebenfalls elektronenschiebende Eigenschaften aufweist. Die individuelle Interaktion der Barbiturate mit der Solv
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5

VIDOVIC, NIKOLINA. "SYNTHESIS AND ION BINDING PROPERTIES OF CYCLIC HOMOPEPTIDES." Doctoral thesis, Università degli Studi di Milano, 2018. http://hdl.handle.net/2434/575834.

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Synthesis and ion binding properties of cyclic homopeptides Starting from the isolation of the antibiotic Gramicidin S, the first biologically active cyclopeptide identified in 1944, cyclic peptides have attracted increasing interest due to their unique chemical and biological properties. In cyclic peptides the amino acidic chains are closed in the ring to give structures with reduced conformational freedom compared to linear precursors. As a consequence, cyclic peptides generally have greater resistance to in vivo enzymatic degradation, greater bioavailability and ultimately greater bindin
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6

Szakács, Zoltán. "NMR-Titrationen und neue Auswertekonzepte zur Aufklärung der mikroskopischen Dissoziation und der pH-abhängigen Konformation von biorelevanten Phosphinsäuren und Carnosinderivaten." [S.l. : s.n.], 2002. http://deposit.ddb.de/cgi-bin/dokserv?idn=968426891.

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7

Börjesson, Ulf Börjesson Ulf Erik. "Electrostatic interactions in computer simulations of biomolecular systems : influence of system size, solvation, and titration /." [S.l.] : [s.n.], 2004. http://e-collection.ethbib.ethz.ch/show?type=diss&nr=15454.

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8

Xu, Shenyuan. "Nuclear Magnetic Resonance Spectroscopy Studies of At2g44920, a Pentapeptide Repeat Protein from Arabidopsis thaliana and X-ray Crystallography, Isothermal Titration Calorimetry Studies of K-Ras, a Human Oncogenic GTP-ase Signaling Protein." Miami University / OhioLINK, 2017. http://rave.ohiolink.edu/etdc/view?acc_num=miami1500896385881469.

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9

Bertaut, Éléonore. "Développement de nouvelles méthodologies pour la calorimétrie de titration isotherme : Applications aux domaines de l'environnement et de la santé." Thesis, Littoral, 2016. http://www.theses.fr/2016DUNK0424/document.

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Ce travail de thèse a été consacré au développement de nouvelles méthodologies de caractérisation des affinités intermoléculaires par le biais de la calorimétrie de titration isotherme (ITC), après validation de systèmes modèles par l'intermédiaire des spectroscopies UV-visible, RMN et de l'électrophorèse capillaire. Nous avons en particulier montré que la mise en place et le couplage d'expériences non conventionnelles avec les protocoles classiques permettait d'améliorer la caractérisation calorimétrique, avec notamment une diminution parfois spectaculaire des incertitudes liées aux paramètre
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10

Garcia, Uceda Laia. "Utilización de la espectroscopia NIR en el análisis de identificación y control de calidad de productos farmacéuticos liofilizados." Doctoral thesis, Universitat Autònoma de Barcelona, 2020. http://hdl.handle.net/10803/670519.

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Aquesta tesi aborda la millora de la qualitat dels productes farmacèutics liofilitzats. En termes generals, el procés de liofilització consisteix a eliminar, per sublimació i desorció, l’aigua de la solució de medicaments congelats. El contingut d’humitat residual (RMC) en un producte liofilitzat es considera un atribut crític de qualitat (CQA) i la quantificació d’aquest atribut proporciona informació sobre com s’ha desenvolupat el cicle de liofilització i sobre l’evolució de la qualitat del producte durant la seva vida útil. D’altra banda, les formulacions de productes farmacèutics liofilitz
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11

Wahlberg, Elisabet. "Structure determination and thermodynamic stabilization of an engineered protein-protein complex." Doctoral thesis, KTH, Skolan för bioteknologi (BIO), 2006. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-4230.

