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Dissertations / Theses on the topic 'Structure Elucidation by NMR'

Author: Grafiati

Published: 4 June 2021

Last updated: 5 February 2022

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1

Tatolo, Godiraone. "Improved NMR-based methods for molecular structure elucidation." Thesis, University of Bristol, 2014. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.680109.

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The use of 1H_I3C NMR correlations and its corresponding I1JCH has found a tremendous use in structural elucidation of organic compounds. Chapter 1 highlights different methods for determination of IH_13C correlations and for the measurement of I1JCH. In this work we reported two improved methods for determination of IH_I3C correlations (CTgc2HMBC) and, for the measurement of nJCH (SelEXSIDE). Chapter 2 describes the work undeliaken in order to quantify improvements to the gradient heteronuclear multiple bond correlation (HMBC) experiment specifically to design a constant time gradient HMBC (C

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2

Tsiao, Candy. "Approaches to intermolecular structure elucidation utilizing NMR and DNP parameters." Diss., Virginia Polytechnic Institute and State University, 1989. http://hdl.handle.net/10919/54441.

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This thesis is divided into two parts. The first part involves the study of molecular structure utilizing Ianthanide induced shift (LIS) and lanthanide induced relaxation (LIR) nuclear magnetic resonance (NMR). It the course of these studies, it was found that the trifluoroethoxy group is a good deactivating group towards lanthanide shift reagents (LSR) and can be used to selectively deactivate multifunctional molecules. The second part of the thesis involves the utilization of liquid-liquid intermolecular transfer (LLIT) dynamic nuclear polarization (DNP) to study the microwave power needed

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3

Al-Busaidi, Harith N. K. "Secondary metabolites from Xylaria endophytes : the isolation and structure elucidation of secondary metabolites from Xylaria endophytes by chemical and spectroscopic methods." Thesis, University of Bradford, 2011. http://hdl.handle.net/10454/5266.

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4

Pöppler, Ann-Christin. "Advanced NMR Methodology for the Investigation of Organometallic Compounds in Solution." Doctoral thesis, Niedersächsische Staats- und Universitätsbibliothek Göttingen, 2013. http://hdl.handle.net/11858/00-1735-0000-0001-BC26-5.

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5

Ståhle, Jonas. "Structure Elucidations of Bacterial Polysaccharides using NMR Spectroscopy and Bioinformatics." Doctoral thesis, Stockholms universitet, Institutionen för organisk kemi, 2017. http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-146867.

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Carbohydrates are ubiquitous components in nature involved in a range of tasks. They cover every cell and contribute both structural stability as well as identity. Lipopolysaccharides are the outermost exposed part of the bacterial cell wall and the primary target for host-pathogen recognition. Understanding the structure and biosynthesis of these polysaccharides is crucial to combat disease and develop new medicine. Structural determinations can be carried out using NMR spectroscopy, a powerful tool giving information on an atomistic scale. This thesis is focused on method development to stud

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6

Al-Busaidi, Harith. "Secondary Metabolites from Xylaria Endophytes: The isolation and structure elucidation of secondary metabolites from Xylaria endophytes by chemical and spectroscopic methods." Thesis, University of Bradford, 2011. http://hdl.handle.net/10454/17479.

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This thesis describes the isolation and structure elucidation of secondary metabolites from a number of endophytic Xylaria fungi. Six Xylaria endophytes were surface cultured on an aqueous malt extract-glucose medium. The fungus A311R, from a palm tree in Thailand, produced nonane-1,2,3-tricarboxylic acid, which was isolated for the first time as a natural product. Also isolated from the same fungus was spiculisporic acid; the first instance of isolation from a Xylaria fungus. The fungus 6RD12 produced cycloepoxydon, which was isolated for the first time from a Xylaria fungus, and 4,5,6-trihyd

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7

Hong, Youlee. "Elucidation of Chain-Folding Structure and Crystallization Mechanism of Semicrystalline Polymer by Solid-State NMR." University of Akron / OhioLINK, 2015. http://rave.ohiolink.edu/etdc/view?acc_num=akron1430246993.

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8

Hedenström, Mattias. "NMR as a tool in drug research : Structure elucidation of peptidomimetics and pilicide-chaperone complexes." Doctoral thesis, Umeå universitet, Kemi, 2004. http://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-320.

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In the last decades NMR spectroscopy has become an invaluable tool both in academic research and in the pharmaceutical industry. This thesis describes applications of NMR spectroscopy in biomedicinal research for structure elucidation of biologically active peptides and peptidomimetics as well as in studies of ligand-protein interactions. The first part of this thesis describes the theory and methodology of structure calculations of peptides using experimental restraints derived from NMR spectroscopy. This methodology has been applied to novel mimetics of the peptide hormones desmopressin and

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9

Johar, Zeena. "Structure elucidation of non-natural analogues of DNA and RNA with nuclear magnetic resonance (NMR) /." Zürich : ETH, 2007. http://e-collection.ethbib.ethz.ch/show?type=diss&nr=17256.

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10

Hedenström, Mattias. "NMR as a tool in drug research : structure elucidation of peptidomimetics and pilicide-chaperone complexes /." Umeå : Dept. of Chemistry, Univ, 2004. http://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-320.

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11

Ndukwe, Ikenna Edward. "Improved NMR-based methods for molecular structure elucidation and dynamics : new frontiers in solution state acquisition." Thesis, University of Bristol, 2016. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.705475.

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12

Alhaidari, Rwaida A. A. "Secondary metabolites from Xylariaceous fungi. The isolation and structure elucidation of secondary metabolites from Xylariaceous fungi by chemical and spectroscopic methods." Thesis, University of Bradford, 2012. http://hdl.handle.net/10454/5705.

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This thesis describes the isolation and structure elucidation of secondary metabolites formed in static culture from a number of endophytic Xylariaceous fungi. Four Xylaria endophytes isolated from a palm tree in Thailand were surface cultured on an aqueous malt extract-glucose medium. They all produced cytochalasin D, coriloxin, (S)-mellein and (3R,4R)-4-hydroxymellein as the main secondary metabolites suggesting that the four endophytes could be the same species. The endophytic fungus A116 produced cytochalasin D as the main secondary metabolite. Another non-endophytic fungus B315, produced

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13

Yu, Margaret. "Applying 2D NMR methods to the structural elucidation of complex natural products." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 1997. http://www.collectionscanada.ca/obj/s4/f2/dsk3/ftp04/nq28097.pdf.

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14

Mantonico, Malisa. "Elucidation of structural Properties of amyloid-like Fibrils via Solid State NMR." Thesis, KTH, Skolan för kemi, bioteknologi och hälsa (CBH), 2018. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-227706.

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The invention of plastic has revolutionized people's life style not only by facilitating the storage and transportation of various goods but also by improving mechanical properties of mankind's technological advances. However, plastic is considered to be harmful, as it contains toxic chemical compounds which are accumulated due to its persistence. Therefore, plastic materials represent a threat to the wildlife, since its extensive use and disposal in landfills and natural habitats increased eminently. People's growing concern about the enviromental impact of pastic and its presence in the food

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15

Alhaidari, Rwaida Adel. "Secondary metabolites from Xylariaceous fungi : the isolation and structure elucidation of secondary metabolites from Xylariaceous fungi by chemical and spectroscopic methods." Thesis, University of Bradford, 2012. http://hdl.handle.net/10454/5705.

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This thesis describes the isolation and structure elucidation of secondary metabolites formed in static culture from a number of endophytic Xylariaceous fungi. Four Xylaria endophytes isolated from a palm tree in Thailand were surface cultured on an aqueous malt extract-glucose medium. They all produced cytochalasin D, coriloxin, (S)-mellein and (3R,4R)-4-hydroxymellein as the main secondary metabolites suggesting that the four endophytes could be the same species. The endophytic fungus A116 produced cytochalasin D as the main secondary metabolite. Another non-endophytic fungus B315, produced

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16

Jiang, Zhi-Hua. "Advances and applications of quantitative 31P NMR for the structural elucidation of lignin." Thesis, McGill University, 1997. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=34650.

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31P NMR spectroscopy was further developed for the structural elucidation of lignin by undertaking a series of systematic studies. More specifically, a detailed model compound investigation showed that 2-chloro-4,4,5,5-tetramethyl-1,3,2-dioxaphospholane is an additional phosphitylation reagent which may provide further quantitative structural information about lignin. Correlation analysis using the Hammet principles revealed that the 31P chemical shifts of lignin- related phenolic hydroxyls with various substitution patterns strongly depend on the nature of the substitution. Such structure-che

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17

Jiang, Zhi-Hua. "Advances and applications of quantitative ³¹P NMR for the structural elucidation of lignin." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 1997. http://www.collectionscanada.ca/obj/s4/f2/dsk2/tape16/PQDD_0013/NQ36991.pdf.

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18

Farshchian, Mona. "Structural elucidation of mRNA(Sirt1)-microRNA 34a complex." Thesis, KTH, Skolan för teknikvetenskaplig kommunikation och lärande (ECE), 2015. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-168623.

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The aim of this thesis is to understand RNA-RNA interactions steering cellular functions, as in the case of this thesis the structure of mRNA(Sirt1) in complex with microRNA-34a (miR-34a). MiR-34a regulates the cancer protein p53 via Sirt1 modulation. This work will be the basis for future drug design and the understanding of misguided regulation in cancer. The miR-34a binds to the mRNA(Sirt1) 3’ untranslated region (3’-UTR) and will either inhibit the translation of the protein Sirtuin 1 by capturing its mRNA or by degrading it. p53, a key activator of miR-34a, prevents cancer development by

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19

Grohe, Kristof [Verfasser], and Rasmus [Akademischer Betreuer] Linser. "Development and application of novel NMR methodology for elucidation of protein structure and dynamics / Kristof Grohe ; Betreuer: Rasmus Linser." München : Universitätsbibliothek der Ludwig-Maximilians-Universität, 2020. http://d-nb.info/122384983X/34.

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20

Singh, Kawarpal Verfasser], Bernhard [Akademischer Betreuer] [Blümich, and Marcel [Akademischer Betreuer] Liauw. "High-resolution compact NMR spectroscopy for structure elucidation, process control and reaction monitoring / Kawarpal Singh ; Bernhard Blümich, Marcel Liauw." Aachen : Universitätsbibliothek der RWTH Aachen, 2018. http://d-nb.info/1189332434/34.

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21

Singh, Kawarpal [Verfasser], Bernhard [Akademischer Betreuer] Blümich, and Marcel [Akademischer Betreuer] Liauw. "High-resolution compact NMR spectroscopy for structure elucidation, process control and reaction monitoring / Kawarpal Singh ; Bernhard Blümich, Marcel Liauw." Aachen : Universitätsbibliothek der RWTH Aachen, 2018. http://d-nb.info/1189332434/34.

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22

Hashim, Alaa Hassan. "Metallopeptides From Design to Catalysis: Structure, Oxidative Activities, And Inhibition Studies Of Designed And Naturally Occurring Metallopeptides." Scholar Commons, 2014. https://scholarcommons.usf.edu/etd/5626.

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Structural and mechanistic complexities of copper-dioxygen systems have attracted much attention in the field of bioinorganic chemistry, both in model systems and trapped protein intermediates. The research presented herein is focused on model and naturally occurring metallopeptide systems, from its design to catalysis. Copper is used as the coordinating metal ion, with cobalt and zinc as probes for metal binding. The bioinorganic chemistry of copper proteins and its coordination and spectroscopic properties are briefly discussed in chapter 1. The next two chapters are centered on the de novo

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23

Tay, Li-Lin. "Improved procedure for setting up, running, and interpreting 2D-NMR spectrum used for structural elucidation." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 1997. http://www.collectionscanada.ca/obj/s4/f2/dsk2/ftp04/mq28760.pdf.

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24

Ehni, Sebastian [Verfasser], and B. [Akademischer Betreuer] Luy. "Optimal Control in the High Resolution NMR-Spectroscopy: Transfer Elements and their Application for Structure Elucidation / Sebastian Ehni. Betreuer: B. Luy." Karlsruhe : KIT-Bibliothek, 2013. http://d-nb.info/1043258027/34.

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25

Ke, Yutian. "Elucidation of Chain-Folding Structure of Isotactic Poly(3-methyl-butene-1) in Bulk and Single Crystals by Solid-State NMR." University of Akron / OhioLINK, 2015. http://rave.ohiolink.edu/etdc/view?acc_num=akron1427824659.

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26

Johnson, Garrett. "Structure Elucidation of a Pyrrolobenzodiazepine Alkaloid and a Biologically Active Polyketide Produced by Rhodococcus sp. MTM3W5.2 via Two-Dimensional NMR Spectroscopy." Digital Commons @ East Tennessee State University, 2019. https://dc.etsu.edu/etd/3681.

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As the battle against ever-increasing drug resistence bacteria rages on, novel and sometimes more complex natural products can be used to combat this. In this study, two-dimensional NMR techniques were utilized to collect a complete spectral data set for two natural products. The first structure, a synthesized Pyrrolobenzodiazepine alkaloid natural product was confirmed through these methods. The second, a strain of Rhodococcus, MTM3W5.2, produces a novel antibacterial molecule in broth cultures and the active compound was fractionated using a Sephedex LH-20 column. Chromatographic purificatio

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27

Plainchont, Bertrand. "Analyse structurale automatique des petites molécules organiques." Thesis, Reims, 2012. http://www.theses.fr/2012REIMS036/document.

