by Sik Lok Lam. / The "2" in the title is subscript. / Thesis (Ph.D.)--Chinese University of Hong Kong, 1996. / Includes bibliographical references (leaves 184-197). / ABSTRACT --- p.iii / ACKNOWLEDGEMENTS --- p.v / Chapter CHAPTER ONE: --- LITERATURE SURVEY OF SEQUENCE-SPECIFIC LOCAL STRUCTURAL VARIATIONS IN DEOXYRIBONUCLEIC ACID MOLECULES --- p.1 / Chapter 1.1 --- Introduction --- p.1 / Chapter 1.2 --- General Review of DNA --- p.1 / Chapter 1.2.1 --- "Nomenclature, Symbols and Atomic Numbering Scheme of DNA" --- p.2 / Chapter 1.2.2 --- Conformations of DNAs --- p.6 / Chapter 1.2.3 --- Helix-to-Random-Coil Transition --- p.9 / Chapter 1.3 --- Sequence-Specific Local Structural Studies --- p.11 / Chapter 1.4 --- Purpose of This Work --- p.14 / Chapter CHAPTER TWO: --- DETERMINATION OF STRUCTURES OF SOLUTION DNA MOLECULES --- p.17 / Chapter 2.1 --- Introduction --- p.17 / Chapter 2.2 --- Optimization of Conditions --- p.17 / Chapter 2.3 --- Resonance Assignments --- p.19 / Chapter 2.4 --- Extraction of Structural Constraints --- p.22 / Chapter 2.4.1 --- Interproton Distances --- p.23 / Chapter 2.4.2 --- Endocyclic Sugar Torsion Angles --- p.25 / Chapter 2.4.3 --- Phosphate Backbone Torsion Angles --- p.29 / Chapter 2.4.4 --- Hydrogen Bonds --- p.31 / Chapter 2.5 --- Structural Refinement --- p.31 / Chapter CHAPTER THREE: --- SIGNIFICANCE OF DIFFERENT TYPES OF STRUCTURAL CONSTRAINTS IN STRUCTURAL REFINEMENT PROCESS --- p.35 / Chapter 3.1 --- Introduction --- p.35 / Chapter 3.2 --- Experimental --- p.36 / Chapter 3.2.1 --- DNA Model Building --- p.36 / Chapter 3.2.2 --- Generation of Structural Constraints --- p.37 / Chapter 3.2.3 --- Structural Refinement --- p.40 / Chapter 3.3 --- Results and Discussion --- p.41 / Chapter 3.3.1 --- Endocyclic Sugar Torsion Angle Constraints --- p.45 / Chapter 3.3.2 --- Phosphate Backbone Torsion Angle Constraints --- p.49 / Chapter 3.3.3 --- Hydrogen Bond Constraints --- p.50 / Chapter 3.4 --- Summary --- p.50 / Chapter CHAPTER FOUR: --- EFFECTS OF DIFFERENT VARIABLES IN THE RESTRAINED MOLECULAR DYNAMICS PROCESS --- p.52 / Chapter 4.1 --- Introduction --- p.52 / Chapter 4.2 --- Experimental --- p.53 / Chapter 4.3 --- Results and Discussion --- p.55 / Chapter 4.3.1 --- Variables in the Temperature Profile --- p.58 / Chapter 4.3.2 --- Variables in the Force Constant Profile --- p.62 / Chapter 4.4 --- Summary --- p.65 / Chapter CHAPTER FIVE: --- THE J-COUPLING RESTRAINED MOLECULAR MECHANICS PROTOCOL - AN EFFICIENT AND RELIABLE ALTERNATIVE IN DERIVING ENDOCYCLIC SUGAR TORSION ANGLE CONSTRAINTS --- p.66 / Chapter 5.1 --- Introduction --- p.66 / Chapter 5.2 --- Methodology --- p.71 / Chapter 5.2.1 --- "Establishment of the Correlation of 3J1'2, withvi" --- p.71 / Chapter 5.2.2 --- Sample Preparation --- p.73 / Chapter 5.2.3 --- NMR Analysis --- p.73 / Chapter 5.2.4 --- Theoretical Testing of the Protocol --- p.74 / Chapter 5.2.5 --- Experimental Testing of the Protocol --- p.75 / Chapter 5.3 --- Results and Discussion --- p.76 / Chapter 5.3.1 --- Selection of the Appropriate