Thesis (Ph.D.)--Massachusetts Institute of Technology, Dept. of Chemistry, 1979. / MICROFICHE COPY AVAILABLE IN ARCHIVES AND SCIENCE. / Includes bibliographical references. / Ph.D.

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Cheung Chung Hong. / Thesis (M.Phil.)--Chinese University of Hong Kong, 2005. / Includes bibliographical references (leaves 126-137). / Abstracts in English and Chinese. / ABSTRACT (English version) --- p.iii / ABSTRACT (Chinese version) --- p.vi / ACKNOWLEDGMENTS --- p.viii / TABLE OF CONTENTS --- p.ix / LIST OF FIGURES --- p.xiii / LIST OF TABLES --- p.xvii / Chapter CHAPTER ONE: --- INTRODUCTION --- p.1 / Chapter 1.1 --- Molecular Structure Determination --- p.1 / Chapter 1.2 --- Methods for Structure Determination --- p.1 / Chapter 1.2.1 --- Infrared (IR) Spectroscopy --- p.1 / Chapter 1.2.2 --- Electron Microscopy (EM) --- p.2 / Chapter 1.2.3 --- X-ray Diffraction (XRD) --- p.2 / Chapter 1.2.4 --- Nuclear Magnetic Resonance (NMR) Spectroscopy --- p.3 / Chapter 1.3 --- Solid State NMR Spectroscopy 一 Chemical Shielding Tensor --- p.4 / Chapter 1.4 --- Scope of This Thesis --- p.6 / Chapter CHAPTER TWO: --- PRINCIPLE AND THEORY --- p.7 / Chapter 2.1 --- Introduction --- p.7 / Chapter 2.2 --- Chemical Shielding Tensor (CST) --- p.7 / Chapter 2.2.1 --- Basis of Nuclear Magnetic Resonance --- p.7 / Chapter 2.2.2 --- Theoretical Description of CST --- p.8 / Chapter 2.3 --- CST Calculation --- p.11 / Chapter 2.3.1 --- Ramsey's Theory --- p.11 / Chapter 2.3.2 --- Gauge-including Atomic Orbitals (GIAO) Method --- p.13 / