subject:(NMR Spectroscopy)

1. Schumaker, Joshua E. Quantification Of Lignin Hydroxyl Containing Functional Groups Via 31p{1h} Nmr Spectroscopy And Synthesis Of Lignin Degradation Standards.

Degree: MS, Chemistry, 2017, University of North Dakota

URL: https://commons.und.edu/theses/2337

► The focus of this thesis is on the structural characterization of lignin, a complex phenol-based heteropolymer. In the first part of the study, functionalization… (more)

Subjects/Keywords: NMR Spectroscopy; P NMR; Standards; Synthesis

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APA (6^th Edition):

Schumaker, J. E. (2017). Quantification Of Lignin Hydroxyl Containing Functional Groups Via 31p{1h} Nmr Spectroscopy And Synthesis Of Lignin Degradation Standards. (Masters Thesis). University of North Dakota. Retrieved from https://commons.und.edu/theses/2337

Chicago Manual of Style (16^th Edition):

Schumaker, Joshua E. “Quantification Of Lignin Hydroxyl Containing Functional Groups Via 31p{1h} Nmr Spectroscopy And Synthesis Of Lignin Degradation Standards.” 2017. Masters Thesis, University of North Dakota. Accessed April 13, 2021. https://commons.und.edu/theses/2337.

MLA Handbook (7^th Edition):

Schumaker, Joshua E. “Quantification Of Lignin Hydroxyl Containing Functional Groups Via 31p{1h} Nmr Spectroscopy And Synthesis Of Lignin Degradation Standards.” 2017. Web. 13 Apr 2021.

Vancouver:

Schumaker JE. Quantification Of Lignin Hydroxyl Containing Functional Groups Via 31p{1h} Nmr Spectroscopy And Synthesis Of Lignin Degradation Standards. [Internet] [Masters thesis]. University of North Dakota; 2017. [cited 2021 Apr 13]. Available from: https://commons.und.edu/theses/2337.

Council of Science Editors:

Schumaker JE. Quantification Of Lignin Hydroxyl Containing Functional Groups Via 31p{1h} Nmr Spectroscopy And Synthesis Of Lignin Degradation Standards. [Masters Thesis]. University of North Dakota; 2017. Available from: https://commons.und.edu/theses/2337

2. Mavrogenis, Andreas. Φασματοσκοπική μελέτη της επίδρασης των ακτινοβολιών στον ανθρώπινο αρθρικό χόνδρο.

Degree: 2016, National Technical University of Athens (NTUA); Εθνικό Μετσόβιο Πολυτεχνείο (ΕΜΠ)

URL: http://hdl.handle.net/10442/hedi/38004

► In the present study, we used Fourier transform infrared spectroscopy in combination with high resolution optical microscope and Scanning Electron Microscopy (SEM) for the in… (more)

▼ In the present study, we used Fourier transform infrared spectroscopy in combination with high resolution optical microscope and Scanning Electron Microscopy (SEM) for the in vitro evaluation of the effects of ionizing radiation on articular cartilage, the interface with the bone as well as the bone tissue itself, in order to understand the chemical mechanism of the radiation therapy induced damage.From the intensity changes of the characteristic absorption bands and the appearance of new bands in the region between 4000-2800 cm-1, it was suggested that the damage caused to small doses of radiation up to 6 Gy are the cleavages of hydrogen bonds of glycosaminoglycans (hyaluronic acid) and collagenous proteins.The fragments of collagen and hyaluronic acid reacted together by co-polymerization to form products leading to decrease the viscosity of cartilage and thus increasing friction and finally damage of the cartilage. These results were confirmed by comparison of the spectra from arthritic or cancerous cartilage from respective patients.Changes in the spectral region between 1800-1400 cm-1, where the characteristic bending vibration bands of collagen and non-cola gene proteins absorb, showed the destruction of their secondary structure from a helix, which is prevalent in the normal configuration, in a random coil after the influence of ionizing radiation. Increasing the radiation dose, amyloid-like proteins are produced from the interactions between the protein fragments, due to hydroxyl free radicals and protein interactions.The appearance of the band at 1742 cm-1 suggests the peroxidation of cell membranes and is caused by the presence of oxygen, which, as the free biradical contributes to further destruction due to ionizing radiation. The band is attributed to malondialdehyde formation, a compound that is used as marker for the disease progression.In the spectral region 1400-900 cm-1, the characteristic vibration of -C-O-C- sugar groups are found. The increasing of the intensities of these bands is related with D-sugar molecules, as a result of polysaccharide chain brakes. The intensities of these bands depend on the radiation dose and increase proportionally to doses of about 9 Gy. In higher doses it was observed that the produced mediated-organic free radicals of the biological molecules react further with essential biomolecules alterating the toxic effect of radiation. In the region between 1300-900 cm-1, the carbohydrate spectral bands coexist with the stretching vibrations of phosphate groups of hydroxyapatite bone. From the shape of bands and the positions of the absorption maxima showing the amorphous calcium phosphate formation [Ca3(PO4)2] as a result of free calcium ions (Ca2+) of the cartilage with the phosphate groups of membrane phospholipids fragments.The FT-IR spectra of irradiated cartilage were also compared with those resulting from osteoarthritic and cancerous cartilage, and was found that the spectra showed similarities indicating that the reactive species of hydroxyl radicals, electrons and…

Subjects/Keywords: 2D - 1H-NMR φασματοσκοπία; 13C NMR spectroscopy

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APA (6^th Edition):

Mavrogenis, A. (2016). Φασματοσκοπική μελέτη της επίδρασης των ακτινοβολιών στον ανθρώπινο αρθρικό χόνδρο. (Thesis). National Technical University of Athens (NTUA); Εθνικό Μετσόβιο Πολυτεχνείο (ΕΜΠ). Retrieved from http://hdl.handle.net/10442/hedi/38004

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Mavrogenis, Andreas. “Φασματοσκοπική μελέτη της επίδρασης των ακτινοβολιών στον ανθρώπινο αρθρικό χόνδρο.” 2016. Thesis, National Technical University of Athens (NTUA); Εθνικό Μετσόβιο Πολυτεχνείο (ΕΜΠ). Accessed April 13, 2021. http://hdl.handle.net/10442/hedi/38004.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Mavrogenis, Andreas. “Φασματοσκοπική μελέτη της επίδρασης των ακτινοβολιών στον ανθρώπινο αρθρικό χόνδρο.” 2016. Web. 13 Apr 2021.

Vancouver:

Mavrogenis A. Φασματοσκοπική μελέτη της επίδρασης των ακτινοβολιών στον ανθρώπινο αρθρικό χόνδρο. [Internet] [Thesis]. National Technical University of Athens (NTUA); Εθνικό Μετσόβιο Πολυτεχνείο (ΕΜΠ); 2016. [cited 2021 Apr 13]. Available from: http://hdl.handle.net/10442/hedi/38004.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Mavrogenis A. Φασματοσκοπική μελέτη της επίδρασης των ακτινοβολιών στον ανθρώπινο αρθρικό χόνδρο. [Thesis]. National Technical University of Athens (NTUA); Εθνικό Μετσόβιο Πολυτεχνείο (ΕΜΠ); 2016. Available from: http://hdl.handle.net/10442/hedi/38004

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

3. Hilliard, Casie Renee. Diphosphine Dioxide Cages and Hydrogen Peroxide Adducts of Phosphine Oxides: Syntheses and Applications in Surface Science.

Degree: 2013, Texas Digital Library

URL: http://hdl.handle.net/1969; http://hdl.handle.net/2249.1/66800

► Understanding the adsorption of phosphine oxides on silica surfaces has a threefold incentive. (a) Efficiently removing phosphine oxides from reaction mixtures is crucial after many… (more)

▼ Understanding the adsorption of phosphine oxides on silica surfaces has a threefold incentive. (a) Efficiently removing phosphine oxides from reaction mixtures is crucial after many synthetic procedures, for example the Wittig reaction. (b) Using the P=O group for probing the surface acidity of oxides. (c) Most importantly, getting more insight regarding the nature of the P=O/surface interaction. Hereby, the mobility of the adsorbed species is of fundamental interest. In the classical 31P MAS and in HRMAS NMR spectra the reduction of the originally large CSA, the residual halfwidth, as well as the downfield shift of the signals when adsorbing phosphine oxides on silica surfaces are most indicative. This research provides new insights regarding the strength of the phosphine oxide adsorption on various silica surfaces and the diverse modes of mobility. Furthermore, an oxidation procedure for the synthesis of a variety of phosphine oxides, including the model compounds used for the adsorption studies, has been developed. It yields the well-defined H2O2 adducts as key intermediates, which have been fully characterized and methods for their controlled and efficient decomposition are described. For adsorbed phosphine oxides, the changes of the 31P solid-state NMR signals as compared to the polycrystalline materials can stem from both the translational mobility of the compound across the silica surface and the interaction of the P=O group with the silanol groups of the silica. Molecules containing two phosphine oxide groups, one of them being sterically prevented from interacting with the surface, are target compounds for the adsorption studies. Since the P nuclei are bound within the same molecule, both experience the same translational mobility, but only one P=O group can undergo quaternization by contact with the surface. Therefore, the contribution of each factor to the CSA reduction upon adsorption can be determined. The diphosphine cages and their dioxides can serve as such probe molecules and their adsorption on silica has been examined. Since none of these small cages, containing five to twelve methylene groups in each alkyl chain, are presently known in the literature, a new synthetic route to access the diphosphine cage derivatives, namely the dioxide cages, had to be explored. Employing Fe gyroscopes as starting materials and releasing the phosphine oxides from the metal center to form the dioxide cage molecules is most effective and will be highlighted. Having synthesized the diphosphine dioxide cages, their 31P MAS NMR characteristics in the polycrystalline and surface-adsorbed states will be discussed in detail. In summary, the two largest diphosphine dioxide cages adsorbed on silica only show one signal in the 31P solid-state NMR spectra, indicating both sides of each cage are interacting with the support. On the other hand, the smallest cage, containing 10 methylene groups in each alkyl chain, when adsorbed results in two distinct signals in the 31P solid-state NMR spectra, meaning one P=O group is adsorbed… Advisors/Committee Members: Bluemel, Janet (advisor).

Subjects/Keywords: solid-state NMR spectroscopy

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APA (6^th Edition):

Hilliard, C. R. (2013). Diphosphine Dioxide Cages and Hydrogen Peroxide Adducts of Phosphine Oxides: Syntheses and Applications in Surface Science. (Thesis). Texas Digital Library. Retrieved from http://hdl.handle.net/1969; http://hdl.handle.net/2249.1/66800

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Hilliard, Casie Renee. “Diphosphine Dioxide Cages and Hydrogen Peroxide Adducts of Phosphine Oxides: Syntheses and Applications in Surface Science.” 2013. Thesis, Texas Digital Library. Accessed April 13, 2021. http://hdl.handle.net/1969; http://hdl.handle.net/2249.1/66800.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Hilliard, Casie Renee. “Diphosphine Dioxide Cages and Hydrogen Peroxide Adducts of Phosphine Oxides: Syntheses and Applications in Surface Science.” 2013. Web. 13 Apr 2021.

Vancouver:

Hilliard CR. Diphosphine Dioxide Cages and Hydrogen Peroxide Adducts of Phosphine Oxides: Syntheses and Applications in Surface Science. [Internet] [Thesis]. Texas Digital Library; 2013. [cited 2021 Apr 13]. Available from: http://hdl.handle.net/1969; http://hdl.handle.net/2249.1/66800.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Hilliard CR. Diphosphine Dioxide Cages and Hydrogen Peroxide Adducts of Phosphine Oxides: Syntheses and Applications in Surface Science. [Thesis]. Texas Digital Library; 2013. Available from: http://hdl.handle.net/1969; http://hdl.handle.net/2249.1/66800

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

4. Ghaoui, Nora. Process Applications of NMR.

Degree: PhD, 2001, Cambridge University

URL: https://www.repository.cam.ac.uk/handle/1810/307040

► This thesis describes applications of NMR techniques to flowing liquid streams to obtain quantitative information about the contents of the streams. The quantitative accuracy of… (more)

▼ This thesis describes applications of NMR techniques to flowing liquid streams to obtain quantitative information about the contents of the streams. The quantitative accuracy of NMR spectroscopy for composition measurement of liquid mixtures is measured as ±0.34 mol% and ±1 mol% for static and flowing mixtures respectively. The effects of flow on NMR spectroscopy are analysed using the residence time distributions of the streams in the magnet and the detection coil. Algorithms are developed for automated analysis of the NMR spectra of the mixtures, in which automatic phase and baseline correction are performed together. A peak-assignment algorithm is written that identifies components in a mixture based on the patterns observed in the pure-component spectra. Automated composition analysis of mixture spectra is performed using these algorithms in less than 4 minutes with an accuracy of ±0.66 mol%. A mathematical model is derived for the NMR spectrum of a mixture that considers the spectrum a weighted sum of pure-component spectra shifted in frequency. The experimental lineshape observed in an inhomogeneous magnetic field is poorly fitted by a Lorentzian lineshape, so a new model lineshape is developed based on the distribution of resonance frequencies across the sample. Volume selective NMR spectroscopy using the STEAM and PROJSAT pulse sequences is optimised to give quantitative results from well-defined volumes with minimal signal contamination. The STEAM pulse sequence is modified to include flow-compensated slice selection gradients. The accuracy of the compositions measured from volume selective spectra is measured as ±1 mol% and ±2 mol% for static and flowing mixtures respectively. Pulsed field gradient NMR sequences using double echoes for flow compensation are tested on flowing water, then used to determine the droplet size distributions of flowing emulsions. Flow images are acquired of a vertical liquid jets showing the narrowing and acceleration of the jet and the entrainment of the surrounding water.

