Au Yuen-yee. / Thesis (M.Phil.)--Chinese University of Hong Kong, 2001. / Includes bibliographical references (leaves 140-152). / Abstracts in English and Chinese. / Abstract --- p.iii / Acknowledgements --- p.v / Chapter Chapter One: --- General Background and Introduction --- p.1 / Chapter 1 -1 --- Introduction --- p.1 / Chapter 1-2 --- Three-Bond Coupling Constants (3J) --- p.1 / Chapter 1-2-1 --- Development of the Karplus Equation --- p.1 / Chapter 1-2-2 --- Application of3J in the Conformational Analysis of Nucleic Acid --- p.4 / Chapter 1-2-3 --- Problem of Accuracy for3 J Measurement --- p.7 / Chapter 1-3 --- Two-Bond Coupling Constants (2J) --- p.7 / Chapter 1-3-1 --- The Use of the Projection Method --- p.7 / Chapter 1-3-2 --- 2J Coupling Constant Involving Hydrogen Bonds --- p.8 / Chapter 1-4 --- One-Bond Coupling Constants (1J) --- p.10 / Chapter 1-5 --- Conclusion --- p.11 / Chapter Chapter Two: --- Experimental Section / Chapter 2-1 --- Introduction --- p.12 / Chapter 2-2 --- Heteronuclear Multiple-Quantum Coherence (HMQC) Experiment --- p.12 / Chapter 2-3 --- Experimental Section --- p.15 / Chapter 2-3-1 --- Sample Preparation --- p.15 / Chapter 2-3-2 --- NMR Spectroscopy --- p.16 / Chapter Chapter Three: --- Theory of Nuclear Spin-Spin Coupling Constants --- p.18 / Chapter 3-1 --- Introduction --- p.18 / Chapter 3-2 --- Application of Finite Perturbation Theory on Nuclear Spin-Spin Coupling --- p.18 / Chapter 3-3 --- Methodology --- p.22 / Chapter Chapter Four: --- DFT and NMR Study of1JCH Coupling Constants --- p.28 / Chapter 4-1 --- Introduction --- p.28 / Chapter 4-2 --- Nomenclature and Definition of Structural Parametersin DNA and RNA --- p.28 / Chapter 4-2-1 --- "Nomenclature, Symbols and Atomic Numbering Schemes" --- p.28 / Chapter 4-2-2 --- Definition of Torsion Angles and their Rangesin Nucleotides --- p.31 / Chapter 4-2-3 --- Description of the Furanose Ring --- p.31 / Chapter 4-3 --- Results and Discussion --- p.37 / Chapter 4-3-1 --- Basis Set Effect --- p.37 / Chapter 4-3-2 --- Relative Conformational Energy Profiles --- p.37 / Chapter 4-3-3 --- Comparison of the Dependence of 1JCH Coupling Constants on Conformational Changes With and Without the DNA Backbone --- p.40 / Chapter 4-3-4 --- Effect of Backbone 3'- and 5'-Phosphate --- p.42 / Chapter 4-3-5 --- Effect of Glycosidic Torsion Anglex --- p.49 / Chapter 4-3-6 --- Effect of Ring Conformation with Fixed Glycosidic Torsion Anglex --- p.52 / Chapter 4-3-7 --- Effect of Torsion Angle α --- p.52 / Chapter 4-3-8 --- Effect of Torsion Angle β --- p.53 / Chapter 4-3-9 --- Effect of Torsion Angle γ --- p.56 / Chapter 4-3-10 --- Effect of Torsion Angle ε --- p.59 / Chapter 4-3-11 --- Effect of Torsion Angle ζ --- p.61 / Chapter 4-3-12 --- Effect of Base Pairing --- p.65 / Chapter 4-3-13 --- Effect of Base Stacking from the (n-1) and (n+1) Base --- p.65 / Chapter 4-3-14 --- Comparison of Experimental and Theoretical Data --- p.68 / Chapter 4-4 --- Conclusion --- p.74 / Chapter Chapter Five: --- DFT Study of 2JCH and 3JCH Coupling Constants --- p.79 / Chapter 5-1 --- Introduction --- p.79 / Chapter 5-2 --- Results and Discussion on 2JCH Coupling Constants --- p.79 / Chapter 5-2-1 --- Effect of Backbone 3'- and 5'-Phosphate --- p.79 / Chapter 5-2-2 --- Effect of Ring Conformation with Fixed Glycosidic Torsion Anglex --- p.82 / Chapter 5-2-3 --- Effect of Glycosidic Torsion Anglex --- p.87 / Chapter 5-2-4 --- Effect of Torsion Angleγ --- p.87 / Chapter 5-2-5 --- Effect of Torsion Angle ε --- p.90 / Chapter 5-2-6 --- Effect of Base Pairing --- p.90 / Chapter 5-2-7 --- Effect of Base Stacking from the (n-1) and (n+1) Base --- p.90 / Chapter 5-3 --- Results and Discussion on 3JCH Coupling Constants --- p.95 / Chapter 5-3-1 --- Effect of Backbone 3'- and 5'-Phosphate --- p.95 / Chapter 5-3-2 --- Effect of Ring Conformation with Fixed Glycosidic Torsion Anglex --- p.95 / Chapter 5-3-3 --- "Effect of Different Torsion Angles (X,α,β,γ,ε,and ζ)" --- p.100 / Chapter 5-3-4 --- Effect of Base Pairing --- p.100 / Chapter 5-3-5 --- Effect of Base Stacking from the (n-1) and (n+1) Base --- p.105 / Chapter 5-4 --- Conclusion --- p.105 / Chapter Chapter Six: --- Conclusion --- p.111 / Appendix A Product Operator Formalism on HMQC Pulse Scheme --- p.113 / Appendix B Finite Perturbation Theory --- p.115 / Appendix C Supplementary Figures of Chapter Four --- p.118 / Appendix D Some of the NMR Spectra --- p.134 / References --- p.140
| Identifer | oai:union.ndltd.org:cuhk.edu.hk/oai:cuhk-dr:cuhk_323587 |
| Date | January 2001 |
| Contributors | Au, Yuen-yee., Chinese University of Hong Kong Graduate School. Division of Chemistry. |
| Source Sets | The Chinese University of Hong Kong |
| Language | English, Chinese |
| Detected Language | English |
| Type | Text, bibliography |
| Format | print, xiv, 152 leaves : ill. ; 30 cm. |
| Rights | Use of this resource is governed by the terms and conditions of the Creative Commons “Attribution-NonCommercial-NoDerivatives 4.0 International” License (http://creativecommons.org/licenses/by-nc-nd/4.0/) |
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