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Dissertations / Theses on the topic 'Chemical kinetics. Nuclear magnetic resonance'

Author: Grafiati

Published: 4 June 2021

Last updated: 11 February 2022

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1

Gabriel, Christopher. "Effect of localized structural perturbations on dendrimer structure." Columbus, Ohio : Ohio State University, 2006. http://rave.ohiolink.edu/etdc/view?acc%5Fnum=osu1155662110.

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2

郭伯章 and Bozhang Guo. "NMR spectroscopic and kinetic studies on acyclic and homocyclic enols." Thesis, The University of Hong Kong (Pokfulam, Hong Kong), 1988. http://hub.hku.hk/bib/B31231135.

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3

Guo, Bozhang. "NMR spectroscopic and kinetic studies on acyclic and homocyclic enols /." [Hong Kong : University of Hong Kong], 1988. http://sunzi.lib.hku.hk/hkuto/record.jsp?B12352366.

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4

李耀忠 and Yiu-chung Lee. "NMR spectroscopic and kinetic studies on the hydrolyses of carbohydrate orthoesters." Thesis, The University of Hong Kong (Pokfulam, Hong Kong), 1989. http://hub.hku.hk/bib/B31231615.

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5

Lee, Yiu-chung. "NMR spectroscopic and kinetic studies on the hydrolyses of carbohydrate orthoesters /." [Hong Kong : University of Hong Kong], 1989. http://sunzi.lib.hku.hk/hkuto/record.jsp?B12428589.

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6

Luo, Ying. "Heme Proton Resonance Assignments and Kinetics Study in High-spin and Mixed-spin Metmyoglobin Complexes by Chemical Exchange NMR Spectroscopy." PDXScholar, 1996. https://pdxscholar.library.pdx.edu/open_access_etds/5238.

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NMR studies of paramagnetic hemoproteins have improved significantly our understanding of the structure-function relationship ofhemoproteins in general. Up to date most of the studies focus on low-spin ferric systems which are characterized by relatively narrow resonance peaks and concomitant better resolution. However, characterizing in detail the NMR spectra of high-spin ferric hemoproteins is important since there are several hemoproteins, such as peroxidases, catalases, oxygenases, and some ferricytochromes that contain high-spin iron (III) in their biologically active forms. Yet assigning

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7

吳振平 and Zhen-ping Wu. "NMR spectroscopic and kinetic studies on secondary enamines and unstable dihydroxy derivatives of heterocyclic compounds." Thesis, The University of Hong Kong (Pokfulam, Hong Kong), 1987. http://hub.hku.hk/bib/B3123141X.

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8

Wu, Zhen-ping. "NMR spectroscopic and kinetic studies on secondary enamines and unstable dihydroxy derivatives of heterocyclic compounds /." [Hong Kong : University of Hong Kong], 1987. http://sunzi.lib.hku.hk/hkuto/record.jsp?B12352391.

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9

黃友民 and Youmin Huang. "NMR spectroscopic and kinetic studies on secondary enamines of heterocyclic oximes hydrazones and semicarbazones." Thesis, The University of Hong Kong (Pokfulam, Hong Kong), 1991. http://hub.hku.hk/bib/B31232243.

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10

Molefe, Duduzile Mabel. "Studies directed towards the synthesis of chromone carbaldehyde-derived HIV-1 protease inhibitors." Thesis, Rhodes University, 2008. http://hdl.handle.net/10962/d1015542.

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A series of chromone-3-carbaldehydes have been prepared using Vilsmeier-Haack methodology while a corresponding series of chromone-2-carbaldeydes have been synthesized via the Kostanecki-Robinson reaction. Baylis-Hillman reactions have been conducted on both series of chromone carbaldehydes using three different catalysts, viz., 1,4-diazabicyclo(2.2.2]octane (DABCO), 1,8-diazabicyclo[5.4.0]undec- 7-ene (DBU) and 3-hydroxyquinuclidine (3HQ), and acrylonitrile, methyl acrylate and methyl vinyl ketone as the activated alkenes. These reactions have typically (but not always!) afforded both normal

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11

Chan, Chun Wong Aaron. "Ultraselective nanocatalysts in fine chemical and pharmaceutical synthesis." Thesis, University of Oxford, 2012. http://ora.ox.ac.uk/objects/uuid:866296af-5296-4d2e-8e52-6499dacaef0f.

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Surface catalysed reactions play an important role in chemical productions. Developments of catalyst requiring high activity whilst improving on product selectivity can potentially have a profound effect in the chemical industry. Traditional catalyst modifications were focused on tuning the size, shape and foreign metal doping to form well defined metal nanoparticles of unique functionalities. Here, we show new approach to engineering of metal nanocatalysts via a subsurface approach can modify the chemisorption strength of adsorbates on the surface. Carbon modified nanoparticles were synthesis

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12

Patel, Sunil U. "Nuclear magnetic resonance spectroscopy and ultrasound." Thesis, Aston University, 1989. http://publications.aston.ac.uk/9708/.

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The work described in this thesis is directed to the examination of the hypothesis that ultrasound may be used to perturb molecular motion in the liquid phase. These changes can then be detected by nuclear magnetic resonance (NMR) in spin-lattice and spin-spin relaxation times. The objective being to develop a method capable of reducing the pulsed NMR acquisition times of slowly relaxing nuclei. The thesis describes the theoretical principles underlying both NMR spectroscopy and ultrasonics with particular attention being paid to factors that impinge on testing the above hypothesis. Apparatus

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13

Martin, Gregory Stephen Bernard. "Solid-state nuclear magnetic resonance studies of hydrogen storage materials." Thesis, University of Nottingham, 2014. http://eprints.nottingham.ac.uk/14108/.

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Currently, solid-state nuclear magnetic resonance (NMR) methodology is still evolving. However, this thesis focuses on the application of NMR methods to improving the understanding of solid-state hydrogen storage materials. In particular, this thesis demonstrates how NMR can provide a unique perspective on materials from a molecular level, complementary to other analytical techniques. All of this work has been done in collaboration with other research groups, so effort has been made to interpret the NMR results recorded here in the context of the synthetic methods used and results obtained fro

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14

Bauer, C. J. "Chemical applications of Fourier transform NMR." Thesis, University of Oxford, 1987. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.379926.

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15

Bashyam, Ashvin (Ashvin Reddy). "Nuclear magnetic resonance sensors and methods for chemical sensing in tissue." Thesis, Massachusetts Institute of Technology, 2016. http://hdl.handle.net/1721.1/105679.

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Thesis: S.M., Massachusetts Institute of Technology, Department of Electrical Engineering and Computer Science, 2016.<br>Cataloged from PDF version of thesis.<br>Includes bibliographical references (pages 100-107).<br>Rapid, sensitive, and minimally invasive sensing of metabolites, chemicals, and biological molecules within tissue is a largely unsolved problem. Sensing molecular oxygen, pH, and water content is of particular interest as they have been shown to be useful for improving disease diagnosis and treatment monitoring in a diverse range of medical fields including trauma, solid tumor c

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16

Olsen, Katherine Anna. "NMR studies reveal the kinetics and thermodynamics of hairpin formation /." Thesis, Connect to this title online; UW restricted, 2006. http://hdl.handle.net/1773/8611.

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17

Howard, Mark J. "Evaluation of the sonically induced narrowing of nuclear magnetic resonance spectra of solids." Thesis, Aston University, 1994. http://publications.aston.ac.uk/9601/.

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The Nuclear Magnetic Resonance (NMR) spectra of liquids contain a wealth of quantitative information that may be derived, for instance, from chemical shifts and spin-spin couplings. The available information depends on the incoherent rapid molecular motion that causes complicating effects present in the solid state to average to zero. Whereas liquid state NMR spectra show narrow lines, the corresponding NMR spectra from the solid state are normally composed of exceedingly broad resonance lines due to highly restricted molecular motion. It is, therefore, difficult to obtain directly as detailed

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18

Akpa, Belinda Sena Akosua. "Quantitative, chemically-resolved study of chemical engineering systems using nuclear magnetic resonance." Thesis, University of Cambridge, 2007. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.612860.

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19

Wang, Xinyi. "Characterization of Botanicals by Nuclear Magnetic Resonance and Mass Spectrometric Chemical Profiling." Ohio University / OhioLINK, 2018. http://rave.ohiolink.edu/etdc/view?acc_num=ohiou1521718129716851.

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20

Rouf, S. A. (Syed Awais). "Paramagnetic NMR chemical shift theory:combined ab initio/density-functional theory method." Doctoral thesis, University of Oulu, 2017. http://urn.fi/urn:isbn:9789526216850.

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Abstract In this thesis, the classic Kurland-McGarvey theory for the nuclear magnetic resonance (NMR) chemical shift is presented in a modern framework for paramagnetic systems containing one or more unpaired electrons. First-principles computations are carried out for the NMR shielding tensors in paramagnetic transition-metal complexes. A combined ab initio/density-functional theory (DFT) approach is applied to obtain the necessary electron paramagnetic resonance (EPR) property tensors, i.e., the g-tensor, zero-field splitting tensor (D) and hyperfine coupling tensors (A). In DFT, both the ge

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21

Robustelli, Paul. "Protein structure determination from NMR chemical shifts." Thesis, University of Cambridge, 2010. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.609027.

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22

Aslam, Nabeel [Verfasser], and Jörg [Akademischer Betreuer] Wrachtrup. "Nanoscale nuclear magnetic resonance with chemical structure resolution / Nabeel Aslam ; Betreuer: Jörg Wrachtrup." Stuttgart : Universitätsbibliothek der Universität Stuttgart, 2018. http://d-nb.info/119609540X/34.

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23

Ironside, Matthew Stuart. "Accurate measurement of chemical shift anisotropy in solid-state nuclear magnetic resonance spectroscopy." Thesis, University of Cambridge, 2010. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.608484.

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24

Eicher, Johann Josef. "Understanding glycolysis in Escherichia coli : a systems approach using nuclear magnetic resonance spectroscopy." Thesis, Stellenbosch : Stellenbosch University, 2013. http://hdl.handle.net/10019.1/85730.

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Thesis (PhD)--Stellenbosch University, 2013.<br>ENGLISH ABSTRACT: This dissertation explores the behaviour and regulation of central carbon metabolism in Escherichia coli K12 W3110 under fermentative microaerobic conditions. To achieve this, an integrative systems modelling approach was adopted, which is introduced in Chapter 1 along with a review of metabolism in E. coli. An open-source software suite NMRPy, developed using the Python programming language, is presented in Chapter 2. NMRPy provides a host functions for basic processing, analysis and visualisation of Nuclear Magnetic Reson

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25

Hazendonk, Paul. "Nuclear magnetic resonance studies of chemical exchange in solution and simulation of chemical exchange in rotating solids." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 2000. http://www.collectionscanada.ca/obj/s4/f2/dsk1/tape3/PQDD_0031/NQ66271.pdf.

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26

Pechkis, Daniel Lawrence. "First-principles Calculations of Nuclear Magnetic Resonance Chemical Shielding Tensors in Complex Ferroelectric Perovskites." W&M ScholarWorks, 2011. https://scholarworks.wm.edu/etd/1539623590.

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Nuclear magnetic resonance (NMR) spectroscopy is one of the most important experimental probes of local atomistic structure, chemical ordering, and dynamics. Recently, NMR has increasingly been used to study complex ferroelectric perovskite alloys, where spectra can be difficult to interpret. First-principles calculations of NMR spectra can greatly assist in this task. In this work, oxygen, titanium, and niobium NMR chemical shielding tensors, s&d4; , were calculated with first-principles methods for ferroelectric transition metal prototypical ABO3 perovskites [SrTiO3, BaTiO 3, PbTiO3 and Pb

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27

Campbell, Susan Christina. "Pharmaceutical polymorphism : an investigation using solid-state nuclear magnetic resonance spectroscopy." Thesis, Durham University, 1998. http://etheses.dur.ac.uk/5021/.

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The study of two pharmaceutically active systems that each display polymorphism has provided a platform upon which to develop and apply solid-state NMR techniques in order to increase the understanding of the solid-state structure of small organic molecules. The multidisciplinary approach adopted has highlighted the advantages of solid-state NMR as a non-invasive probe of molecular conformation and crystallographic packing.Carbon-13 CP/MAS spectra of the two polymorphs of BRL55834 - a fluorinated benzopyran derivative - immediately suggest the presence of one and three molecules in the asymmet

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28

Lai, Jinfeng. "Models of chemical structure and dynamics via nuclear magnetic resonance and ab initio computational chemistry." Diss., [Riverside, Calif.] : University of California, Riverside, 2009. http://proquest.umi.com/pqdweb?index=0&did=1899476641&SrchMode=2&sid=1&Fmt=2&VInst=PROD&VType=PQD&RQT=309&VName=PQD&TS=1269360290&clientId=48051.

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Thesis (Ph. D.)--University of California, Riverside, 2009.<br>Includes abstract. Available via ProQuest Digital Dissertations. Title from first page of PDF file (viewed March 10, 2010). Includes bibliographical references. Also issued in print.

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29

Leyva, Zegarra Vanessa Elsie. "Nuclear magnetic resonance and high performance liquid chromatography chemical analysis of peruvian roasted coffee beans." Master's thesis, Pontificia Universidad Católica del Perú, 2013. http://hdl.handle.net/20.500.12404/16109.

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Coffee is the most traded agricultural commodity in the world. Currently, Peru is considered the third principal producer of Coffea arabica in South America, and the sixth worldwide, accounting for 6 % of the global production. However, most of the coffee (~ 99 %) is exported as green beans due, in part, to the fact that the local quality control of the roasting process is not yet optimal. Hence, it is crucial to develop a more standardized process for the quality control of roasted coffee beans that will allow local Peruvian coffee farmers to introduce to the market a more valuable produ

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30

Hepworth, Stephen J. "Investigations into polymer gel dosimetry using magnetic resonance imaging." Thesis, University of Surrey, 2000. http://epubs.surrey.ac.uk/978/.

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31

Fesinmeyer, Robert Matthew. "Chemical shifts define the structure and folding thermodynamics of polypeptides /." Thesis, Connect to this title online; UW restricted, 2005. http://hdl.handle.net/1773/11621.

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32

Neidigh, Jonathan Wesley. "Chemical shift tools in peptide folding and miniature protein design /." Thesis, Connect to this title online; UW restricted, 1999. http://hdl.handle.net/1773/8701.

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33

Gibson, David. "Investigating the kinetics and structural effects of azo dye photochemistry using NMR with in situ laser irradiation and ab initio (DFT) calculations." Thesis, University of Edinburgh, 2007. http://hdl.handle.net/1842/2439.

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Reversible cis-trans isomerisation of a series of commercially interesting yellow azo dyes has been studied using the technique of Nuclear Magnetic Resonance (NMR) spectroscopy with in situ laser irradiation. Photostationary state (PSS) spectra of the azo dyes, provided by coupling laser irradiation into the sample within the probe of the NMR spectrometer, have allowed observation of azo cis isomer species that would otherwise elude detection and characterisation by NMR due to their rapid thermal decay times. The NMR results have been combined with geometry optimised structures obtained throug

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34

Williams, Simon-Peter. "Studies of enzyme kinetics and aspects of enzyme structure in vivo using NMR and molecular genetics." Thesis, University of Oxford, 1992. http://ora.ox.ac.uk/objects/uuid:d8baa574-a5d4-45a2-95a2-c141fbf8d277.

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A quantitative understanding of metabolic control depends on a knowledge of the enzymes involved. The extrapolation of studies in vitro to the intact cell is controversial because the intracellular environment is relatively poorly characterised, particularly with respect to the interactions between weakly-associated enzymes. There is a clear need to study enzymes directly in the cell, yet there are few suitable techniques. Metabolites have been very successfully studied in cells by the non-invasive technique of nuclear magnetic resonance (NMR). NMR studies of enzymes in the cell have, however,

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35

Selent, A. (Anne). "Remote detection NMR imaging of chemical reactions and adsorption phenomena." Doctoral thesis, Oulun yliopisto, 2017. http://urn.fi/urn:isbn:9789526217055.