Subjects/Keywords: NMR; spectroscopy

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APA (6^th Edition):

Ghaoui, N. (2001). Process Applications of NMR. (Doctoral Dissertation). Cambridge University. Retrieved from https://www.repository.cam.ac.uk/handle/1810/307040

Chicago Manual of Style (16^th Edition):

Ghaoui, Nora. “Process Applications of NMR.” 2001. Doctoral Dissertation, Cambridge University. Accessed April 13, 2021. https://www.repository.cam.ac.uk/handle/1810/307040.

MLA Handbook (7^th Edition):

Ghaoui, Nora. “Process Applications of NMR.” 2001. Web. 13 Apr 2021.

Vancouver:

Ghaoui N. Process Applications of NMR. [Internet] [Doctoral dissertation]. Cambridge University; 2001. [cited 2021 Apr 13]. Available from: https://www.repository.cam.ac.uk/handle/1810/307040.

Council of Science Editors:

Ghaoui N. Process Applications of NMR. [Doctoral Dissertation]. Cambridge University; 2001. Available from: https://www.repository.cam.ac.uk/handle/1810/307040

Princeton University

5. Fortmeyer, Ivy Camille. Characterization of the fluid and solid components of cyanogel systems during the gelation process .

Degree: PhD, 2016, Princeton University

URL: http://arks.princeton.edu/ark:/88435/dsp01np193c65d

► The work in this thesis concerns the sol-gel transformation in cyanogel systems comprised of d8 square planar chlorometalates (M=Pd(II), Pt(II)) and d6 octahedral hexacyanometalates (M=Fe(II),… (more)

Subjects/Keywords: coordination polymer; cyanogel; gelation; NMR spectroscopy; spectroscopy

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APA (6^th Edition):

Fortmeyer, I. C. (2016). Characterization of the fluid and solid components of cyanogel systems during the gelation process . (Doctoral Dissertation). Princeton University. Retrieved from http://arks.princeton.edu/ark:/88435/dsp01np193c65d

Chicago Manual of Style (16^th Edition):

Fortmeyer, Ivy Camille. “Characterization of the fluid and solid components of cyanogel systems during the gelation process .” 2016. Doctoral Dissertation, Princeton University. Accessed April 13, 2021. http://arks.princeton.edu/ark:/88435/dsp01np193c65d.

MLA Handbook (7^th Edition):

Fortmeyer, Ivy Camille. “Characterization of the fluid and solid components of cyanogel systems during the gelation process .” 2016. Web. 13 Apr 2021.

Vancouver:

Fortmeyer IC. Characterization of the fluid and solid components of cyanogel systems during the gelation process . [Internet] [Doctoral dissertation]. Princeton University; 2016. [cited 2021 Apr 13]. Available from: http://arks.princeton.edu/ark:/88435/dsp01np193c65d.

Council of Science Editors:

Fortmeyer IC. Characterization of the fluid and solid components of cyanogel systems during the gelation process . [Doctoral Dissertation]. Princeton University; 2016. Available from: http://arks.princeton.edu/ark:/88435/dsp01np193c65d

Harvard University

6. Ha, Dongwan. Scalable NMR Spectroscopy with Semiconductor Chips.

Degree: 2014, Harvard University

URL: http://nrs.harvard.edu/urn-3:HUL.InstRepos:12274225

►

Conventional nuclear magnetic resonance (NMR) spectrometers—the electronic brain that orchestrates and monitors nuclear spin motions—are bulky, expensive, thus, not scalable. In this thesis, we report… (more)

▼

Conventional nuclear magnetic resonance (NMR) spectrometers—the electronic brain that orchestrates and monitors nuclear spin motions—are bulky, expensive, thus, not scalable. In this thesis, we report on scalable 4-mm2 silicon spectrometer chips that perform a broad range of two-dimensional NMR spectroscopy—e.g., correlation spectroscopy, J-resolved spectroscopy, and heteronuclear quantum coherence spectroscopy—as well as one-dimensional spectroscopy and relaxometry. In this way, they examine a wealth of nuclear spin behaviors and interactions in biological, organic, and pharmaceutical compound molecules, elucidating their structures and dynamics. This semiconductor-based NMR spectroscopy opens up new exciting vistas with two prime advantages. First, with size/cost economy and scalability, the spectrometer chips can be parallelized sharing the same bore of a magnet—whether a large superconducting or small permanent magnet—to greatly simplify multi-channel spectroscopy and vastly increase the spectroscopy throughput, overcoming the intrinsic slowness of NMR spectroscopy; such parallelism may enable the much-desired high-throughput NMR paradigm for drug discovery, metabolomics/metabonomics, and structural biology. We demonstrate the concept of this parallelism by 2-channel heteronuclear quantum coherence NMR experiments, where 2 chips run synchronously in an ultra-compact configuration. Second, the chip spectrometers can complement the recent advance in magnet miniaturization to realize bona fide portable NMR spectroscopy systems. To demonstrate this miniaturization benefit (in addition to the orthogonal benefit of parallelism), we perform all our spectroscopy experiments in a platform combining the spectrometer chips with a compact permanent NdFeB magnet. These demonstrations suggest new dimensions to the technology and applications of NMR spectroscopy enabled by the integrated spectrometers.

Engineering and Applied Sciences

Advisors/Committee Members: Ham, Donhee, Loncar, Marko, Song, Yi-Qiao, Westervelt, Robert.

Subjects/Keywords: Electrical engineering; Analytical chemistry; Applied mathematics; Integrated circuits; NMR spectroscopy; Portable NMR spectroscopy; Scalable NMR spectroscopy; Semiconductor

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APA (6^th Edition):

Ha, D. (2014). Scalable NMR Spectroscopy with Semiconductor Chips. (Thesis). Harvard University. Retrieved from http://nrs.harvard.edu/urn-3:HUL.InstRepos:12274225

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Ha, Dongwan. “Scalable NMR Spectroscopy with Semiconductor Chips.” 2014. Thesis, Harvard University. Accessed April 13, 2021. http://nrs.harvard.edu/urn-3:HUL.InstRepos:12274225.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Ha, Dongwan. “Scalable NMR Spectroscopy with Semiconductor Chips.” 2014. Web. 13 Apr 2021.

Vancouver:

Ha D. Scalable NMR Spectroscopy with Semiconductor Chips. [Internet] [Thesis]. Harvard University; 2014. [cited 2021 Apr 13]. Available from: http://nrs.harvard.edu/urn-3:HUL.InstRepos:12274225.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Ha D. Scalable NMR Spectroscopy with Semiconductor Chips. [Thesis]. Harvard University; 2014. Available from: http://nrs.harvard.edu/urn-3:HUL.InstRepos:12274225

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Indian Institute of Science

7. Jayasubba Reddy, Y. Multi-Nuclear and Multiple-Quantum NMR in the Solid-State : Methods and Applications.

Degree: PhD, Faculty of Science, 2018, Indian Institute of Science

URL: http://etd.iisc.ac.in/handle/2005/2951

► NMR spectroscopy is a very powerful technique for the characterization of structure and dynamics of a variety of systems starting from small organic molecules to… (more)

▼ NMR spectroscopy is a very powerful technique for the characterization of structure and dynamics of a variety of systems starting from small organic molecules to large biological macromolecules. In solids, the study of protons becomes more interesting because they are very sensitive to inter-molecular packing and are directly involved in hydrogen-bonding and aromatic π-π interactions, etc. The present thesis is devoted essentially to utilizing information from proton resonances obtained using multinuclear and multiple-quantum approaches. The thesis has two parts. The first part deals with methodological developments in the area of solid-state NMR, relevant to the study of rigid powder samples as well as partially ordered liquid crystalline materials. Methods have been proposed to investigate the structure of small molecules at moderate spinning frequencies and thermotropic liquid crystals at static conditions. Proton detected heteronuclear experimental methods based on both first and second-order cross polarization at moderate and ultra-fast magic angle spinning rates are also proposed. The second part of the thesis deals with the application of both newly proposed and existing solid state NMR methods to the study of several biologically relevant systems. These include the study of several designed as well as naturally occurring peptides. The use of first-principles calculations based on GIPAW method for supporting the experimentally obtained results has also been made. The thesis is divided into five chapters. In the second chapter, a new pulse sequence to correlate Double Quantum (DQ) proton frequencies to carbon Single Quantum (SQ) chemical shifts in the solid state has been proposed. In this sequence, named as MAS-J-1H (DQ)-13C-HMQC, the correlation between 1H and 13C is achieved through scalar coupling, while the double-quantum coherence among protons is generated through dipolar couplings. This experiment is particularly suited for the study of 13C in natural abundance. The advantages of the technique with applications to alanine, histidine and a model liquid crystalline material have been demonstrated. The assignment of 13C spectra of partially ordered systems has also been considered. In this case the assignment of the spectrum is a major challenge due to the interplay of anisotropic order and chemical shift parameters. The DQ-SQ correlation experiment described in the thesis has been applied to a well known liquid crystal and also to a novel thiophene based liquid crystal and the local order parameters of the liquid-crystal have been obtained. The thesis also presents results on the azelaic acid -isonicotinamide co-crystal as well as the drug ibuprofen obtained by using novel methodologies. In the case of the former, the problem of overlap of resonances was overcome with the use of the REVERSE-CP approach to separate out the carbon attached protons from the rest of the protons. Subsequently, by the use of several combined approaches, the structural features were identified. A new heteronuclear… Advisors/Committee Members: Ramanathan, K V (advisor).

Subjects/Keywords: Nuclear Magnetic Resonance; Solid State NMR Methods; NMR Spectroscopy; Multiple-quantum NMR; Multi-Nuclear NMR; Solid-State NMR; Proton Spectroscopy; Liquid Crystals Spectroscopy; Glutathione (GSH); Tripeptides; Solid State Physics

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Jayasubba Reddy, Y. (2018). Multi-Nuclear and Multiple-Quantum NMR in the Solid-State : Methods and Applications. (Doctoral Dissertation). Indian Institute of Science. Retrieved from http://etd.iisc.ac.in/handle/2005/2951

Chicago Manual of Style (16^th Edition):

Jayasubba Reddy, Y. “Multi-Nuclear and Multiple-Quantum NMR in the Solid-State : Methods and Applications.” 2018. Doctoral Dissertation, Indian Institute of Science. Accessed April 13, 2021. http://etd.iisc.ac.in/handle/2005/2951.

MLA Handbook (7^th Edition):

Jayasubba Reddy, Y. “Multi-Nuclear and Multiple-Quantum NMR in the Solid-State : Methods and Applications.” 2018. Web. 13 Apr 2021.

Vancouver:

Jayasubba Reddy Y. Multi-Nuclear and Multiple-Quantum NMR in the Solid-State : Methods and Applications. [Internet] [Doctoral dissertation]. Indian Institute of Science; 2018. [cited 2021 Apr 13]. Available from: http://etd.iisc.ac.in/handle/2005/2951.

Council of Science Editors:

Jayasubba Reddy Y. Multi-Nuclear and Multiple-Quantum NMR in the Solid-State : Methods and Applications. [Doctoral Dissertation]. Indian Institute of Science; 2018. Available from: http://etd.iisc.ac.in/handle/2005/2951

Mississippi State University

8. Tata, Sri Ramya. Using NMR spectroscopy to investigate the binding of DNA to the globular domain of histone H1.0.

Degree: MS, Chemistry, 2016, Mississippi State University

URL: http://sun.library.msstate.edu/ETD-db/theses/available/etd-03162016-124953/ ;

► Linker histones (H1) are a family of lysine-rich proteins that bind to or near the point at which DNA enters and exits the nucleosomal… (more)

Subjects/Keywords: Binding; DNA; NMR; Histone1.0; Globular Domain; Spectroscopy

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APA (6^th Edition):

Tata, S. R. (2016). Using NMR spectroscopy to investigate the binding of DNA to the globular domain of histone H1.0. (Masters Thesis). Mississippi State University. Retrieved from http://sun.library.msstate.edu/ETD-db/theses/available/etd-03162016-124953/ ;

Chicago Manual of Style (16^th Edition):

Tata, Sri Ramya. “Using NMR spectroscopy to investigate the binding of DNA to the globular domain of histone H1.0.” 2016. Masters Thesis, Mississippi State University. Accessed April 13, 2021. http://sun.library.msstate.edu/ETD-db/theses/available/etd-03162016-124953/ ;.

MLA Handbook (7^th Edition):

Tata, Sri Ramya. “Using NMR spectroscopy to investigate the binding of DNA to the globular domain of histone H1.0.” 2016. Web. 13 Apr 2021.

Vancouver:

Tata SR. Using NMR spectroscopy to investigate the binding of DNA to the globular domain of histone H1.0. [Internet] [Masters thesis]. Mississippi State University; 2016. [cited 2021 Apr 13]. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-03162016-124953/ ;.

Council of Science Editors:

Tata SR. Using NMR spectroscopy to investigate the binding of DNA to the globular domain of histone H1.0. [Masters Thesis]. Mississippi State University; 2016. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-03162016-124953/ ;

University of Alberta

9. Robertson, Ian Michael. NMR investigation into the therapeutic potential of troponin.

Degree: PhD, Biochemistry, 2011, University of Alberta

URL: https://era.library.ualberta.ca/files/kd17ct46z

► The pumping of the heart is controlled at the molecular level by the calcium dependent interaction between troponin C (cTnC) and troponin I (cTnI). The… (more)

▼ The pumping of the heart is controlled at the molecular level by the calcium dependent interaction between troponin C (cTnC) and troponin I (cTnI). The central role this protein-protein interaction plays in the muscle contraction cascade makes it a prime target for the development of drugs for the treatment of heart disease. In Chapters 2 and 3, we show that the natural products, EGCg and resveratrol, bind preferentially to the C-terminal domain of cTnC (cCTnC). NMR structures reveal that EGCg binds to the surface of the hydrophobic pocket of cCTnC, whereas resveratrol binds deeper in the protein, akin to the Ca2+-sensitizer, EMD 57033. The comparisons between the two structures highlight specific interactions between the compounds and cCTnC that define differences in their binding poses. The next section (Chapters 4, 5, and 6) is devoted to understanding the mechanism of drugs that target the N-terminal domain of cTnC (cNTnC). Specifically, the modulation of cTnI binding to cNTnC is entertained as the mechanism by which molecules that bind to cNTnC modulate contraction. In Chapter 4 some pharmacophores are identified and an ideal cNTnC-cTnI construct for the design of drugs is described. Chapter 5 explores the structure and function of a novel Ca2+-sensitizer, dfbp-o. We find that dfbp-o enhances cTnI binding in vitro and increases contractility in situ. This enhanced cTnI binding is postulated to originate from an electrostatic attraction between R147 of cTnI and the carboxylate moiety of dfbp-o. In Chapter 6 the synthesis and activity of some novel analogs of the inhibitor, W7, is outlined. The results support the electrostatic mechanism outlined in Chapter 5. In Chapters 7 and 8 we investigate how one can modify calcium sensitivity by changing residues on either cNTnC or cTnI. We show that the mutation L48Q stabilizes the open state of cNTnC thereby enhancing cTnI binding and contractiltity. A specific histidine on skeletal TnI has been shown to increase the calcium sensitivity of a myofilament when compared to cTnI, at low pH. In Chapter 8, we show that under acidic conditions, this histidine is protonated and its binding to cNTnC is enhanced by the appearance of an electrostatic interaction with E19 of cNTnC.

Subjects/Keywords: cardiomyopathy; levosimendan; troponin C; inotrope; NMR spectroscopy

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Robertson, I. M. (2011). NMR investigation into the therapeutic potential of troponin. (Doctoral Dissertation). University of Alberta. Retrieved from https://era.library.ualberta.ca/files/kd17ct46z

Chicago Manual of Style (16^th Edition):

Robertson, Ian Michael. “NMR investigation into the therapeutic potential of troponin.” 2011. Doctoral Dissertation, University of Alberta. Accessed April 13, 2021. https://era.library.ualberta.ca/files/kd17ct46z.

MLA Handbook (7^th Edition):

Robertson, Ian Michael. “NMR investigation into the therapeutic potential of troponin.” 2011. Web. 13 Apr 2021.

Vancouver:

Robertson IM. NMR investigation into the therapeutic potential of troponin. [Internet] [Doctoral dissertation]. University of Alberta; 2011. [cited 2021 Apr 13]. Available from: https://era.library.ualberta.ca/files/kd17ct46z.

Council of Science Editors:

Robertson IM. NMR investigation into the therapeutic potential of troponin. [Doctoral Dissertation]. University of Alberta; 2011. Available from: https://era.library.ualberta.ca/files/kd17ct46z

Durham University

10. Almond, Graham G. A nuclear magnetic resonance study of hydrous layer silicates.

Degree: PhD, 1995, Durham University

URL: http://etheses.dur.ac.uk/5096/ ; http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.260097

► This is a study of five silicates, namely makatite, kanemite, octosilicate, magadiite and kenyaite. The silicates have been analysed using a range of techniques, principally… (more)

▼ This is a study of five silicates, namely makatite, kanemite, octosilicate, magadiite and kenyaite. The silicates have been analysed using a range of techniques, principally solid-state NMR spectroscopy. High-quality (²⁹)Si NMR spectra have been obtained for samples of all five layered sodium polysilicate hydrates. Amongst other findings, these have revealed four crystallographically distinct sites in makatite and a Q(⁴):Q(⁴) site ratio in kenyaite of ca. 5. Proton MAS NMR studies can produce well-resolved spectra, particularly for carefully-dried samples. Distinct water and strongly hydrogen-bonded proton species have been detected. The latter are particularly noteworthy and they are present in kanemite, octosilicate, magadiite and kenyaite, but not in makatite or layered silicic acids. Interactions between the resolved proton species have been investigated with a series of 1- and 2-dimensional experiments resulting in the detection of mixing, via spin-diffusion or chemical exchange. Sodium-23 NMR studies were complicated by second-order effects from strong quadrupolar interactions and the presence of a significant signal from a sodium chloride contamination in many samples. The latter had fooled previous authors. Acidification products of kanemite, octosilicate and magadiite were characterised by (²⁹)Si CP NMR, thermogravimetric analysis, 1H MAS NMR and powder X-ray diffraction. A single H-kanemite sample proved to be H(₂)Si(₂)O(₅), but two types of H-octosilicate and H-magadiite sample were prepared. These differed in the presence of interlayer water. Several CP experiments were used to investigate the relationship between (²⁹)Si and (²³)Na nuclei and protons in the silicates. Cross-polarisation mechanisms tended to involve magnetisation transfer from the H-bonded protons only. Their determination was possible with a consideration of the extent of spin-diffusion or chemical exchange over the time-scale of the relevant experiments. Finally, new model structures for kanemite and the interlayer space in kanemite, octosilicate, magadiite and kenyaite have been suggested, while previously- proposed silicate layers have been reconsidered.

Subjects/Keywords: 541; NMR spectroscopy

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APA (6^th Edition):

Almond, G. G. (1995). A nuclear magnetic resonance study of hydrous layer silicates. (Doctoral Dissertation). Durham University. Retrieved from http://etheses.dur.ac.uk/5096/ ; http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.260097

Chicago Manual of Style (16^th Edition):

Almond, Graham G. “A nuclear magnetic resonance study of hydrous layer silicates.” 1995. Doctoral Dissertation, Durham University. Accessed April 13, 2021. http://etheses.dur.ac.uk/5096/ ; http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.260097.

MLA Handbook (7^th Edition):

Almond, Graham G. “A nuclear magnetic resonance study of hydrous layer silicates.” 1995. Web. 13 Apr 2021.

Vancouver:

Almond GG. A nuclear magnetic resonance study of hydrous layer silicates. [Internet] [Doctoral dissertation]. Durham University; 1995. [cited 2021 Apr 13]. Available from: http://etheses.dur.ac.uk/5096/ ; http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.260097.

Council of Science Editors:

Almond GG. A nuclear magnetic resonance study of hydrous layer silicates. [Doctoral Dissertation]. Durham University; 1995. Available from: http://etheses.dur.ac.uk/5096/ ; http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.260097

University of Notre Dame

11. Cunjia Qiu. Characterization of Plasminogen-Binding Group A Streptococcal M Proteins from the Aspects of Function, Structure, and Evolution</h1>.

Degree: Chemistry and Biochemistry, 2019, University of Notre Dame

URL: https://curate.nd.edu/show/d504rj4646b

► Group A streptococcus (GAS) is one of leading infectious causes of human morbidity and mortality. In particular, pattern D GAS isolates express plasminogen-binding group… (more)

▼ Group A streptococcus (GAS) is one of leading infectious causes of human morbidity and mortality. In particular, pattern D GAS isolates express plasminogen-binding group A streptococcal M protein (PAM) that utilizes its A-domain to specifically capture the K2 domain in human plasminogen (hPg). The binding to PAM facilitates activation of hPg by GAS-derived streptokinase on the cell surface. Plasmin generated degrades fibrin encapsulating bacterial cells, which is one of the major pathogenesis mechanisms employed by skin-tropic pattern D strains to escape the host immune defense. Seven recombinant PAMs from different GAS strains were investigated in this work. Each PAM dimerizes in solution at 25 °C, wherein the C-domain constitutes the most important region in PAM dimerization. NMR solution structures of peptides that contain the A- and B-domains demonstrated that both domains are helix-destabilizing, and thus contribute little to dimerization. A structural model was accordingly developed to describe the non-ideal dimerization pattern of PAM. It is noteworthy that dimeric PAMs dissociate into unstructured monomers at 37 °C, to different extents. Although all PAMs tightly bind to hPg in a nM range at 25 °C, the reduction of α-helical content at 37 °C makes class II PAMs that only contain the a2-repeat interact with hPg ~1,000 times weaker, but impacts little to hPg-binding of class I/III PAMs containing complete a1a2-repeats. It is further corroborated that the a1-repeat protects the α-helix in the a2-repeat, making binding relevant residues in the latter repeat optimally orientate. However, this protection disappears when the a1-repeat is absent in class II PAMs. Another divergence among these PAMs is that dimeric class I/III PAMs completely dissociate once binding to excessive K2_hPg at 25 °C, while monomeric and dimeric species coexist in the case of class II PAMs. <span></span> NMR structures of two complexes, AGL55_NS88.2-K2_hPg and KTI55_SS1448-K2_hPg, in which AGL55_NS88.2 and KTI55_SS1448 are truncated from the corresponding class II PAMs, elucidate the atom-level mechanisms underlying the differences in hPg-binding between class II and class I/III PAMs. On the basis of complex structures and the phylogeny of PAMs, the α-helical content in the A-domain is discovered to be a driving force in the PAM evolution. Advisors/Committee Members: Paul W. Huber, Committee Member, Holly V. Goodson, Committee Member, Francis J. Castellino, Research Director, Shaun W. Lee, Committee Member.

Subjects/Keywords: Biophysics; Microbiology; Protein Interactions; NMR Spectroscopy

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APA (6^th Edition):

Qiu, C. (2019). Characterization of Plasminogen-Binding Group A Streptococcal M Proteins from the Aspects of Function, Structure, and Evolution</h1>. (Thesis). University of Notre Dame. Retrieved from https://curate.nd.edu/show/d504rj4646b

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Qiu, Cunjia. “Characterization of Plasminogen-Binding Group A Streptococcal M Proteins from the Aspects of Function, Structure, and Evolution</h1>.” 2019. Thesis, University of Notre Dame. Accessed April 13, 2021. https://curate.nd.edu/show/d504rj4646b.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Qiu, Cunjia. “Characterization of Plasminogen-Binding Group A Streptococcal M Proteins from the Aspects of Function, Structure, and Evolution</h1>.” 2019. Web. 13 Apr 2021.

Vancouver:

Qiu C. Characterization of Plasminogen-Binding Group A Streptococcal M Proteins from the Aspects of Function, Structure, and Evolution</h1>. [Internet] [Thesis]. University of Notre Dame; 2019. [cited 2021 Apr 13]. Available from: https://curate.nd.edu/show/d504rj4646b.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Qiu C. Characterization of Plasminogen-Binding Group A Streptococcal M Proteins from the Aspects of Function, Structure, and Evolution</h1>. [Thesis]. University of Notre Dame; 2019. Available from: https://curate.nd.edu/show/d504rj4646b

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

12. Tiret, Brice. Développements méthodologiques en RMN des noyaux X pour l’étude in vivo du métabolisme cérébral pendant la neurodégénérescence : Methodological developement in X nuclei NMR for in vivo study of aging brain metabolism.

