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Relevant bibliographies by topics / 13C NMR chemical / Dissertations / Theses

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Dissertations / Theses on the topic '13C NMR chemical'

Author: Grafiati

Published: 5 June 2025

Last updated: 1 August 2025

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Consult the top 17 dissertations / theses for your research on the topic '13C NMR chemical.'

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1

Schahl, Adrien. "Interactions polysaccharides-lipides : étude théorique et expérimentale combinant calculs de dynamique moléculaire, calculs quantiques de spectres RMN 13C et RMN 13C à l'état solide." Thesis, Toulouse 3, 2020. http://www.theses.fr/2020TOU30178.

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Les interactions entre polysaccharides et lipides forment aujourd'hui un vaste domaine d'étude, présentant notamment un intérêt particulier pour les industries alimentaires et pharmaceutiques. Nous savons que l'amylose, un polysaccharide composé de résidus glucose branchés en [apha 1→4] essentiellement linéaire, peut encapsuler de petites molécules hydrophobes formant ce qu'on appelle un polymorphe V. L'étude de ce type de complexes pourrait permettre de développer de nouvelles voies de formulations de substances bioactives ou de nouveaux adjuvants de vaccins. Ce type d'interactions pourraient

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2

CIMO', Giulia. "CHARACTERIZATION OF CHEMICAL AND PHYSICAL PROPERTIES OF BIOCHAR FOR ENERGY PURPOSES AND ENVIRONMENTAL RESTORATION." Doctoral thesis, Università degli Studi di Palermo, 2014. http://hdl.handle.net/10447/90867.

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Biochar production processes as well as its various applications provide numerous benefits to both environment and economy (Lehmann et al., 2006; Basu, 2010). However, understanding the physicochemical structure of this valuable product has to be improved in order to be able to obtain the aforementioned benefits and to avoid environmental costs. In this study, chicken or poultry manure (PM) was chosen as feedstock for biochar preparation. This biomass is traditionally used by farmers as an effective organic fertilizer (Chan et al., 2

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3

Angueira, Ernesto J. "Novel Superacidic Ionic Liquid Catalysts for Arene Functionalization." Diss., Georgia Institute of Technology, 2005. http://hdl.handle.net/1853/7651.

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There is a continuing interest in the subject of arene carbonylation, especially in strong acids and environmentally-benign alternatives are sought to HF/BF3 and to AlCl3 as conversion agents. Ionic liquids offer a powerful solvent for useful conversion agents such as aluminum chloride. The ILs permit AlCl3 to be used at lower HCl partial pressures than with other solvents. The superior reactivity demonstrated by acidic, chloroaluminate ILs is probably due to their enhanced solvation power for HCl and CO. Addition of HCl gas increased reactivity of the system by forming Brnsted acids, and

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4

Portieri, Alessia. "Solid state NMR of sulfa-drugs." Thesis, Durham University, 2001. http://etheses.dur.ac.uk/3781/.

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This work has been a study of systems, mostly of sulfa-drugs, showing polymorphic behaviour. Using different means as solid state NMR, X-ray analysis, and theoretical calculations, we have seen how it is possible to understand results obtained from the different techniques, proving how the study of polymorphic systems needs cooperative advice from the different techniques that are able to detect polymorphic differences. Within the sulfa-drugs I have been mostly concentrating on sulfanilamide, studying (^13)C and (^15)N solid state NMR spectra of the different polymorphs. The NMR parameters tha

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5

Cantalapiedra, Nuria Aboitiz. "Intramolecular hydrogen-bonding studies by NMR spectroscopy." Thesis, University of Liverpool, 2000. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.366715.

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6

Southern, Scott Alexander. "Investigations of Non-Covalent Carbon Tetrel Bonds by Computational Chemistry and Solid-State NMR Spectroscopy." Thesis, Université d'Ottawa / University of Ottawa, 2016. http://hdl.handle.net/10393/34408.

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Non-covalent bonds are an important class of intermolecular interactions, which result in the ordering of atoms and molecules on the supramolecular scale. One such type of interaction is brought about by the bond formation between a region of positive electrostatic potential (σ-hole) interacts and a Lewis base. Previously, the halogen bond has been extensively studied as an example of a σ-hole interaction, where the halogen atom acts as the bond donor. Similarly, carbon, and the other tetrel elements can participate in σ-hole bonds. This thesis explores the nature of the carbon tetrel bond thr

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7

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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8

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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9

Laguerre, Albert. "Oligomerisation et fonctionnalisation en serie methacrylique : greffage d'acides alpha amines." Le Mans, 1987. http://www.theses.fr/1987LEMA1017.

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Oligomerisation anionique du methacrylate de methyle. Modification des fonctions ester en fonctions plus reactions (alcool, chloroformiate, acide). Greffage d'aminoacides dont une seule fonction est libre pour eviter leur oligocondensation. Caracterisations des produits obtenus par rmn**(13)c, **(1)h et ir. Utilisation de ces produits pour la synthese de polyamides et de polyurethannes optiquement actifs

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10

Boivin, Sylviane. "Modification chimique du polychloroformiate de vinyle dans les conditions de la catalyse par transfert de phase : étude d'un nouveau complexe de transfert de charge macromoléculaire à base de carbazole." Paris 6, 1986. http://www.theses.fr/1986PA066482.