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The interaction between two 6 kDa proteins has been investigated. The studied complex of micromolar affinity (Kd) consists of the Z domain derived from staphylococcal protein A and the related protein ZSPA-1, belonging to a group of binding proteins denoted affibody molecules generated via combinatorial engineering of the Z domain. Affibody-target protein complexes are good model systems for structural and thermodynamic studies of protein-protein interactions. With the Z:ZSPA-1 pair as a starting point, we determined the solution structure of the complex and carried out a preliminary character
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12

Barman, Jharna. "Targeting RNA by the Antisense Approach and a Close Look at RNA Cleavage Reaction." Doctoral thesis, Uppsala : Acta Universitatis Upsaliensis Acta Universitatis Upsaliensis, 2007. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-8272.

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13

Murugavel, Kathiresan. "Synthesis, Characterization and Host-Guest Complexation Studies of Dendritic and Linear Pyridinium Derivatives." Doctoral thesis, 2010. https://repositorium.ub.uni-osnabrueck.de/handle/urn:nbn:de:gbv:700-201012206743.

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Convergent and divergent strategies for the synthesis of viologen dendrimers with 1,3,5-tri-methylene branching units are presented. The synthesis of 3,5-bis(hydroxymethyl) benzyl bromide was optimized. The analysis of the crystal structure of 1-[3,5-bis(hydroxymethyl)benzyl]-4-(pyridin-4-yl) pyridinium hexafluorophosphate together with PM3 calculations opens an avenue to judge the structure and conformation of benzylic viologen dendrimers. In order to study chemical trigger induced conformational changes, viologen dendrimers were spin-labeled via a divergent approach. 1-(2,4-dinitrophenyl)-4-
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14

Gross, Dustin Eugene. "ITC and NMR spectroscopy binding studies of meso- octamethyl-calix[4]pyrrole and its derivatives." Thesis, 2009. http://hdl.handle.net/2152/ETD-UT-2009-05-42.

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This dissertation reports on the recent discovery that calix[4]pyrrole not only functions as an anion receptor, but also has the ability to act as an ion pair receptor. It was discovered that in the solid state large diffuse cations, such as Cs+ and imidazolium, will occupy the electron-rich cone-like cavity that is formed upon anion binding to the NH region of the calix[4]pyrrole core. Also discussed are efforts devoted to improving the anion binding ability of calixpyrroles and fine-tuning their inherent selectivity. This has been probed through a variety of structural modifications. One
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15

Schallreuter, Karin U., Derek J. Maitland, Angel L. Pey, et al. "Specific interaction of the diastereomers 7(R)- and 7(S)-tetrahydrobiopterin with phenylalanine hydroxylase: implications for understanding primapterinuria and vitiligo." 2009. http://hdl.handle.net/10454/3091.

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Pterin-4a-carbinolamine dehydratase (PCD) is an essential component of the phenylalanine hydroxylase (PAH) system, catalyzing the regeneration of the essential cofactor 6(R)-L-erythro-5,6,7,8-tetrahydrobiopterin [6(R)BH4]. Mutations in PCD or its deactivation by hydrogen peroxide result in the generation of 7(R,S)BH4, which is a potent inhibitor of PAH that has been implicated in primapterinuria, a variant form of phenylketonuria, and in the skin depigmentation disorder vitiligo. We have synthesized and separated the 7(R) and 7(S) diastereomers confirming their structure by NMR. Both 7(R)- and
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16

Maitland, Derek J., R. Charubala, Arurora Martinez, Angel L. Pey, and Karin U. Schallreuter. "Specific interaction of the diastereomers 7(R) and 7(S) tetrahydrobiopterin with phenylalanine hydroxylase: implications for understanding primapterinuria and vitiligo." 2006. http://hdl.handle.net/10454/2748.