Degree: Docteur es, Imagerie et physique médicale, 2016, Université Paris-Saclay (ComUE)

URL: http://www.theses.fr/2016SACLS221

►

Le but de ce travail de thèse a été de développer à MIRC en une capacité à observer deux aspects clefs du métabolisme cérébral chez… (more)

▼

Le but de ce travail de thèse a été de développer à MIRC en une capacité à observer deux aspects clefs du métabolisme cérébral chez le rongeur par spectroscopie RMN des noyaux X : le métabolisme mitochondrial du glucose à partir de l’observation du 13C et la synthèse d’ATP par observation du 31P. Ces développements s’inscrivent à la fois dans une recherche fondamentale pour améliorer notre compréhension du signal RMN et raffiner son analyse ainsi que du métabolisme cérébral chez les sujets sains. Ils s’inscrivent aussi dans une recherche translationnelle avec la possibilité d’évaluer certains aspects du métabolisme comme potentiels biomarqueurs de maladies neurodégénératives. Ces travaux ont pu être réalisés à très haut champ (11.7T) permettant d’obtenir un meilleur rapport signal à bruit. Dans un premier temps, nous présenterons le développement d’une séquence de transfert de saturation pour la mesure des flux de synthèse d’adénosine triphosphate (ATP) et de phosphocréatine (PCr). Cette séquence a été optimisée pour sélectionner avec un module de localisation ISIS le signal émis par le cerveau uniquement. Avec l’augmentation de la résolution spectrale à haut champ, cette séquence a pu être utilisée pour caractériser le phosphate inorganique extracellulaire, et prévenir un biais de quantification possible à plus bas champ. De plus, elle a permis l’observation de l’adaptation du métabolisme cérébral chez les rats transgéniques BACHD, modèles de la maladie de Huntington. Ces rats présentent une augmentation d’environ 10% de la concentration de PCr permettant de pallier à leur plus faible taux de synthèse d’ATP qui lui est diminué de moitié. Dans un second temps, la mise en place d’un pipeline automatisé d’analyse des données a permis d’explorer le modèle métabolique bicompartimental de la consommation de glucose observée en spectroscopie 13C, qui prend en compte le cycle de Krebs dans les neurones et les astrocytes. Deux corrections majeures ont été apportées au modèle traditionnel permettant d’expliquer les dynamiques à moyen et long termes. La première est la mise en évidence d’un pool de glutamate vésiculaire agissant comme tampon temporel au marquage du glutamate, la seconde est la présence d’une dilution 6 fois plus importante de pyruvate vers les astrocytes que vers les neurones. Ces résultats viennent renforcer les hypothèses entourant le couplage métabolique entre ces deux types cellulaires. Ces hypothèses ont pu être testées après l’optimisation d’une séquence d’acquisition du signal RMN des noyaux 13C par transfert de polarisation (DEPT), testée in vivo dans le cerveau du rat sain. Finalement, l’utilisation combinée de la spectroscopie 31P et 13C a été appliquée chez le rat sous intoxication chronique au 3-NP, une toxine inhibant le cycle de Krebs et utilisée comme modèle de la maladie de Huntington.

The aim of this thesis was to develop at MIRCen new capabilities to observe two key aspects of energy metabolism in rodent brains using X nuclei NMR spectroscopy: glucose consumption with 13C spectroscopy and…

Advisors/Committee Members: Lebon, Vincent (thesis director), Valette, Julien (thesis director).

Subjects/Keywords: Métabolisme; Spectrosocpie; RMN; Metabolism; Spectroscopy; NMR

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Tiret, B. (2016). Développements méthodologiques en RMN des noyaux X pour l’étude in vivo du métabolisme cérébral pendant la neurodégénérescence : Methodological developement in X nuclei NMR for in vivo study of aging brain metabolism. (Doctoral Dissertation). Université Paris-Saclay (ComUE). Retrieved from http://www.theses.fr/2016SACLS221

Chicago Manual of Style (16^th Edition):

Tiret, Brice. “Développements méthodologiques en RMN des noyaux X pour l’étude in vivo du métabolisme cérébral pendant la neurodégénérescence : Methodological developement in X nuclei NMR for in vivo study of aging brain metabolism.” 2016. Doctoral Dissertation, Université Paris-Saclay (ComUE). Accessed April 13, 2021. http://www.theses.fr/2016SACLS221.

MLA Handbook (7^th Edition):

Tiret, Brice. “Développements méthodologiques en RMN des noyaux X pour l’étude in vivo du métabolisme cérébral pendant la neurodégénérescence : Methodological developement in X nuclei NMR for in vivo study of aging brain metabolism.” 2016. Web. 13 Apr 2021.

Vancouver:

Tiret B. Développements méthodologiques en RMN des noyaux X pour l’étude in vivo du métabolisme cérébral pendant la neurodégénérescence : Methodological developement in X nuclei NMR for in vivo study of aging brain metabolism. [Internet] [Doctoral dissertation]. Université Paris-Saclay (ComUE); 2016. [cited 2021 Apr 13]. Available from: http://www.theses.fr/2016SACLS221.

Council of Science Editors:

Tiret B. Développements méthodologiques en RMN des noyaux X pour l’étude in vivo du métabolisme cérébral pendant la neurodégénérescence : Methodological developement in X nuclei NMR for in vivo study of aging brain metabolism. [Doctoral Dissertation]. Université Paris-Saclay (ComUE); 2016. Available from: http://www.theses.fr/2016SACLS221

University of Arizona

13. Xu, Xiaolin. Theory and Applications of Solid-State NMR Spectroscopy to Biomembrane Structure and Dynamics .

Degree: 2017, University of Arizona

URL: http://hdl.handle.net/10150/626369

► Solid-state Nuclear Magnetic Resonance (NMR)is one of the premiere biophysical methods that can be applied for addressing the structure and dynamics of biomolecules, including proteins,… (more)

▼ Solid-state Nuclear Magnetic Resonance (NMR)is one of the premiere biophysical methods that can be applied for addressing the structure and dynamics of biomolecules, including proteins, lipids, and nucleic acids. It illustrates the general problem of determining the average biomolecular structure, including the motional mean-square amplitudes and rates of the fluctuations. Lineshape and relaxtion studies give us a view into the molecular properties under different environments. To help the understanding of NMR theory, both lineshape and relaxation experiments are conducted with hexamethylbezene (HMB). This chemical compound with a simple structure serves as a perfect test molecule. Because of its highly symmetric structure, its motions are not very difficult to understand. The results for HMB set benchmarks for other more complicated systems like membrane proteins. After accumulating a large data set on HMB, we also proceed to develop a completely new method of data analysis, which yields the spectral densities in a body-fixed frame revealing internal motions of the system. Among the possible applications of solid-state NMR spectroscopy, we study the light activation mechanism of visual rhodopsin in lipid membranes. As a prototype of G-protein-coupled receptors, which are a large class of membrane proteins, the cofactor isomerization is triggered by photon absorption, and the local structural change is then propagated to a large-scale conformational change of the protein. Facilitation of the binding of transducin then passes along the visual signal to downstream effector proteins like transducin. To study this process, we introduce 2H labels into the rhodopsin chromophore retinal and the C-terminal peptide of transducin to probe the local structure and dynamics of these two hotspots of the rhodopsin activation process. In addition to the examination of local sites with solid-state 2H NMR spectroscopy, wide angle X-ray scattering (WAXS) provides us the chance of looking at the overall conformational changes through difference scattering profiles. Although the resolution of this method is not as high as NMR spectroscopy, which gives information on atomic scale, the early activation probing is possible because of the short duration of the optical pump and X-ray probe lasers. We can thus visualize the energy dissipation process by observing and comparing the difference scattering profiles at different times after the light activation moments. Advisors/Committee Members: Brown, Michael F (advisor), Brown, Michael F. (committeemember), Sanov, Andrei M. (committeemember), Su, Shufang (committeemember), Visscher, Koen (committeemember), Wolgemuth, Charles W. (committeemember).

Subjects/Keywords: relaxation theory; rhodopsin; solid state NMR spectroscopy

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APA (6^th Edition):

Xu, X. (2017). Theory and Applications of Solid-State NMR Spectroscopy to Biomembrane Structure and Dynamics . (Doctoral Dissertation). University of Arizona. Retrieved from http://hdl.handle.net/10150/626369

Chicago Manual of Style (16^th Edition):

Xu, Xiaolin. “Theory and Applications of Solid-State NMR Spectroscopy to Biomembrane Structure and Dynamics .” 2017. Doctoral Dissertation, University of Arizona. Accessed April 13, 2021. http://hdl.handle.net/10150/626369.

MLA Handbook (7^th Edition):

Xu, Xiaolin. “Theory and Applications of Solid-State NMR Spectroscopy to Biomembrane Structure and Dynamics .” 2017. Web. 13 Apr 2021.

Vancouver:

Xu X. Theory and Applications of Solid-State NMR Spectroscopy to Biomembrane Structure and Dynamics . [Internet] [Doctoral dissertation]. University of Arizona; 2017. [cited 2021 Apr 13]. Available from: http://hdl.handle.net/10150/626369.

Council of Science Editors:

Xu X. Theory and Applications of Solid-State NMR Spectroscopy to Biomembrane Structure and Dynamics . [Doctoral Dissertation]. University of Arizona; 2017. Available from: http://hdl.handle.net/10150/626369

University of Bath

14. Ahmed, Mai. Phytochemistry of norditerpenoid alkaloids from Aconitum and Delphinium.

Degree: PhD, 2016, University of Bath

URL: https://researchportal.bath.ac.uk/en/studentthesis/phytochemistry-of-norditerpenoid-alkaloids-from-aconitum-and-delphinium(15f4ba39-97aa-477f-a821-e95fa3d2d4bc).html ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.687329

► Aconitum and Delphinium genera are important rich sources of toxic C19-diterpenoid alkaloids. The alkaloidal content of A. napellus and D. elatum seeds have been investigated… (more)

Subjects/Keywords: 615.3; Norditerpenoid alkaloids; Aconitum; Delphinium; NMR-spectroscopy

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APA (6^th Edition):

Ahmed, M. (2016). Phytochemistry of norditerpenoid alkaloids from Aconitum and Delphinium. (Doctoral Dissertation). University of Bath. Retrieved from https://researchportal.bath.ac.uk/en/studentthesis/phytochemistry-of-norditerpenoid-alkaloids-from-aconitum-and-delphinium(15f4ba39-97aa-477f-a821-e95fa3d2d4bc).html ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.687329

Chicago Manual of Style (16^th Edition):

Ahmed, Mai. “Phytochemistry of norditerpenoid alkaloids from Aconitum and Delphinium.” 2016. Doctoral Dissertation, University of Bath. Accessed April 13, 2021. https://researchportal.bath.ac.uk/en/studentthesis/phytochemistry-of-norditerpenoid-alkaloids-from-aconitum-and-delphinium(15f4ba39-97aa-477f-a821-e95fa3d2d4bc).html ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.687329.

MLA Handbook (7^th Edition):

Ahmed, Mai. “Phytochemistry of norditerpenoid alkaloids from Aconitum and Delphinium.” 2016. Web. 13 Apr 2021.

Vancouver:

Ahmed M. Phytochemistry of norditerpenoid alkaloids from Aconitum and Delphinium. [Internet] [Doctoral dissertation]. University of Bath; 2016. [cited 2021 Apr 13]. Available from: https://researchportal.bath.ac.uk/en/studentthesis/phytochemistry-of-norditerpenoid-alkaloids-from-aconitum-and-delphinium(15f4ba39-97aa-477f-a821-e95fa3d2d4bc).html ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.687329.

Council of Science Editors:

Ahmed M. Phytochemistry of norditerpenoid alkaloids from Aconitum and Delphinium. [Doctoral Dissertation]. University of Bath; 2016. Available from: https://researchportal.bath.ac.uk/en/studentthesis/phytochemistry-of-norditerpenoid-alkaloids-from-aconitum-and-delphinium(15f4ba39-97aa-477f-a821-e95fa3d2d4bc).html ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.687329

University of Lethbridge

15. University of Lethbridge. Faculty of Arts and Science. 1H NMR metabolomics of stress .

Degree: 2016, University of Lethbridge

URL: http://hdl.handle.net/10133/4610

► Metabolomics provides a method to study the dynamics of cellular function by adopting a systems biology approach to the analysis of small molecule metabolites found… (more)

Subjects/Keywords: metabolism; NMR spectroscopy; anxiety; depression; biomarker

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Science, U. o. L. F. o. A. a. (2016). 1H NMR metabolomics of stress . (Thesis). University of Lethbridge. Retrieved from http://hdl.handle.net/10133/4610

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Science, University of Lethbridge. Faculty of Arts and. “1H NMR metabolomics of stress .” 2016. Thesis, University of Lethbridge. Accessed April 13, 2021. http://hdl.handle.net/10133/4610.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Science, University of Lethbridge. Faculty of Arts and. “1H NMR metabolomics of stress .” 2016. Web. 13 Apr 2021.

