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Solid state nuclear magnetic resonance studies of functional materials
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Thesis-Doctor of Philosophy -
2
Solid state nuclear magnetic resonance and materials modelling of functional materials
Published 2024“…Whilst many spectroscopic techniques have been developed to probe the structure of materials over different length and time scales, nuclear magnetic resonance (NMR) offers a wide range of capabilities for determining the short range structure, dynamics, and order/disorder related to specific atomic environments. …”
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Thesis-Doctor of Philosophy -
3
Localized structural and bulk effects in hybrid organic-inoraginc perovskites
Published 2021“…Detailed cation dynamics of API and IEA was further studied through Solid State Nuclear Magnetic Resonance (SSNMR) and it was shown to be considerably different. …”
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Thesis-Doctor of Philosophy -
4
Solid-state NMR studies of chromatin structure and dynamics
Published 2021“…Our objective is to address this gap using solid-state nuclear magnetic resonance (SSNMR) spectroscopy, which is a state-of-the-art technology to probe protein dynamics at atomic resolution. …”
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Thesis-Doctor of Philosophy -
5
Structural and dynamics study of G-rich sequences relevant to genomic disorders
Published 2020“…In this dissertation, we present structural studies performed on two such repeat sequences GGGGCC and TGG using Nuclear Magnetic Resonance Spectroscopy (NMR) and other biophysical techniques. …”
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Thesis-Doctor of Philosophy -
6
Synthesis of alkali activated materials incorporating municipal solid waste incineration bottom ash
Published 2018“…Chemical structures and compositions of the resulting alkali-activated IBA (AA-IBA) binder were analysed by means of selective chemical extractions, X-ray powder diffraction (XRD), thermal gravimetric analysis (TGA), solid state nuclear magnetic resonance (NMR) spectroscopy with magic angle spinning (MAS) and Fourier-transform infrared (FTIR) spectroscopy. …”
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Thesis-Doctor of Philosophy -
7
Development of novel agonists for the orphan nuclear receptor, Nurr1 : a therapeutic strategy for Parkinson’s disease
Published 2019“…In this thesis, the binding site of these eicosanoids, and their precursors, was characterized on Nurr1 LBD using nuclear magnetic resonance (NMR) spectroscopy. The ability of these ligands to activate the transcriptional function of Nurr1 was determined using a cell-based luciferase reporter system. …”
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Thesis-Doctor of Philosophy -
8
Structural analysis of amyloid fibrils modulated by ATP-independent disaggregase and environmental factors
Published 2024“…This thesis aims to elucidate the mechanisms underlying amyloid disaggregation by an ATP-independent chaperone, Lipocalin Prostaglandin D Synthase (L-PGDS), through the construction of atomic model of TGFBI protein (TGFBIp) G623R fibrils using both cryo-electron microscopy and nuclear magnetic resonance techniques. Additionally, we aim to elucidate the structural details of the complex formed between TGFBIp G623R fibrils and L-PGDS, utilizing both solid and solution state NMR data. …”
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Thesis-Doctor of Philosophy -
9
Development and application of NMR spectroscopy in G-quadruplexes : structure, dynamics and formation in biofilm
Published 2019“…This research was accomplished through a combination of biophysical techniques, primarily Nuclear Magnetic Resonance (NMR) spectroscopy. In this dissertation, G-quadruplex conformational and ligand-interaction dynamics are investigated with NMR spectroscopy. …”
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Thesis-Doctor of Philosophy -
10
Ion structures and populations inside microporous carbon electrodes of electrical double-layer capacitors
Published 2021“…To study the working principles of microporous carbon EDLC, various experimental and theoretical approaches based on nuclear magnetic resonance, molecular dynamics, etc. have been developed in the past decade. …”
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Thesis-Doctor of Philosophy -
11
Advanced multifunctional magneto-polymeric hybrids
Published 2022“…Redox free-radical decomposition mechanism is studied through electron paramagnetic resonance (EPR) characterization, density functional theory (DFT) calculation, as well as nuclear magnetic resonance (NMR) characterization. Magnetic initiator achieved 90 percent monomer conversion after 15 hours polymerization at room temperature, which is comparable to the control system using (Cu(OAc)2) as an initiator and copper source. …”
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Thesis-Doctor of Philosophy -
12
Enantioselective Steglich rearrangement catalysed by chiral guanidinium ion pairs
Published 2023“…Several experimental tools have been comprehensively used to characterise the structure of ion pairs along with the development of experimental techniques, such as X-ray crystallography, Nuclear Magnetic Resonance spectroscopy, Infrared spectroscopy, etc. …”
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Thesis-Doctor of Philosophy -
13
Quantum sensing based on nitrogen vacancy centers in diamond and boron vacancy centers in hexagonal boron nitride
Published 2023“…Our proposed wide-field nuclear magnetic resonance (NMR) microscopy provides a promising solution to address the drawbacks of current technologies. …”
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Thesis-Doctor of Philosophy -
14
Organic compounds for improving quantification of environmental trace elements and to study CO2 conversion via combination of analytical and electrochemical techniques
Published 2020“…A gas chromatography – mass spectrometry method was efficiently developed for quantification of very low product levels that could be present as liquid phase after electrolysis, and that cannot be detected using nuclear magnetic resonance (NMR). In all cases, methanol was detected in limited yields and it is believed to be hindered by the hydrogen evolution reaction (HER), a major competing side reaction. …”
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Thesis-Doctor of Philosophy -
15
Molecular basis of amyloid-β chaperone activity of lipocalin-type prostaglandin D synthase (L-PGDS)
Published 2020“…Interaction between L-PGDS and the monomeric Aβ40 was established using Nuclear magnetic resonance (NMR) spectroscopy and Small-angle X-ray scattering (SAXS) techniques. …”
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Thesis-Doctor of Philosophy -
16
Applications of molecular dynamics simulation in biomolecular folding and recognition
Published 2020“…Experimental evidence for the binding of L-PGDS to Aβ40 was detected in the form of residues that had significant chemical shift perturbations through Nuclear Magnetic Resonance (NMR) Spectroscopy. We aimed to construct a model detailing the interactions between L-PGDS and Aβ40. …”
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Thesis-Doctor of Philosophy -
17
Phase evolution and local structure in [Cs, MA][Pb, Sr][Cl, Br]3 perovskites
Published 2022“…High resolution 133Cs/207Pb/13C/1H magic angle spinning nuclear magnetic resonance spectrometry (MAS-NMR) verified each composition was single-phase and highly ordered. …”
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Thesis-Doctor of Philosophy