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Abstract The subject of this thesis is the characterization of chemical reactions and adsorption by means of remote detection (RD) method of nuclear magnetic resonance (NMR). The thesis consists of three related topics: In the first one, novel RD NMR based methods for characterizing chemical reactions were presented. In the second topic RD NMR methods were used to study the performance of new kind of microfluidic reactors. The third project concentrated on the development of a novel way to quantify the adsorption of flowing gas mixtures in porous materials. Even though all the topics cover qui

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36

Gaul, David Allen. "Synthetic, mechanistic, structural, and dynamic NMR investigations of zinc bis(amide) compounds." Diss., Georgia Institute of Technology, 1998. http://hdl.handle.net/1853/30741.

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37

Msayib, Yunus. "Quantifying impaired metabolism following acute ischaemic stroke using chemical exchange saturation transfer magnetic resonance imaging." Thesis, University of Oxford, 2017. http://ora.ox.ac.uk/objects/uuid:a98323ce-5998-436d-bca4-09df549cf191.

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In ischaemic stroke a disruption of cerebral blood flow leads to impaired metabolism and the formation of an ischaemic penumbra in which tissue at risk of infarction is sought for clinical intervention. In stroke trials, therapeutic intervention has largely been based on perfusion-weighted measures, but these have not been shown to be good predictors of tissue outcome. The aim of this thesis was to develop analysis techniques for magnetic resonance imaging (MRI) of chemical exchange saturation transfer (CEST) in order to quantify metabolic signals associated with tissue fate in patients with a

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38

Black, Mairi J. "Structural characterisation of the polysaccharides of Plantago ovata Forsk. seed husk using nuclear magnetic resonance and physico-chemical methods." Thesis, University of Strathclyde, 2001. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.248305.

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39

Williams, Duane E. "Parameterization of semiempirical quantum mechanical methods for the prediction of nuclear magnetic resonance chemical shifts in biologically relevant systems." [Gainesville, Fla.] : University of Florida, 2009. http://purl.fcla.edu/fcla/etd/UFE0024844.

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40

Anttila, Raimo. "Complexation thermodynamics of aluminum, beryllium, dioxouranium, and lanthanoids with ligands containing hard donor atoms." Oulu, Finland : Dept. of Chemistry, University of Oulu, 1992. http://catalog.hathitrust.org/api/volumes/oclc/35165443.html.

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41

Driega, Alex B. (Alexander Brooke) Carleton University Dissertation Chemistry. "An analysis of factors contributing to isotropic [superscript] 13C shifts in 1,2- Dialkoxybenzene and Cyclohexane derivatives." Ottawa, 1992.

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42

Peng, Yung-Kang. "Surface mapping of faceted metal oxides by chemical probe-assisted NMR for catalytic applications." Thesis, University of Oxford, 2017. https://ora.ox.ac.uk/objects/uuid:7b56021f-71fb-437b-8c6b-0569705ef68e.

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Semiconductive metal oxides are of great importance in environmental remediation and electronics because of their ability to generate charge carriers when excited with appropriate energy. The electronic structure, light absorption and charge transport properties have made the transition metal oxides an attractive material as photocatalyst. Recently, facet-engineering by morphology control has been intensively studied as an efficient approach to further enhance their photocatalytic performance. However, various processing steps and post-treatments used in the preparation of facet-engineered par

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43

Chapman, Rebecca. "Development and Application of Chlorine Solid-State Nuclear Magnetic Resonance and Quantum Chemical Calculations to the Study of Organic and Inorganic Systems." Thèse, Université d'Ottawa / University of Ottawa, 2012. http://hdl.handle.net/10393/20555.

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Chlorine solid-state nuclear magnetic resonance (SSNMR) is an ideal site specific probe of chloride-containing solids as SSNMR tensor properties are sensitive to the local chlorine environment. In this thesis, the development and use of chlorine SSNMR as a method to characterize a wide variety of chemical environments was explored. Ultrahigh field, and multi-field studies were essential to overcome the difficulties associated with the collection of chlorine SSNMR spectra. Benchmark chemical shift (CS) and electric field gradient (EFG) tensor data were collected for organic chloride sys

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44

O'Kennedy, Sean James. "A kinetic and thermodynamic study of procyanidin oligomer conformation by 1H NMR and DFT." Thesis, Stellenbosch : Stellenbosch University, 2015. http://hdl.handle.net/10019.1/98054.