Vancouver:

Science UoLFoAa. 1H NMR metabolomics of stress . [Internet] [Thesis]. University of Lethbridge; 2016. [cited 2021 Apr 13]. Available from: http://hdl.handle.net/10133/4610.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Science UoLFoAa. 1H NMR metabolomics of stress . [Thesis]. University of Lethbridge; 2016. Available from: http://hdl.handle.net/10133/4610

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Queens University

16. Kwan, Irene Ching Man. Structural Elucidation of Guanosine Self-assemblies Using Spectroscopic and Computational Methods .

Degree: Chemistry, 2012, Queens University

URL: http://hdl.handle.net/1974/7295

► In this thesis, we document a comprehensive study of the cation-directed self-assembly of three guanosine derivatives: i) guanosine 5'-monophosphate (5'-GMP), ii) guanosine 5'-thiomonophosphate (5'-GSMP), and… (more)

▼ In this thesis, we document a comprehensive study of the cation-directed self-assembly of three guanosine derivatives: i) guanosine 5'-monophosphate (5'-GMP), ii) guanosine 5'-thiomonophosphate (5'-GSMP), and iii) 2',3',5'-O-triacetylguanosine (TAG). We discovered that, under the neutral pH condition, Na2(5'-GMP) molecules self-assemble into a right-handed helix structure consisting of alternating all-C2'endo and all-C3'endo planar G-quartets stacking on top of each other with a 30° twist. This self-assembled supramolecular structure uses multiple non-covalent forces (e.g., hydrogen-bond, phosphate-hydroxyl, pi-pi (base-base) stacking, ion-carbonyl, and ion-phosphate) to align individual monomers in a way that resembles RNA and DNA sequences in which covalent bonds are used to link monomers. Na+ ions are located in the channel and surface sites of the G-quadruplex. In contrast, under acidic pH conditions, Na2(5'-GMP) molecules self-assemble into a continuous right-handed helix where guanine bases are hydrogen-bonded in a lock-washer fashion with only C3'-endo monomers. Na+ ions are absent in the channel site due to smaller channel radius and lesser repulsions between phosphate groups (-1 vs. -2 charge under neutral pH) contribute to the stronger stacking mechanism. In Na2(5'-GSMP), a longer phosphate bond compared with Na2(5'-GMP) allows stronger P-O-…Na+…-O-P interactions to occur, thus enhancing self-assembly. Solid-state NMR, FT-IR, powder x-ray diffraction, model building, and calculation showed that Na2(5'-GSMP) forms the same self-assembled structure as Na2(5'-GMP) but with significantly greater tendency. This study proves that single-bond modification can enhance stacking in G self-assemblies, and shows direct evidence that Na+ ions reside at the surface (phosphate) sites. Lastly, using lipophilic TAG, we were able to show for the first time that trivalent lanthanide metal ions can facilitate G-quartet formation. A new mode of metal ion binding in G-quartet structures (i.e., a triple-decker G dodecamer containing a single metal ion in the central G-quartet) is reported. We also report the first 1H and 43Ca NMR characterization of Ca-templated G-quartet formation in a [TAG8-Ca]2+ octamer.

Subjects/Keywords: Nucleic acid ; Supramolecular ; NMR Spectroscopy ; Chemistry

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APA (6^th Edition):

Kwan, I. C. M. (2012). Structural Elucidation of Guanosine Self-assemblies Using Spectroscopic and Computational Methods . (Thesis). Queens University. Retrieved from http://hdl.handle.net/1974/7295

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Kwan, Irene Ching Man. “Structural Elucidation of Guanosine Self-assemblies Using Spectroscopic and Computational Methods .” 2012. Thesis, Queens University. Accessed April 13, 2021. http://hdl.handle.net/1974/7295.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Kwan, Irene Ching Man. “Structural Elucidation of Guanosine Self-assemblies Using Spectroscopic and Computational Methods .” 2012. Web. 13 Apr 2021.

Vancouver:

Kwan ICM. Structural Elucidation of Guanosine Self-assemblies Using Spectroscopic and Computational Methods . [Internet] [Thesis]. Queens University; 2012. [cited 2021 Apr 13]. Available from: http://hdl.handle.net/1974/7295.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Kwan ICM. Structural Elucidation of Guanosine Self-assemblies Using Spectroscopic and Computational Methods . [Thesis]. Queens University; 2012. Available from: http://hdl.handle.net/1974/7295

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Queens University

17. Liburd, Janine. Structural Insights Into Dictyostelium Discoideum Myosin Light Chain Specificity .

Degree: Biochemistry, 2013, Queens University

URL: http://hdl.handle.net/1974/7776

► Myosins are molecular motor proteins involved in cell movement, vesicle and organelle transport by moving along the cytoskeletal actin filaments. They include a myosin heavy… (more)

▼ Myosins are molecular motor proteins involved in cell movement, vesicle and organelle transport by moving along the cytoskeletal actin filaments. They include a myosin heavy chain and at least one myosin light chain (LC). The latter are typically bilobal proteins like calmodulin, where each lobe comprises a pair of EF-hand Ca2+-binding motifs. The LCs bind to ~25-residue IQ motifs that loosely conform to an IQXXXRGXXXR consensus sequence, and impart rigidity that is crucial for myosin function. The highly motile amoeba Dictyostelium discoideum expresses seven class I myosins, two of which (MyoD and MyoB) recruit the specific LCs MlcD and MlcB, with MlcB being the first observed single-lobe LC. However, the LCs for the remaining D. discoideum class I myosins are unknown. Identifying and characterizing these LCs is one focus of this thesis, with an overall goal of understanding their role in myosin function and regulation. Nuclear magnetic resonance spectroscopy, site-directed mutagenesis, and computational modeling were used to determine the solution structure of apo-MlcB and identify the MyoB IQ motif-binding site. Apo-MlcB differs from the typical closed conformation of an EF-hand Ca2+-binding protein in the apo-state as helix 1 in its structure is splayed from the remaining helices. The MyoB IQ motif-binding surface is not altered by Ca2+, involves residues from helices 1 and 4, and from residues in the N-terminal canonical EF-hand Ca2+-binding loop, and represents a unique mode of IQ recognition by a myosin LC. Calmodulin was identified as the LC for MyoA and MyoE while another single-lobe LC, MlcC, bound to two of three IQ motifs in MyoC. The solution structure of MlcC was more similar to the C-terminal lobe of apo-calmodulin than to apo-MlcB. Chemical shift perturbation studies suggest that like apo-CaM, MlcC undergoes a global MyoC IQ motif-induced conformational change. Computational modeling of the MlcC-MyoC IQ complex indicates that this is a feasible mode of IQ recognition. The structures of MlcB and MlcC, with their different modes of IQ motif binding, provide novel insights into IQ motif binding specificity and begin to illustrate their role in myosin function and regulation.

Subjects/Keywords: Myosin Light Chains ; IQ Motifs ; NMR Spectroscopy

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APA (6^th Edition):

Liburd, J. (2013). Structural Insights Into Dictyostelium Discoideum Myosin Light Chain Specificity . (Thesis). Queens University. Retrieved from http://hdl.handle.net/1974/7776

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Liburd, Janine. “Structural Insights Into Dictyostelium Discoideum Myosin Light Chain Specificity .” 2013. Thesis, Queens University. Accessed April 13, 2021. http://hdl.handle.net/1974/7776.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Liburd, Janine. “Structural Insights Into Dictyostelium Discoideum Myosin Light Chain Specificity .” 2013. Web. 13 Apr 2021.

Vancouver:

Liburd J. Structural Insights Into Dictyostelium Discoideum Myosin Light Chain Specificity . [Internet] [Thesis]. Queens University; 2013. [cited 2021 Apr 13]. Available from: http://hdl.handle.net/1974/7776.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Liburd J. Structural Insights Into Dictyostelium Discoideum Myosin Light Chain Specificity . [Thesis]. Queens University; 2013. Available from: http://hdl.handle.net/1974/7776

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

University of Cambridge

18. Ghaoui, Nora. Process applications of NMR.

Degree: PhD, 2001, University of Cambridge

URL: https://doi.org/10.17863/CAM.54135 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.621156

► This thesis describes applications of NMR techniques to flowing liquid streams to obtain quantitative information about the contents of the streams. The quantitative accuracy of… (more)

▼ This thesis describes applications of NMR techniques to flowing liquid streams to obtain quantitative information about the contents of the streams. The quantitative accuracy of NMR spectroscopy for composition measurement of liquid mixtures is measured as ±0.34 mol% and ±1 mol% for static and flowing mixtures respectively. The effects of flow on NMR spectroscopy are analysed using the residence time distributions of the streams in the magnet and the detection coil. Algorithms are developed for automated analysis of the NMR spectra of the mixtures, in which automatic phase and baseline correction are performed together. A peak-assignment algorithm is written that identifies components in a mixture based on the patterns observed in the pure-component spectra. Automated composition analysis of mixture spectra is performed using these algorithms in less than 4 minutes with an accuracy of ±0.66 mol%. A mathematical model is derived for the NMR spectrum of a mixture that considers the spectrum a weighted sum of pure-component spectra shifted in frequency. The experimental lineshape observed in an inhomogeneous magnetic field is poorly fitted by a Lorentzian lineshape, so a new model lineshape is developed based on the distribution of resonance frequencies across the sample. Volume selective NMR spectroscopy using the STEAM and PROJSAT pulse sequences is optimised to give quantitative results from well-defined volumes with minimal signal contamination. The STEAM pulse sequence is modified to include flow-compensated slice selection gradients. The accuracy of the compositions measured from volume selective spectra is measured as ±1 mol% and ±2 mol% for static and flowing mixtures respectively. Pulsed field gradient NMR sequences using double echoes for flow compensation are tested on flowing water, then used to determine the droplet size distributions of flowing emulsions. Flow images are acquired of a vertical liquid jets showing the narrowing and acceleration of the jet and the entrainment of the surrounding water.

Subjects/Keywords: 660; NMR; spectroscopy

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Ghaoui, N. (2001). Process applications of NMR. (Doctoral Dissertation). University of Cambridge. Retrieved from https://doi.org/10.17863/CAM.54135 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.621156

Chicago Manual of Style (16^th Edition):

Ghaoui, Nora. “Process applications of NMR.” 2001. Doctoral Dissertation, University of Cambridge. Accessed April 13, 2021. https://doi.org/10.17863/CAM.54135 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.621156.

MLA Handbook (7^th Edition):

Ghaoui, Nora. “Process applications of NMR.” 2001. Web. 13 Apr 2021.

Vancouver:

Ghaoui N. Process applications of NMR. [Internet] [Doctoral dissertation]. University of Cambridge; 2001. [cited 2021 Apr 13]. Available from: https://doi.org/10.17863/CAM.54135 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.621156.

Council of Science Editors:

Ghaoui N. Process applications of NMR. [Doctoral Dissertation]. University of Cambridge; 2001. Available from: https://doi.org/10.17863/CAM.54135 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.621156

University of Cambridge

19. Gunnarsdóttir, Anna Bergljót. Nuclear magnetic resonance studies of lithium metal anodes.

Degree: PhD, 2020, University of Cambridge

URL: https://doi.org/10.17863/CAM.62825 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.821624

► Lithium metal has received a renewed interest as a promising anode material for next-generation, high-energy batteries owing to its high specific capacity (3860 mAh g-1)… (more)

▼ Lithium metal has received a renewed interest as a promising anode material for next-generation, high-energy batteries owing to its high specific capacity (3860 mAh g-1) and low reduction potential (-3.04 V vs. the standard hydrogen electrode). However, lithium metal batteries suffer from low capacity retention, short cycle life and safety problems associated with microstructural and dendritic growth of lithium. In this work, nuclear magnetic resonance (NMR) spectroscopy is used to understand the effect of the solid electrolyte interphase (SEI) on lithium metal deposition. In situ NMR is used to quantify the lithium microstructures formed during plating and allows the current efficiency and porosity of the structures to be estimated. The effect of the fluoroethylene carbonate (FEC) additive is explored along with a range of plating conditions. NMR measurements show that the isotope exchange between a 6Li-enriched lithium metal and a natural abundance electrolyte depends significantly on the electrolyte and the corresponding SEI. A numerical model is developed to describe the processes during isotope exchange and is discussed in the context of the standard model of electrochemical kinetics. The model is used to extract both an exchange current at the open circuit voltage and the SEI formation current as a function of time. In situ NMR methods are then developed to study ‘anode-free’ lithium metal batteries where the lithium is plated directly onto a bare copper current collector from a LiFePO4 cathode. The low cycling stability of lithium metal batteries becomes clear when there is no excess of lithium in the cell. The ‘dead lithium’ and SEI formation can be quantified by NMR and their relative rates of formation are here compared in carbonate and ether-electrolytes. Importantly, the NMR experiments reveal that the dissolution of lithium metal during the periods when the battery is not in use, i.e., when no current is flowing, demonstrating that dissolution of lithium remains a critical issue for lithium metal batteries. Strategies to mitigate lithium corrosion are explored; the work demonstrating that both polymer coatings and the modification of the copper surface chemistry stabilising lithium metal. Overall, this work demonstrates that the NMR approach offers unique insight into the dynamic processes occurring on lithium metal both during electrochemical measurements and at the open circuit voltage.