JrMM-derived Torsion Angles --- p.85 / Chapter 5.3.2 --- Theoretical Testing of the Protocol --- p.88 / Chapter 5.3.3 --- Experimental Testing of the Protocol --- p.93 / Chapter 5.4 --- Summary --- p.98 / Chapter CHAPTER SIX: --- HETERONUCLEAR SINGLE QUANTUM COHERENCE DERIVED BACKBONE TORSION ANGLE CONSTRAINTS --- p.99 / Chapter 6.1 --- Introduction --- p.99 / Chapter 6.2 --- Experimental --- p.102 / Chapter 6.3 --- Results and Discussion --- p.103 / Chapter 6.3.1 --- Determination of the Backbone Torsion Angles β and E --- p.103 / Chapter 6.3.2 --- Error Estimation on 3JC4'p- and 3JH3'p-derived E --- p.109 / Chapter 6.4 --- Summary --- p.110 / Chapter CHAPTER SEVEN: --- SOLUTION STRUCTURES OF d(CGXX，CG)2 AND d(CAXX´ةTG)2 --- p.111 / Chapter 7.1 --- Introduction --- p.111 / Chapter 7.2 --- Experimental --- p.111 / Chapter 7.2.1 --- Sample Preparation --- p.112 / Chapter 7.2.2 --- Resonance Assignment --- p.112 / Chapter 7.2.3 --- Melting Profile Study --- p.112 / Chapter 7.2.4 --- Extraction of Structural Constraints --- p.113 / Chapter 7.2.5 --- Structural Refinement --- p.115 / Chapter 7.2.6 --- Structural Parameter Analysis --- p.116 / Chapter 7.3 --- Results and Discussion --- p.116 / Chapter 7.3.1 --- Melting Profile Study --- p.117 / Chapter 7.3.2 --- Structural Constraints --- p.120 / Chapter 7.3.3 --- Structural Refinement --- p.129 / Chapter 7.3.4 --- Structural Features --- p.135 / Chapter CHAPTER EIGHT: --- SEQUENCE-SPECIFIC LOCAL STRUCTURAL STUDY --- p.156 / Chapter 8.1 --- Introduction --- p.156 / Chapter 8.2 --- Predictions from the Calladine's Rules --- p.156 / Chapter 8.3 --- Predictions from Olson's Base-Pair Morphology Dependent Clash Function --- p.160 / Chapter 8.4 --- Re-formulation of Calladine's Idea and its Relationship to Sequence-Specific Local Structural Function ΣLS --- p.163 / Chapter 8.4.1 --- Sequence-Specific Base-Pair Geometry Analysis --- p.164 / Chapter 8.4.2 --- Sequence-Specific Base-Pair Step Geometry Analysis --- p.166 / Chapter 8.4.3 --- Sequence-Specific Local Structural Function ΣLS --- p.167 / Chapter 8.5 --- Summary --- p.173 / Chapter CHAPTER NINE: --- CONCLUSIONS AND FURTHER WORK --- p.174 / APPENDIX I The Base Proton Regions of the lH NMR Spectra of the Hexamers --- p.177 / APPENDIX II 2D NOESY Spectra (Tm = 200 ms) of the Hexamers --- p.178 / "APPENDIX III The H1'-H27H2"" Regions of the DQF-COSY Spectra of the Hexamers" --- p.180 / APPENDIX IV The C4'-H4' Regions of the HSQC Spectra of the Hexamers --- p.182 / REFERENCES --- p.184
| Identifer | oai:union.ndltd.org:cuhk.edu.hk/oai:cuhk-dr:cuhk_321623 |
| Date | January 1996 |
| Contributors | Lam, Sik Lok., Chinese University of Hong Kong Graduate School. Division of Chemistry. |
| Publisher | Chinese University of Hong Kong |
| Source Sets | The Chinese University of Hong Kong |
| Language | English |
| Detected Language | English |
| Type | Text, bibliography |
| Format | print, xviii, 197 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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