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45

Brunetti, Emilio. "Development and physicochemical characterization of calix[6]arene based chemical recognition systems." Doctoral thesis, Universite Libre de Bruxelles, 2016. http://hdl.handle.net/2013/ULB-DIPOT:oai:dipot.ulb.ac.be:2013/240961.

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Synthetic molecular receptors find applications in the selective extraction, transport and detection of neutral or charged species and the study of these systems is an important facet of supramolecular chemistry. In this thesis, we focused our attention on a specific family of molecular receptors called calix[6]arenes. These receptors possess a hydrophobic cavity formed by 6 aromatic rings that can accommodate small organic molecules. They can furthermore be easily functionalized and give rise to for example ditopic receptors or sensing systems. We worked with two families of calix[6]arenes bu

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46

Castro, Aguilera Abril Carolina. "Computational study of nuclear magnetic shielding constants." Doctoral thesis, Universitat de Girona, 2017. http://hdl.handle.net/10803/565597.

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Nuclear Magnetic Resonance (NMR) spectroscopy is an indispensable structural tool in the modern analytical arsenal of chemists and structural biologists. The present thesis is a computational study of the NMR shift constants in a number of chemical systems of interest, using both static and dynamic approaches via Density Functional Theory, to predict, confirm the presence of transient species, and/or explain ambiguous signals in the NMR spectra. Special attention was put on cases where there are strong interactions between the solvent and the molecule studied. In addition, this thesis addresse

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47

ARAUJO, ELAINE B. de. "Conjuntos de reativos liofilizados de compostos diaminoditiolicos para marcacao com tecnecio-99m .Estudo farmacocinetico e elaboracao de modelos compartimentalizados dos respectivos complexos." reponame:Repositório Institucional do IPEN, 1995. http://repositorio.ipen.br:8080/xmlui/handle/123456789/10430.

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Made available in DSpace on 2014-10-09T12:38:37Z (GMT). No. of bitstreams: 0<br>Made available in DSpace on 2014-10-09T14:05:27Z (GMT). No. of bitstreams: 1 06044.pdf: 6865948 bytes, checksum: a08cf9df31bad7efc0884ad8cc855442 (MD5)<br>Tese (Doutoramento)<br>IPEN/T<br>Instituto de Pesquisas Energeticas e Nucleares - IPEN/CNEN-SP

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48

Dumez, Jean-Nicolas. "Many body dynamics in nuclear spin diffusion." Phd thesis, Ecole normale supérieure de lyon - ENS LYON, 2011. http://tel.archives-ouvertes.fr/tel-00657067.

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Since its introduction by Bloembergen in 1949, nuclear spin diffusion has been a topic of significant interest in magnetic resonance. Spin diffusion, which can be defined as the transfer of spin polarisation induced by the dipolar interaction, is a ubiquitous transport mechanism in solids. Experimental observations of spin diffusion contain structural information. However, the many-body nature of the problem makes it difficult to describe from first principles. The central goal of this thesis is to obtain a quantitative description of the spin diffusion phenomenon from first-principles, throug

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49

Tan, Paul S. G. "Phosphorus 31 nuclear magnetic resonance study of the mechanism and kinetics of the hydrolysis of zinc (II) O,O'-dialkyl dithiophosphate, its basic salt and some related compounds." Thesis, University of Edinburgh, 1990. http://hdl.handle.net/1842/14518.

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S1P n.m.r. spectroscopy was used to investigate the mechanism and kinetics of hydrolysis of zinc (II) O,O'-dialkyl dithiophosphates (ZDTP's) in aqueous 1,2-dimethyoxyethane solution at 85°C. All the major intermediates and products were identified and the relative reaction rates of the key steps in the hydrolysis determined. Diethyl ZDTP was found to be hydrolysed (k= 2.35 x 10~4 s"1) to phosphoric acid via O,O'-diethyl dithiophosphoric acid 9ktyj = 1.35 x 10~2 s"1) and thiophosphoric acid (kfcyj = 0.78 x 10~6 s"1); O-ethyl dithiophosphoric acid and dithiophosphoric acid were found to be inter

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50

Cameron, Linda. "Elucidation of the sequence selective binding mode of the DNA minor groove binder adozelesin, by high-field ¹H NMR and restrained molecular dynamics." Thesis, University of Bath, 1999. https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.311174.

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