Subjects/Keywords: in situ NMR spectroscopy; lithium metal; electrochemistry

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Gunnarsdóttir, A. B. (2020). Nuclear magnetic resonance studies of lithium metal anodes. (Doctoral Dissertation). University of Cambridge. Retrieved from https://doi.org/10.17863/CAM.62825 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.821624

Chicago Manual of Style (16^th Edition):

Gunnarsdóttir, Anna Bergljót. “Nuclear magnetic resonance studies of lithium metal anodes.” 2020. Doctoral Dissertation, University of Cambridge. Accessed April 13, 2021. https://doi.org/10.17863/CAM.62825 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.821624.

MLA Handbook (7^th Edition):

Gunnarsdóttir, Anna Bergljót. “Nuclear magnetic resonance studies of lithium metal anodes.” 2020. Web. 13 Apr 2021.

Vancouver:

Gunnarsdóttir AB. Nuclear magnetic resonance studies of lithium metal anodes. [Internet] [Doctoral dissertation]. University of Cambridge; 2020. [cited 2021 Apr 13]. Available from: https://doi.org/10.17863/CAM.62825 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.821624.

Council of Science Editors:

Gunnarsdóttir AB. Nuclear magnetic resonance studies of lithium metal anodes. [Doctoral Dissertation]. University of Cambridge; 2020. Available from: https://doi.org/10.17863/CAM.62825 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.821624

King Abdullah University of Science and Technology

20. Almulhim, Fatimah F. Structural and Dynamic Profiles of the WT hFEN1 in solution.

Degree: Biological and Environmental Sciences and Engineering (BESE) Division, 2020, King Abdullah University of Science and Technology

URL: http://hdl.handle.net/10754/664008

► Genomic DNA is under constant assault by environmental factors that introduce a variety of DNA lesions. Cells evolved several DNA repair and recombination mechanisms to… (more)

▼ Genomic DNA is under constant assault by environmental factors that introduce a variety of DNA lesions. Cells evolved several DNA repair and recombination mechanisms to remove these damages and ensure the integrity of the DNA material. A variety of specific proteins, called nucleases, processes toxic DNA structures that deviate from the heritable duplex DNA as common pathway intermediates. DNA-induced protein ordering is a common feature in all DNA repair nucleases. Still, the conformational requirement of the DNA and the protein and how they control the catalytic selectivity of the nuclease remain largely unknown. This study focus on the bases of catalytic activity of a protein belongs to the 5’ nuclease super-family called the human Flap endonuclease 1 (FEN1); it removes excess 5’ flaps that are generated during DNA replication. hFEN1 mutations and over-expression had been linked to a variety of cancers. This thesis aims to study the structural and dynamic properties of free hFEN1 and the catalytic activity of DNA-bound hFEN1 in solution utilizing the modern high-resolution multidimensional Nuclear Magnetic Resonance (NMR) spectroscopy. It was possible to depict the secondary structure and backbone conformation in solution of wild type (WT) hFEN1 by the usage of the improved list of assigned resonances, derived from the NMR 2D and 3D ¹⁵N-detected experiments and compared to the assignment with the previously published resonance assignment (BMRB id: 27160). I was successfully assigned the new spectrum and enhanced it by assigning seven more residues. Moreover, we tested the interaction of 1:10 ratio of hFEN1-Ca2+ with DNA by the ¹³C-detected 2D CACO experiment. The results indicate hFEN1:DNA interaction. Furthermore, parts of hFEN1 get more ordered/structured once DNA appears, thus we recorded the protein flexibly by 2D ¹H-¹⁵N TROSY-HSQC using the relaxation rate parameters: longitudinal R1, transverse R2 complemented with ¹⁵N-{¹H} NOEs (heteronuclear Overhauser enhancement). It was found that the overall molecular architecture is rigid, and the highest flexibility lies in the α2-α3 loop and arch (α4-α5) regions. Further analysis is needed to understand more profoundly the activity of hFEN1 in an atomic level by inducing mutations and testing the protein in various environmental conditions. Advisors/Committee Members: Jaremko, Mariusz (advisor), Falqui, Andrea (committee member), Saikaly, Pascal (committee member).

Subjects/Keywords: Flap endonuclease 1; DNA repair; NMR spectroscopy

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Almulhim, F. F. (2020). Structural and Dynamic Profiles of the WT hFEN1 in solution. (Thesis). King Abdullah University of Science and Technology. Retrieved from http://hdl.handle.net/10754/664008

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Almulhim, Fatimah F. “Structural and Dynamic Profiles of the WT hFEN1 in solution.” 2020. Thesis, King Abdullah University of Science and Technology. Accessed April 13, 2021. http://hdl.handle.net/10754/664008.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Almulhim, Fatimah F. “Structural and Dynamic Profiles of the WT hFEN1 in solution.” 2020. Web. 13 Apr 2021.

Vancouver:

Almulhim FF. Structural and Dynamic Profiles of the WT hFEN1 in solution. [Internet] [Thesis]. King Abdullah University of Science and Technology; 2020. [cited 2021 Apr 13]. Available from: http://hdl.handle.net/10754/664008.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Almulhim FF. Structural and Dynamic Profiles of the WT hFEN1 in solution. [Thesis]. King Abdullah University of Science and Technology; 2020. Available from: http://hdl.handle.net/10754/664008

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

University of Cambridge

21. Gunnarsdóttir, Anna Bergljót. Nuclear Magnetic Resonance Studies of Lithium Metal Anodes.

Degree: PhD, 2020, University of Cambridge

URL: https://www.repository.cam.ac.uk/handle/1810/315711

► Lithium metal has received a renewed interest as a promising anode material for next-generation, high-energy batteries owing to its high specific capacity (3860 mAh g-1)… (more)

▼ Lithium metal has received a renewed interest as a promising anode material for next-generation, high-energy batteries owing to its high specific capacity (3860 mAh g-1) and low reduction potential (-3.04 V vs. the standard hydrogen electrode). However, lithium metal batteries suffer from low capacity retention, short cycle life and safety problems associated with microstructural and dendritic growth of lithium. In this work, nuclear magnetic resonance (NMR) spectroscopy is used to understand the effect of the solid electrolyte interphase (SEI) on lithium metal deposition. In situ NMR is used to quantify the lithium microstructures formed during plating and allows the current efficiency and porosity of the structures to be estimated. The effect of the fluoroethylene carbonate (FEC) additive is explored along with a range of plating conditions. NMR measurements show that the isotope exchange between a 6Li-enriched lithium metal and a natural abundance electrolyte depends significantly on the electrolyte and the corresponding SEI. A numerical model is developed to describe the processes during isotope exchange and is discussed in the context of the standard model of electrochemical kinetics. The model is used to extract both an exchange current at the open circuit voltage and the SEI formation current as a function of time. In situ NMR methods are then developed to study ‘anode-free’ lithium metal batteries where the lithium is plated directly onto a bare copper current collector from a LiFePO4 cathode. The low cycling stability of lithium metal batteries becomes clear when there is no excess of lithium in the cell. The ‘dead lithium’ and SEI formation can be quantified by NMR and their relative rates of formation are here compared in carbonate and ether-electrolytes. Importantly, the NMR experiments reveal that the dissolution of lithium metal during the periods when the battery is not in use, i.e., when no current is flowing, demonstrating that dissolution of lithium remains a critical issue for lithium metal batteries. Strategies to mitigate lithium corrosion are explored; the work demonstrating that both polymer coatings and the modification of the copper surface chemistry stabilising lithium metal. Overall, this work demonstrates that the NMR approach offers unique insight into the dynamic processes occurring on lithium metal both during electrochemical measurements and at the open circuit voltage.

Subjects/Keywords: in situ NMR spectroscopy; lithium metal; electrochemistry

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Gunnarsdóttir, A. B. (2020). Nuclear Magnetic Resonance Studies of Lithium Metal Anodes. (Doctoral Dissertation). University of Cambridge. Retrieved from https://www.repository.cam.ac.uk/handle/1810/315711

Chicago Manual of Style (16^th Edition):

Gunnarsdóttir, Anna Bergljót. “Nuclear Magnetic Resonance Studies of Lithium Metal Anodes.” 2020. Doctoral Dissertation, University of Cambridge. Accessed April 13, 2021. https://www.repository.cam.ac.uk/handle/1810/315711.

MLA Handbook (7^th Edition):

Gunnarsdóttir, Anna Bergljót. “Nuclear Magnetic Resonance Studies of Lithium Metal Anodes.” 2020. Web. 13 Apr 2021.

Vancouver:

Gunnarsdóttir AB. Nuclear Magnetic Resonance Studies of Lithium Metal Anodes. [Internet] [Doctoral dissertation]. University of Cambridge; 2020. [cited 2021 Apr 13]. Available from: https://www.repository.cam.ac.uk/handle/1810/315711.

Council of Science Editors:

Gunnarsdóttir AB. Nuclear Magnetic Resonance Studies of Lithium Metal Anodes. [Doctoral Dissertation]. University of Cambridge; 2020. Available from: https://www.repository.cam.ac.uk/handle/1810/315711

22. Manolopoulou, Efstathia. Μεταβολομική ανάλυση φυτικών εκχυλισμάτων και βιολογικών υγρών με την φασματοσκοπία NMR.

Degree: 2017, University of Crete (UOC); Πανεπιστήμιο Κρήτης

URL: http://hdl.handle.net/10442/hedi/42326

►

Τhis dissertation uses NMR-based metabolomics and chemometric methods for the analysis of several extracts of plant origin (olive oil mill water condensates, spearmint extracts, olive… (more)

▼

Τhis dissertation uses NMR-based metabolomics and chemometric methods for the analysis of several extracts of plant origin (olive oil mill water condensates, spearmint extracts, olive leaves) and biological fluids (culture media, rat urine and human blood plasma).A novel spectroscopic “standardless” analytical NMR methodology that does not necessitate the use of an internal quantification standard, qEretic2, was developed and validated for the quantification of olive leaf metabolites. This methodology was applied for the metabolite/phenolic profiling of olive leaves obtained from trees of two different cultivars (Picual, Koroneiki) as a function of leaf harvest time, resulting in the successful classification of leaves of different cultivar, while harvest time was found to also have an effect on the phenolic content of the leaves. The qualitative and quantitative characterization of olive oil mill water condensates and spearmint extracts by NMR spectroscopy was conducted in order to aid their use as phenolic antioxidant additives in functional foods. NMR analysis showed that plant origin and year of production have a significant effect on the type and quantity of bioactive and phenolic compounds present in these plant-derived extracts.The effect of olive oil mill water condensates and spearmint extracts as encapsulated antioxidant additives of functional foods on metabolism was studied in three separate studies (a) HepG2 cell cultures during cell growth, (b) an animal model utilizing the NMR-based urine analysis after acute administration of encapsulated extracts in high fat-fed rats, and (c) two clinical studies using healthy volunteers that adhered to a specific diet that included administration of microencapsulated extracts in functional foods (pariza, meat product containing an olive oil mill water condensate and yoghurt containing a spearmint extract).Multivariate statistical model analysis demonstrated the temporal changes in the metabolite profile of rat urine and the effect of bioactive compounds present in the two plant extracts. The analysis of the metabolite and blood plasma lipid profile of healthy volunteers demonstrated an extract type-dependant metabolic effect of the encapsulated components of the functional foods, in agreement with clinical biochemical blood markers (glucose, LDL-HDL cholesterol). The metabolic effect due to the consumption of the functional food was more pronounced in volunteers with at least two biochemical or anthropometric elements of cardio-metabolic risk.Finally, the NMR-obtained metabolite dataset was analysed using Metaboanalyst 3.0 in order to elucidate the metabolic pathways involved in the metabolite profile changes observed during the cell culture media, animal model and healthy volunteer studies. It was found that similar metabolic pathways were involved in all three cases after administration of the same plant-derived extract

H παρούσα διατριβή αφορά τη χρήση της Φασματοσκοπίας NMR σε συνδυασμό με τη μεταβολομική ανάλυση/χημειομετρία για την μελέτη διαφόρων φυτικών…

Subjects/Keywords: Μεταβολομική ανάλυση; Φασματοσκοπία NMR; qEretic2; Metabolomic analysis; H-NMR spectroscopy; qEretic2

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Manolopoulou, E. (2017). Μεταβολομική ανάλυση φυτικών εκχυλισμάτων και βιολογικών υγρών με την φασματοσκοπία NMR. (Thesis). University of Crete (UOC); Πανεπιστήμιο Κρήτης. Retrieved from http://hdl.handle.net/10442/hedi/42326

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Manolopoulou, Efstathia. “Μεταβολομική ανάλυση φυτικών εκχυλισμάτων και βιολογικών υγρών με την φασματοσκοπία NMR.” 2017. Thesis, University of Crete (UOC); Πανεπιστήμιο Κρήτης. Accessed April 13, 2021. http://hdl.handle.net/10442/hedi/42326.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Manolopoulou, Efstathia. “Μεταβολομική ανάλυση φυτικών εκχυλισμάτων και βιολογικών υγρών με την φασματοσκοπία NMR.” 2017. Web. 13 Apr 2021.