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Ce mémoire traite du développement d'outils informatiques d'aide à l'analyse structurale des petites molécules organiques par Résonance Magnétique Nucléaire (RMN). Il comprend deux volets axés sur l'automatisation de tâches auxquelles les chimistes des laboratoires de synthèse organique ou d'isolement de substances naturelles sont confrontés au quotidien, à savoir l'élucidation et la vérification de structure. Le premier volet concerne des améliorations apportées au logiciel de génération de structure LSD (Logic for Structure Determination). Ce logiciel est basé sur l'interprétation des corrél

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28

Hundley, Nicholas James. "Structure Elucidation of Bioactive Compounds Isolated from Endophytes of Alstonia scholaris and Acmena graveolens." Diss., CLICK HERE for online access, 2005. http://contentdm.lib.byu.edu/ETD/image/etd1013.pdf.

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29

Prota, Andrea E. "Structure elucidation of viral and human thymidine kinases and enolase from Alternaria alternata /." [S.l.] : [s.n.], 1999. http://e-collection.ethbib.ethz.ch/show?type=diss&nr=13456.

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30

Torres, Zelina Estevam dos Santos. "ContribuiÃÃo ao conhecimento quÃmico de plantas do nordeste do Brasil: Aspidosperma ulei Markgr." Universidade Federal do CearÃ, 2012. http://www.teses.ufc.br/tde_busca/arquivo.php?codArquivo=8237.

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FundaÃÃo de Amparo Ã Pesquisa do Estado do Amazonas<br>Aspidosperma ulei Markgr, popularmente conhecida como pitiÃ ou piquiÃ, apresenta-se como uma Ãrvore com casca Ãspera e acinzentada. No presente trabalho foi realizado o estudo fitoquÃmico dos extratos etanÃlicos das folhas de Aspidosperma ulei, alÃm de uma reinvestigaÃÃo fitoquÃmica do caule e raiz de um espÃcime coletado na localidade Garapa, MunicÃpio de Acarape, no estado do CearÃ. Para os extratos etanÃlicos dos lenhos do caule e raiz e da casca da raiz foram realizados tratamentos por extraÃÃo Ãcido/base para obtenÃÃo das fraÃÃes alca

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31

Zurhelle, Christian [Verfasser], Tilmann [Akademischer Betreuer] Harder, Tilmann [Gutachter] Harder, and Peter [Gutachter] Spiteller. "Structural elucidation and quantification of novel toxins in marine microalgae by NMR- and molecular modelling-based techniques / Christian Zurhelle ; Gutachter: Tilmann Harder, Peter Spiteller ; Betreuer: Tilmann Harder." Bremen : Staats- und Universitätsbibliothek Bremen, 2019. http://d-nb.info/1202334202/34.

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32

Lundborg, Magnus. "Computer-Assisted Carbohydrate Structural Studies and Drug Discovery." Doctoral thesis, Stockholms universitet, Institutionen för organisk kemi, 2011. http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-56411.

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Carbohydrates are abundant in nature and have functions ranging from energy storage to acting as structural components. Analysis of carbohydrate structures is important and can be used for, for instance, clinical diagnosis of diseases as well as in bacterial studies. The complexity of glycans makes it difficult to determine their structures. NMR spectroscopy is an advanced method that can be used to examine carbohydrates at the atomic level, but full assignments of the signals require much work. Reliable automation of this process would be of great help. Herein studies of Escherichia coli O-an

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33

Li, Guoqiang. "Structure elucidation of bioactive natural products." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 1997. http://www.collectionscanada.ca/obj/s4/f2/dsk2/tape16/PQDD_0004/NQ29469.pdf.

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34

Thistlethwaite, Iain R. G. "Structure elucidation of the kalimantacin antibiotics." Thesis, University of Bristol, 2015. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.685333.

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In this thesis the production, isolation and purification of the kalimantacin antibiotics are described along with details of the elucidation of the structures including the relative and absolute stereochemistry. Kalimantacin A, isolated from Pseudomonas jluorescens strain BCCM_ ID9359, is biosynthesised by a trans-AT type I polyketide synthase (PKS) and exhibits strong and selective activity against multi-resistant Staphylococcus aureus (MRSA). Two mutant strains, ~batF and ~batM, have been produced from which 17- hydroxy analogue 20, 27-descarbamoyl analogue 21 and 17-hydroxy-27-descarbamoyl

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35

Murphy, Annabel Christine. "Structure Elucidation and Synthesis of Natural Products." Thesis, University of Canterbury. Chemistry, 2008. http://hdl.handle.net/10092/1748.