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Pterin-4a-carbinolamine dehydratase (PCD) is an essential component of the phenylalanine hydroxylase (PAH) system, catalyzing the regeneration of the essential cofactor 6(R)-L-erythro-5,6,7,8-tetrahydrobiopterin [6(R)BH4]. Mutations in PCD or its deactivation by hydrogen peroxide result in the generation of 7(R,S)BH4, which is a potent inhibitor of PAH that has been implicated in primapterinuria, a variant form of phenylketonuria, and in the skin depigmentation disorder vitiligo. We have synthesized and separated the 7(R) and 7(S) diastereomers confirming their structure by NMR. Both 7(R)- and
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17

Pey, A. L., A. Martinez, R. Charubala, et al. "Specific interaction of the diastereomers 7(R)- and 7(S)-tetrahydrobiopterin with phenylalanine hydroxylase: implications for understanding primapterinuria and vitiligo." 2006. http://hdl.handle.net/10454/13682.

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no<br>Pterin-4a-carbinolamine dehydratase (PCD) is an essential component of the phenylalanine hydroxylase (PAH) system, catalyzing the regeneration of the essential cofactor 6(R)-L-erythro-5,6,7,8-tetrahydrobiopterin [6(R)BH4]. Mutations in PCD or its deactivation by hydrogen peroxide result in the generation of 7(R,S)BH4, which is a potent inhibitor of PAH that has been implicated in primapterinuria, a variant form of phenylketonuria, and in the skin depigmentation disorder vitiligo. We have synthesized and separated the 7(R) and 7(S) diastereomers confirming their structure by NMR. Both 7(R
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18

Augner, Sven Thomas [Verfasser]. "Neue Entwicklungen zur Durchführung automatisierter NMR-kontrollierter Titrationen von Phosphon- und Phosphinsäuren / vorgelegt von Sven Thomas Augner." 2002. http://d-nb.info/964783274/34.

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19

Wright, Kathleen. "Towards the development of a benzylpiperazine specific molecular imprinted polymer." Thesis, 2010. http://hdl.handle.net/1959.13/805174.

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Research Doctorate - Doctor of Philosophy (PhD)<br>Molecular imprinting has proved to be an effective technique for the creation of artificial recognition sites within a polymer matrix. These synthetic receptors known as MIPs, are cheap, are relatively simple to prepare and can be tailor made for potentially any target including large molecular-weight molecules. Two approaches, non-covalent (self assembly) and semi-covalent, have been employed to prepare MIPs for benzylpiperazine (BZP), a dominant bioactive compound in a new class of piperazine-base designer drugs. To the best of my knowledge,
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20

Pham, Duc-Truc. "Beta-cyclodextrin modification and host-guest complexation." 2008. http://hdl.handle.net/2440/57975.

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A series of five linked β-cyclodextrin (βCD) dimers N,N-bis(6 [superscript]A-deoxy-6[superscript]A-β-cyclodextrinyl)-succinamide, 66βCD₂su, N-((2[superscript]A S,3 [superscript]A S)-3 [superscript]A-deoxy-3 [superscript]A-β-cyclodextrinyl)-N’-(6 [superscript]A-deoxy-6 [superscript]A -β-cyclodextrinyl)-urea, 36βCD₂su, N,N-bis((2 [superscript]A S,3 [superscript]A S)-3 [superscript]A -deoxy-3 [superscript]A-β-cyclodextrinyl)-succinamide, 33βCD₂su, N,N-bis(6[superscript]A-deoxy-6[superscript]A-β-cyclodextrinyl)-urea, 66βCD₂ur, and N-((2 [superscript]A S,3 [superscript]A S)-3 [superscript]A-deoxy-3
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21

Szakács, Zoltán [Verfasser]. "NMR-Titrationen und neue Auswertekonzepte zur Aufklärung der mikroskopischen Dissoziation und der pH-abhängigen Konformation von biorelevanten Phosphinsäuren und Carnosinderivaten / vorgelegt von Zoltán Szakács." 2002. http://d-nb.info/968426891/34.