Vancouver:

Manolopoulou E. Μεταβολομική ανάλυση φυτικών εκχυλισμάτων και βιολογικών υγρών με την φασματοσκοπία NMR. [Internet] [Thesis]. University of Crete (UOC); Πανεπιστήμιο Κρήτης; 2017. [cited 2021 Apr 13]. Available from: http://hdl.handle.net/10442/hedi/42326.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Manolopoulou E. Μεταβολομική ανάλυση φυτικών εκχυλισμάτων και βιολογικών υγρών με την φασματοσκοπία NMR. [Thesis]. University of Crete (UOC); Πανεπιστήμιο Κρήτης; 2017. Available from: http://hdl.handle.net/10442/hedi/42326

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Uniwersytet im. Adama Mickiewicza w Poznaniu

23. Jenczyk, Jacek. Badanie dynamiki molekularnej oraz struktury kopolimerów metodą NMR oraz spektroskopii dielektrycznej .

Degree: 2011, Uniwersytet im. Adama Mickiewicza w Poznaniu

URL: http://hdl.handle.net/10593/1293

► Kopolimery blokowe reprezentują ciekawą klasę materiałów polimerowych, cieszącą się coraz większym zainteresowaniem w środowiskach naukowych oraz technologicznych. Budowę makromolekuły kopolimeru stanowi kowalentne połączenie dwóch bądź… (more)

Subjects/Keywords: kopolimery blokowe; block copolymers; spektroskopia NMR; NMR spectroscopy; spektroskopia dielektryczna; dielectric spectroscopy

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Jenczyk, J. (2011). Badanie dynamiki molekularnej oraz struktury kopolimerów metodą NMR oraz spektroskopii dielektrycznej . (Doctoral Dissertation). Uniwersytet im. Adama Mickiewicza w Poznaniu. Retrieved from http://hdl.handle.net/10593/1293

Chicago Manual of Style (16^th Edition):

Jenczyk, Jacek. “Badanie dynamiki molekularnej oraz struktury kopolimerów metodą NMR oraz spektroskopii dielektrycznej .” 2011. Doctoral Dissertation, Uniwersytet im. Adama Mickiewicza w Poznaniu. Accessed April 13, 2021. http://hdl.handle.net/10593/1293.

MLA Handbook (7^th Edition):

Jenczyk, Jacek. “Badanie dynamiki molekularnej oraz struktury kopolimerów metodą NMR oraz spektroskopii dielektrycznej .” 2011. Web. 13 Apr 2021.

Vancouver:

Jenczyk J. Badanie dynamiki molekularnej oraz struktury kopolimerów metodą NMR oraz spektroskopii dielektrycznej . [Internet] [Doctoral dissertation]. Uniwersytet im. Adama Mickiewicza w Poznaniu; 2011. [cited 2021 Apr 13]. Available from: http://hdl.handle.net/10593/1293.

Council of Science Editors:

Jenczyk J. Badanie dynamiki molekularnej oraz struktury kopolimerów metodą NMR oraz spektroskopii dielektrycznej . [Doctoral Dissertation]. Uniwersytet im. Adama Mickiewicza w Poznaniu; 2011. Available from: http://hdl.handle.net/10593/1293

Indian Institute of Science

24. Prabhu, Uday Ramesh. Development Of Two Dimensional Correlation And Resolved Methodologies For NMR Spectroscopic Discrimination Of Enantiomers.

Degree: PhD, Faculty of Science, 2013, Indian Institute of Science

URL: http://etd.iisc.ac.in/handle/2005/1890

► The research work reported in this thesis deals with the development of novel NMR experimental techniques for the spectroscopic discrimination of enantiomers dissolved in a… (more)

▼ The research work reported in this thesis deals with the development of novel NMR experimental techniques for the spectroscopic discrimination of enantiomers dissolved in a chiral liquid crystalline medium. The information on the chemical shifts and coupling constants pertaining to each enantiomer has been derived on the investigated chiral molecules. The enantiomeric excess (ee), a parameter which is of profound importance in pharmaceutical industry and in asymmetric synthesis, has also been measured. A special attention is paid to the use of high sensitivity of H NMR for chiral discrimination. Typical analyses of H NMR spectra are severely hindered due to enormous spectral inhomogeneous broadening arising from too many unresolved transitions, in addition to superposition of spectra from both the enantiomers. Therefore, the major part of the work is focused on the design and application of pulse sequences to overcome many of these drawbacks. This helps to achieve very high resolution, discerning of overlapped transitions, identification of resonances pertaining to each enantiomer and simplification of the spectrum for easy extraction of spectral parameters, in addition to the accurate measurement of ee. Initially a brief discussion is provided on enantiomers, diastereomers, basic principles of NMR spectroscopy, the several interaction Hamiltonians responsible for yielding the NMR spectra, introduction to product and polarization operator formalisms that gives insight into the spin dynamics for designing appropriate two-dimensional (2D) NMR experiments. This sets the foundation to understand the complex multiplet structures of the diagonal peaks and cross peaks in the resulting 2D spectrum. Subsequently, a brief introduction is given for the available techniques for NMR spectroscopic discrimination of enantiomers in isotropic medium, where only chemical shifts are employed as a measurable parameter. The limitations of these techniques are circumvented by the introduction of other anisotropic NMR parameters, such as homo-and hetero-nuclear dipolar couplings, quadrupolar couplings and chemical shift anisotropies. To achieve this goal the enantiomers are dissolved in weakly aligning chiral liquid crystalline (CLC) medium. To understand this, a general introduction to liquid crystals and their utility as an alignment medium in NMR spectroscopy and the anisotropic interactions affecting the NMR spectrum has also been provided. The preparation of the CLC phase of Poly-γ-Benzyl-L-Glutamate (PBLG) employed in the present study and its orientational behaviour has been discussed. The detection of NMR spectra of various nuclei and the interaction parameters utilized for chiral discrimination will be enumerated. A brief summary of the experiments employed for the spectral analyses of the enantiomers dissolved in PBLG will also be presented. Advisors/Committee Members: Suryaprakash, N (advisor).

Subjects/Keywords: NMR Spectroscopy; Chiral Discrimination; Enantiomers - NMR Spectra; Chirality; Chiral Molecules - NMR Spectra; 1H NMR; Chiral Analyses; Analytical Chemistry

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Prabhu, U. R. (2013). Development Of Two Dimensional Correlation And Resolved Methodologies For NMR Spectroscopic Discrimination Of Enantiomers. (Doctoral Dissertation). Indian Institute of Science. Retrieved from http://etd.iisc.ac.in/handle/2005/1890

Chicago Manual of Style (16^th Edition):

Prabhu, Uday Ramesh. “Development Of Two Dimensional Correlation And Resolved Methodologies For NMR Spectroscopic Discrimination Of Enantiomers.” 2013. Doctoral Dissertation, Indian Institute of Science. Accessed April 13, 2021. http://etd.iisc.ac.in/handle/2005/1890.

MLA Handbook (7^th Edition):

Prabhu, Uday Ramesh. “Development Of Two Dimensional Correlation And Resolved Methodologies For NMR Spectroscopic Discrimination Of Enantiomers.” 2013. Web. 13 Apr 2021.

Vancouver:

Prabhu UR. Development Of Two Dimensional Correlation And Resolved Methodologies For NMR Spectroscopic Discrimination Of Enantiomers. [Internet] [Doctoral dissertation]. Indian Institute of Science; 2013. [cited 2021 Apr 13]. Available from: http://etd.iisc.ac.in/handle/2005/1890.

Council of Science Editors:

Prabhu UR. Development Of Two Dimensional Correlation And Resolved Methodologies For NMR Spectroscopic Discrimination Of Enantiomers. [Doctoral Dissertation]. Indian Institute of Science; 2013. Available from: http://etd.iisc.ac.in/handle/2005/1890

Texas A&M University

25. Sekar, Giridhar. NMR Studies of Membrane Associating Peptides and Implications in Autotransporter Function.

Degree: PhD, Biochemistry, 2014, Texas A&M University

URL: http://hdl.handle.net/1969.1/153902

► Membrane associating peptides such as antimicrobial peptides and viral fusion peptides are involved in a diverse set of physiological processes. Their functions often require a… (more)

▼ Membrane associating peptides such as antimicrobial peptides and viral fusion peptides are involved in a diverse set of physiological processes. Their functions often require a change in the structure of the peptide, caused by interactions between the peptide and the biological membrane. This change in structure can be investigated in vitro, by performing circular dichroism (CD) and nuclear magnetic resonance (NMR) spectroscopy experiments with peptide solutions in membrane mimetic such as detergent micelles and in organic solvents. NalP is an outer membrane autotransporter protein from N. meningitides that transports its serine protease passenger domain across the outer membrane of the cell. The secondary structure of a linker peptide from this protein was determined in an aqueous medium, in sodium dodecyl sulfate (SDS) detergent micelles and in trifluoroethanol (TFE). The peptide exhibits a random coiled secondary structure in the aqueous medium and has a partial helical character in SDS detergent micelles. In TFE, the peptide has an α-helical secondary structure, and this structure was determined by NMR spectroscopy. The difference in structure of the peptide in the detergent micelle and in the hydrophobic organic solvent, when compared to the aqueous medium, suggests that the linker might interact with the biological membrane during the protein transport event. The stability of the α-helix formed by this peptide in TFE was determined by investigating the overall and residue specific effects of temperature on the secondary structure of the peptide. Partial loss of secondary structure is observed when the peptide is heated to a temperature of 348 K. Nuclear Overhauser Effect (NOE) crosspeaks that had high relative intensities at elevated temperatures were observed on a stretch of residues located in the middle of the α-helix, suggesting that this region of the α-helix is comparatively more stable and that the unfolding is initiated at both termini of the helix. The effect of electrostatic interactions on thermally induced unfolding of charged helical peptides was determined in detergent micelles of different charge. In the presence of a similar charge on the peptide and the micelle, the antimicrobial peptide Magainin2 and a mutant of the viral fusion peptide HA G1V showed a greater curvature in the temperature dependence of CD signal at 222 nm, suggesting an increased co-operativity in the helix coil transition of the peptide. The residue specific effects of electrostatic interactions were also determined by measuring the temperature dependence of chemical shifts and NOE intensities of Magainin2 peptide in SDS and dodecylphosphocholine (DPC) detergent micelles. Advisors/Committee Members: Hilty, Christian (advisor), Young, Ryland (advisor), Li, Pingwei (committee member), Sacchettini, James (committee member).

Subjects/Keywords: Membrane Associating Peptide; NMR Spectroscopy; CD Spectroscopy; Autotransporters; Thermal Denaturation

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Sekar, G. (2014). NMR Studies of Membrane Associating Peptides and Implications in Autotransporter Function. (Doctoral Dissertation). Texas A&M University. Retrieved from http://hdl.handle.net/1969.1/153902

Chicago Manual of Style (16^th Edition):

Sekar, Giridhar. “NMR Studies of Membrane Associating Peptides and Implications in Autotransporter Function.” 2014. Doctoral Dissertation, Texas A&M University. Accessed April 13, 2021. http://hdl.handle.net/1969.1/153902.

MLA Handbook (7^th Edition):

Sekar, Giridhar. “NMR Studies of Membrane Associating Peptides and Implications in Autotransporter Function.” 2014. Web. 13 Apr 2021.

Vancouver:

Sekar G. NMR Studies of Membrane Associating Peptides and Implications in Autotransporter Function. [Internet] [Doctoral dissertation]. Texas A&M University; 2014. [cited 2021 Apr 13]. Available from: http://hdl.handle.net/1969.1/153902.

Council of Science Editors:

Sekar G. NMR Studies of Membrane Associating Peptides and Implications in Autotransporter Function. [Doctoral Dissertation]. Texas A&M University; 2014. Available from: http://hdl.handle.net/1969.1/153902

University of Lethbridge

26. University of Lethbridge. Faculty of Arts and Science. A nuclear magnetic resonance spectroscopic investigation of the molecular structure and aggregation behavior of asphaltenes .