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In this thesis, synthetic chemistry was used as a tool in the exploration of various aspects of natural products discovered by the natural products research group at the University of Canterbury. Work on the constituent amino acids and connectivity of the pteratides, a potently cytotoxic series of cyclodepsipeptides, had been completed before the beginning of this work (carried out by Miss C. Chen). The elucidation of the stereochemistry of the constituent amino acids was undertaken in this present work. The synthesis of all stereochemical entities of a number of unusual amino acids, which wer

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36

Abildgaard, Jens. "Quantum chemical models in molecular structure elucidation /." Roskilde : Roskilde University, Department of Life Sciences and Chemistry, 1998. http://hdl.handle.net/1800/535.

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37

Chatterjee, Ashraf Anne Kublawi. "Structure elucidation of biopolymers by mass spectrometry." Thesis, Imperial College London, 1990. http://hdl.handle.net/10044/1/47800.

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38

施麗琼 and Lai-king Sy. "Structure elucidation and oxidation chemistry of natural products." Thesis, The University of Hong Kong (Pokfulam, Hong Kong), 1998. http://hub.hku.hk/bib/B3123768X.

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39

Buchanan, H. J. "The synthesis and structure elucidation of organotin-steroids." Thesis, University of Aberdeen, 1997. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.592189.

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The thesis was concerned with the synthesis structures and activity and reactivities of stannylated steroid derivatives. Most attention has been paid to cholesterol and cholestene derivatives. Directly bonded stannylated cholestene derivatives have been obtained by various routes. 3α-triphenylstannylcholest-5-ene was obtained from the regiospecific reaction of Ph<SUB>3</SUB>SnLi with cholesteryl sulphonates; 3β-triorganostannylcholest-5-ene was obtained by the regiospecific reaction of Ph<SUB>3</SUB>SnCl with 3β-chloromagnesiocholest-5-ene. The Barbieri-type reaction of Ph<SUB>3</SUB>SnCl and

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Sy, Lai-king. "Structure elucidation and oxidation chemistry of natural products /." Hong Kong : University of Hong Kong, 1998. http://sunzi.lib.hku.hk/hkuto/record.jsp?B19737300.

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41

Fotso, Joseph. "Structure elucidation and toxicological characterization of Fusarium metabolites /." Search for this dissertation online, 2003. http://wwwlib.umi.com/cr/ksu/main.

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42

Chan, Anna Leung. "The structure elucidation of glycoproteins by mass spectrometry." Thesis, Imperial College London, 1991. http://hdl.handle.net/10044/1/46703.

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43

Harvey, Timothy Scott. "Protein structure from NMR data." Thesis, University of Oxford, 1991. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.305965.

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44

Daoust, Julie. "Isolation and structure elucidation of bioactive marine natural products." Thesis, University of British Columbia, 2011. http://hdl.handle.net/2429/37536.

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Clionamines A-D (2.6-2.9) are new aminosteroids isolated from South African specimens of the sponge Cliona celata. All four compounds (2.6-2.9) are activators of autophagy in MCF-7 cells. Autophagy is a catabolic process that plays an important role in maintaining cellular homeostasis. Autophagy is also directly involved in the removal of bacterial and viral antigens and in the development of cancerous tumors. The novel sesterterpenoid ansellone A (3.4) was isolated from the nudibranch Cadlina luteomarginata and was later found to have been sequestered by the nudibranch from the sponge Phorbas

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45

Song, Yang. "Protein Primary and Quaternary Structure Elucidation by Mass Spectrometry." The Ohio State University, 2015. http://rave.ohiolink.edu/etdc/view?acc_num=osu1437649750.

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Picheansoonthon, Chayan. "Isolation and structure elucidation of terpenoids from Simsia spp /." The Ohio State University, 1989. http://rave.ohiolink.edu/etdc/view?acc_num=osu1487670346875004.

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47

Bull, Freya Margaret. "Structure elucidation and synthetic studies on the kalimantacin antibiotics." Thesis, University of Bristol, 2016. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.707731.

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48

Esnouf, Robert Mark. "Protein structure from simulated NMR databases." Thesis, University of Oxford, 1992. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.315706.

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49

Hartshorn, Michael John. "Protein structure from NMR derived restraints." Thesis, University of York, 1992. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.316201.

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50

Kamba, Keisuke. "Development of real-time NMR monitoring method and elucidation of the deamination mechanism of APOBEC3G." Kyoto University, 2016. http://hdl.handle.net/2433/215971.

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