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22

Murmiliuk, Anastasiia. "Multidimenzionální charakterizace polyelektrolytů a interpolyelektrolytových komplexů ve vodných roztocích." Doctoral thesis, 2021. http://www.nusl.cz/ntk/nusl-438407.

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Multidimensional characterization of polyelectrolytes and interpolyelectrolyte complexes in aqueous solutions Abstract: This PhD thesis is dedicated to the study of polyelectrolytes and their self-assembly in aqueous solutions. The morphology and ionization state of individual polymer chains were investigated as well as their co-assembly with oppositely charged species. First, the charge regulation of short and long weak polyelectrolytes in aqueous solution was investigated to deeper understand their pH-responsive properties. The changes of ionization degree and charge of oligopeptides compose
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23

Bouchard, Patricia. "Caractérisation structurale et thermodynamique de la reconnaissance du substrat par le ribozyme VS de Neurospora." Thèse, 2014. http://hdl.handle.net/1866/11763.

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Les interactions ARN/ARN de type kissing-loop sont des éléments de structure tertiaire qui jouent souvent des rôles clés chez les ARN, tant au niveau fonctionnel que structural. En effet, ce type d’interaction est crucial pour plusieurs processus dépendant des ARN, notamment pour l’initiation de la traduction, la reconnaissance des ARN antisens et la dimérisation de génome rétroviral. Les interactions kissing-loop sont également importantes pour le repliement des ARN, puisqu’elles permettent d’établir des contacts à longue distance entre différents ARN ou encore entre les domaines éloignés d’u
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24

Williams, Justin A. "Biophysical studies of cholesterol in unsaturated phospholipid model membranes." Thesis, 2013. http://hdl.handle.net/1805/5067.

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Indiana University-Purdue University Indianapolis (IUPUI)<br>Cellular membranes contain a staggering diversity of lipids. The lipids are heterogeneously distr ibuted to create regions, or domains, whose physical properties differ from the bulk membrane and play an essential role in modulating the function of resident proteins. Many basic questions pertaining to the formation of these lateral assemblies remain. T his research employs model membranes of well - defined composition to focus on the potential role of polyunsaturated fatty acids (PUFAs) and their interaction with cholesterol
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25

Idrissa, Moussa Mohamed. "Études structurales d’interactions protéine/protéine impliquées dans la leucopoïèse." Thèse, 2017. http://hdl.handle.net/1866/18660.

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La génération des cellules hématopoïétiques, aussi connue sous le nom d'hématopoïèse, est contrôlée par l’activité conjuguée de facteurs de transcription lignée-spécifiques permettant l’expression, en temps et lieu, de gènes spécifiques nécessaires pour le développement cellulaire. Dans le cadre de notre étude, nous avons étudié les facteurs de transcription KLF2 et KLF4 qui jouent des rôles cruciaux dans la formation des lymphocytes B et T. KLF2 et KLF4 activent la transcription de gènes spécifiques via leur interaction avec le co-activateur (CBP). Leurs interactions avec CBP requièrent le do
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26

R, Chabot Philippe. "Caractérisation structurale et fonctionnelle des interactions impliquant TFIIH et les domaines de transactivation viraux." Thèse, 2014. http://hdl.handle.net/1866/11003.

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Le facteur de transcription IIH (TFIIH) joue un rôle crucial dans la transcription et dans la réparation de l’ADN. La sous-unité Tfb1/p62 (levure et humain) de TFIIH interagit avec de nombreux facteurs de transcription (p53, NFκB, TFIIEα) et de réparation (Rad2/XPG and Rad4/XPC) (1). La majorité des interactions avec Tfb1/p62 requiert le domaine d’homologie à la Pleckstrin (PH) localisé dans la région N-terminal de la protéine (2, 3). Ce domaine PH forme des complexes avec des domaines de transactivation acide provenant de protéines cibles impliquées dans la transcription et la réparatio
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