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11

Goutte, Pascale. "Synthese et proprietes de polyoxirannes et polythiirannes porteurs de fonctions aldehyde potentielles." Paris 6, 1988. http://www.theses.fr/1988PA066266.

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Synthese et polymerisation de diethoxy-1,1 epoxy-2,3 et diethoxy-1,1 epithio-2,3 propane racemiques en vue de preparer des polyethers et polythioethers ayant des fonctions aldehydes dans la chocine laterale

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12

Woo, Tom K., Peter Dornan, and Saman Alavi. "COMPUTATIONAL CHARACTERIZATION OF 13C NMR LINESHAPES OF CARBON DIOXIDE IN STRUCTURE I CLATHRATE HYDRATES." 2008. http://hdl.handle.net/2429/1276.

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Nonspherical large cages in structure I (sI) clathrates impose non-uniform motion of nonspherical guest molecules and anisotropic lineshapes in NMR spectra of the guest. In this work, we calculate the lineshape anisotropy of the linear CO2 molecule in large sI clathrate cages based on molecular dynamics simulations of this inclusion compound. The methodology is general and does not depend on the temperature and type of inclusion compound or guest species studied. The nonspherical shape of the sI clathrate hydrate large cages leads to preferential alignment of linear CO2 molecules in directions

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13

Shukla, A., E. Khan, K. Srivastava, K. Sinha, P. Tandon, and Venu R. Vangala. "Study of hydrogen bonding interactions and chemical reactivity analysis of nitrofurantoin–3-aminobenzoic acid cocrystal using quantum chemical and spectroscopic (IR, Raman, 13C SS-NMR) approaches." 2017. http://hdl.handle.net/10454/12402.

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Yes<br>Investigations of structural reactivity, molecular interactions and vibrational characterization of pharmaceutical drugs are helpful in understanding their behaviour. The aim of this study is to determine the molecular, electronic and chemical properties of the antibiotic drug nitrofurantoin (NF), after cocrystallisation with 3-aminobenzoic acid (3ABA) and to understand how those changes lead to variation of properties in the cocrystal NF–3ABA. NF–3ABA formation is explained by stabilization via the hydrogen-bond network between NF and 3ABA molecules. It is thoroughly characterized by I

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14

El-Rifai, Hasan M. "Assessment of the utility of chemical pretreatments for estimating carbon and phosphorus sequestration in soils by 13C and 31P NMR spectrscopy [sic]." 2007. http://etd.lib.fsu.edu/theses/available/etd-07052007-210258.

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Thesis (Ph. D.)--Florida State University, 2007.<br>Advisor: William T. Cooper, Florida State University, College of Arts of Sciences, Dept. of Chemistry and Biochemistry. Title and description from dissertation home page (viewed Sept. 17, 2007). Document formatted into pages; contains xiv, 100 pages. Includes bibliographical references.

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15

Shukla, A., E. Khan, M. H. D. Bashir Alsirawan, R. Mandal, P. Tandon, and Venu R. Vangala. "Spectroscopic (FT-IR, FT-Raman, and 13C SS-NMR) and quantum chemical investigations to provide structural insights into nitrofurantoin–4-hydroxybenzoic acid cocrystals." 2019. http://hdl.handle.net/10454/17019.

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Yes<br>Cocrystallization is an attractive approach to improving the physicochemical properties of active pharmaceutical ingredients (APIs), which have great potential in drug development. Accordingly, there is a growing need to understand the physicochemical changes that occur upon co-crystallisation. This work focuses on the combined use of spectroscopy and density functional theory (DFT) calculations to understand the molecular structure, hydrogen bond interactions and physicochemical properties of a pharmaceutical cocrystal. Solid-state NMR (ssNMR) spectroscopy can provide detailed molecula

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16

Lobo, Nitin Prakash. "NMR Methods For The Study Of Partially Ordered Systems." Thesis, 2012. https://etd.iisc.ac.in/handle/2005/2588.

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The work presented in this thesis has two parts. The first part deals with methodological developments in the area of solid-state NMR, relevant to the study of partially ordered systems. Liquid crystals are best examples of such partially ordered systems and they are easily oriented by the magnetic field used for the NMR study. They provide spectra rich in information useful for the study of structure and dynamic s of the oriented molecule. Dipolar couplings and anisotropic chemical shifts are relatively easy to obtain for these systems. However, the methodologies used for extracting the requi

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17

Lobo, Nitin Prakash. "NMR Methods For The Study Of Partially Ordered Systems." Thesis, 2012. http://hdl.handle.net/2005/2588.

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The work presented in this thesis has two parts. The first part deals with methodological developments in the area of solid-state NMR, relevant to the study of partially ordered systems. Liquid crystals are best examples of such partially ordered systems and they are easily oriented by the magnetic field used for the NMR study. They provide spectra rich in information useful for the study of structure and dynamic s of the oriented molecule. Dipolar couplings and anisotropic chemical shifts are relatively easy to obtain for these systems. However, the methodologies used for extracting the requi

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