Degree: 2015, University of Lethbridge

URL: http://hdl.handle.net/10133/4526

► The molecular and aggregate structure of asphaltenes derived from oil-sands bitumen, heavy black-oil and coal, and their aggregation behavior, have been studied comprehensively using solution-… (more)

Subjects/Keywords: Spectroscopy; Nuclear magnetic resonance spectroscopy; Petroleum; Solid-state NMR; Asphaltenes

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APA (6^th Edition):

Science, U. o. L. F. o. A. a. (2015). A nuclear magnetic resonance spectroscopic investigation of the molecular structure and aggregation behavior of asphaltenes . (Thesis). University of Lethbridge. Retrieved from http://hdl.handle.net/10133/4526

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Science, University of Lethbridge. Faculty of Arts and. “A nuclear magnetic resonance spectroscopic investigation of the molecular structure and aggregation behavior of asphaltenes .” 2015. Thesis, University of Lethbridge. Accessed April 13, 2021. http://hdl.handle.net/10133/4526.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Science, University of Lethbridge. Faculty of Arts and. “A nuclear magnetic resonance spectroscopic investigation of the molecular structure and aggregation behavior of asphaltenes .” 2015. Web. 13 Apr 2021.

Vancouver:

Science UoLFoAa. A nuclear magnetic resonance spectroscopic investigation of the molecular structure and aggregation behavior of asphaltenes . [Internet] [Thesis]. University of Lethbridge; 2015. [cited 2021 Apr 13]. Available from: http://hdl.handle.net/10133/4526.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Science UoLFoAa. A nuclear magnetic resonance spectroscopic investigation of the molecular structure and aggregation behavior of asphaltenes . [Thesis]. University of Lethbridge; 2015. Available from: http://hdl.handle.net/10133/4526

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

University of Edinburgh

27. Ember, Katherine Joanna Irene. Developing a spectroscopic technique for assessing liver health.

Degree: PhD, 2020, University of Edinburgh

URL: http://hdl.handle.net/1842/36817

► As our largest internal organ, the liver is responsible for the breakdown of toxic compounds, synthesis of multiple hormones and also plays a vital role… (more)

▼ As our largest internal organ, the liver is responsible for the breakdown of toxic compounds, synthesis of multiple hormones and also plays a vital role in metabolism. However, liver disease is the only major cause of death in the UK that is increasing annually, and it remains a worldwide problem. It is clear that novel methods of diagnosis are required; symptoms are fairly generic, whilst blood tests may show liver function to be normal even after significant damage has occurred. The bile duct cancer cholangiocarcinoma has a dismal survival rate - only 5% of individuals survive 5 years post-diagnosis. This partly due to the lack of spatial resolution and chemical specificity in conventional imaging techniques leading to a late stage of diagnosis. Moreover, in 2013, approximately 25,000 liver transplants were carried out worldwide and yet surgeons lack a quantitative means of determining whether a liver is suitable for transplantation or not. Here, I present my work towards a non-invasive, label-free method for assessing liver health with molecular specificity. To establish whether spectroscopy can be used to detect liver damage, I investigated a porcine model of donation after circulatory death. After the heart ceases contracting, the liver is subject to a period of warm ischemia, when there is no circulation and oxygen delivery to the organs. The liver can be reperfused at body temperature using a machine through normothermic regional perfusion (NRP). In this thesis, I obtained in vivo spectral data using a 785 nm handheld Raman spectrometer prior to death, after 45 mins of warm ischemia and after 2 hours of NRP. I observed significant spectral changes over the time course. Furthermore, I took liver and bile duct biopsies before and after ischemia for analysis using Raman microspectroscopy, stimulated Raman scattering (SRS), nuclear magnetic resonance spectroscopy (NMR) and immunostaining. By applying these techniques to serial tissue sections, I have been able to detect morphological and biomolecular variations in samples. These results strongly suggest that removing 10% of the circulating volume of blood reduces liver congestion. Moreover, my experimental findings using a multiphoton microscope suggest that there are differences in the autofluorescence properties of non-tumour and tumour tissue in biopsies obtained from patients with the bile duct cancer cholangiocarcinoma. Initial results suggest there are also differences between the Raman profiles of the tumour and non-tumour tissue. In summary, the results in this thesis could inform the development of a device incorporating autofluorescence and Raman spectroscopy for assessment of liver health. Such a technique could be used to detect liver damage including congestion and cholangiocarcinoma.

Subjects/Keywords: Raman spectroscopy; spectroscopy; liver; transplantation; NMR; biomedical imaging; DCD; ischemia

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Ember, K. J. I. (2020). Developing a spectroscopic technique for assessing liver health. (Doctoral Dissertation). University of Edinburgh. Retrieved from http://hdl.handle.net/1842/36817

Chicago Manual of Style (16^th Edition):

Ember, Katherine Joanna Irene. “Developing a spectroscopic technique for assessing liver health.” 2020. Doctoral Dissertation, University of Edinburgh. Accessed April 13, 2021. http://hdl.handle.net/1842/36817.

MLA Handbook (7^th Edition):

Ember, Katherine Joanna Irene. “Developing a spectroscopic technique for assessing liver health.” 2020. Web. 13 Apr 2021.

Vancouver:

Ember KJI. Developing a spectroscopic technique for assessing liver health. [Internet] [Doctoral dissertation]. University of Edinburgh; 2020. [cited 2021 Apr 13]. Available from: http://hdl.handle.net/1842/36817.

Council of Science Editors:

Ember KJI. Developing a spectroscopic technique for assessing liver health. [Doctoral Dissertation]. University of Edinburgh; 2020. Available from: http://hdl.handle.net/1842/36817

University of Edinburgh

28. Ember, Katherine Joanna Irene. Developing a spectroscopic technique for assessing liver health.

Degree: PhD, 2020, University of Edinburgh

URL: https://doi.org/10.7488/era/119 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.799001

► As our largest internal organ, the liver is responsible for the breakdown of toxic compounds, synthesis of multiple hormones and also plays a vital role… (more)

▼ As our largest internal organ, the liver is responsible for the breakdown of toxic compounds, synthesis of multiple hormones and also plays a vital role in metabolism. However, liver disease is the only major cause of death in the UK that is increasing annually, and it remains a worldwide problem. It is clear that novel methods of diagnosis are required; symptoms are fairly generic, whilst blood tests may show liver function to be normal even after significant damage has occurred. The bile duct cancer cholangiocarcinoma has a dismal survival rate - only 5% of individuals survive 5 years post-diagnosis. This partly due to the lack of spatial resolution and chemical specificity in conventional imaging techniques leading to a late stage of diagnosis. Moreover, in 2013, approximately 25,000 liver transplants were carried out worldwide and yet surgeons lack a quantitative means of determining whether a liver is suitable for transplantation or not. Here, I present my work towards a non-invasive, label-free method for assessing liver health with molecular specificity. To establish whether spectroscopy can be used to detect liver damage, I investigated a porcine model of donation after circulatory death. After the heart ceases contracting, the liver is subject to a period of warm ischemia, when there is no circulation and oxygen delivery to the organs. The liver can be reperfused at body temperature using a machine through normothermic regional perfusion (NRP). In this thesis, I obtained in vivo spectral data using a 785 nm handheld Raman spectrometer prior to death, after 45 mins of warm ischemia and after 2 hours of NRP. I observed significant spectral changes over the time course. Furthermore, I took liver and bile duct biopsies before and after ischemia for analysis using Raman microspectroscopy, stimulated Raman scattering (SRS), nuclear magnetic resonance spectroscopy (NMR) and immunostaining. By applying these techniques to serial tissue sections, I have been able to detect morphological and biomolecular variations in samples. These results strongly suggest that removing 10% of the circulating volume of blood reduces liver congestion. Moreover, my experimental findings using a multiphoton microscope suggest that there are differences in the autofluorescence properties of non-tumour and tumour tissue in biopsies obtained from patients with the bile duct cancer cholangiocarcinoma. Initial results suggest there are also differences between the Raman profiles of the tumour and non-tumour tissue. In summary, the results in this thesis could inform the development of a device incorporating autofluorescence and Raman spectroscopy for assessment of liver health. Such a technique could be used to detect liver damage including congestion and cholangiocarcinoma.

Subjects/Keywords: Raman spectroscopy; spectroscopy; liver; transplantation; NMR; biomedical imaging; DCD; ischemia

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Ember, K. J. I. (2020). Developing a spectroscopic technique for assessing liver health. (Doctoral Dissertation). University of Edinburgh. Retrieved from https://doi.org/10.7488/era/119 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.799001

Chicago Manual of Style (16^th Edition):

Ember, Katherine Joanna Irene. “Developing a spectroscopic technique for assessing liver health.” 2020. Doctoral Dissertation, University of Edinburgh. Accessed April 13, 2021. https://doi.org/10.7488/era/119 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.799001.

MLA Handbook (7^th Edition):

Ember, Katherine Joanna Irene. “Developing a spectroscopic technique for assessing liver health.” 2020. Web. 13 Apr 2021.

Vancouver:

Ember KJI. Developing a spectroscopic technique for assessing liver health. [Internet] [Doctoral dissertation]. University of Edinburgh; 2020. [cited 2021 Apr 13]. Available from: https://doi.org/10.7488/era/119 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.799001.

Council of Science Editors:

Ember KJI. Developing a spectroscopic technique for assessing liver health. [Doctoral Dissertation]. University of Edinburgh; 2020. Available from: https://doi.org/10.7488/era/119 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.799001

University of Alberta

29. Obiosa-Maife, Collins. Predicition of the molecular structure of ill-defined hydrocarbons using vibrational, 1H, and 13C NMR spectroscopy.

Degree: MS, Department of Chemical and Materials Engineering, 2009, University of Alberta

URL: https://era.library.ualberta.ca/files/wd375x09x

► This represents a proof-of-concept study of the appropriateness of vibrational and NMR spectroscopy for predicting the molecular structure of large molecules on the basis of… (more)

Subjects/Keywords: Ill-defined hydrocarbons; Raman Spectroscopy; Infrared Spectroscopy; NMR Spectroscopy; Density Functional Theory (DFT)

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Obiosa-Maife, C. (2009). Predicition of the molecular structure of ill-defined hydrocarbons using vibrational, 1H, and 13C NMR spectroscopy. (Masters Thesis). University of Alberta. Retrieved from https://era.library.ualberta.ca/files/wd375x09x

Chicago Manual of Style (16^th Edition):

Obiosa-Maife, Collins. “Predicition of the molecular structure of ill-defined hydrocarbons using vibrational, 1H, and 13C NMR spectroscopy.” 2009. Masters Thesis, University of Alberta. Accessed April 13, 2021. https://era.library.ualberta.ca/files/wd375x09x.

MLA Handbook (7^th Edition):

Obiosa-Maife, Collins. “Predicition of the molecular structure of ill-defined hydrocarbons using vibrational, 1H, and 13C NMR spectroscopy.” 2009. Web. 13 Apr 2021.

Vancouver:

Obiosa-Maife C. Predicition of the molecular structure of ill-defined hydrocarbons using vibrational, 1H, and 13C NMR spectroscopy. [Internet] [Masters thesis]. University of Alberta; 2009. [cited 2021 Apr 13]. Available from: https://era.library.ualberta.ca/files/wd375x09x.

Council of Science Editors:

Obiosa-Maife C. Predicition of the molecular structure of ill-defined hydrocarbons using vibrational, 1H, and 13C NMR spectroscopy. [Masters Thesis]. University of Alberta; 2009. Available from: https://era.library.ualberta.ca/files/wd375x09x

Vanderbilt University

30. Leman, Julia Koehler. Membrane protein structure determination using NMR spectroscopy and computational techniques.

Degree: PhD, Chemical and Physical Biology, 2012, Vanderbilt University

URL: http://hdl.handle.net/1803/12894

► Membrane protein structures are very difficult to determine by solution NMR since severe line-broadening obstructs the measurement of restraints. To alleviate this problem we describe… (more)

Subjects/Keywords: paramagnetic NMR restraints; protein structure prediction; protein structure determination; membrane proteins; NMR spectroscopy

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Leman, J. K. (2012). Membrane protein structure determination using NMR spectroscopy and computational techniques. (Doctoral Dissertation). Vanderbilt University. Retrieved from http://hdl.handle.net/1803/12894

Chicago Manual of Style (16^th Edition):

Leman, Julia Koehler. “Membrane protein structure determination using NMR spectroscopy and computational techniques.” 2012. Doctoral Dissertation, Vanderbilt University. Accessed April 13, 2021. http://hdl.handle.net/1803/12894.

MLA Handbook (7^th Edition):

Leman, Julia Koehler. “Membrane protein structure determination using NMR spectroscopy and computational techniques.” 2012. Web. 13 Apr 2021.

Vancouver:

Leman JK. Membrane protein structure determination using NMR spectroscopy and computational techniques. [Internet] [Doctoral dissertation]. Vanderbilt University; 2012. [cited 2021 Apr 13]. Available from: http://hdl.handle.net/1803/12894.

Council of Science Editors:

Leman JK. Membrane protein structure determination using NMR spectroscopy and computational techniques. [Doctoral Dissertation]. Vanderbilt University; 2012. Available from: http://hdl.handle.net/1803/12894

Open Access Theses and Dissertations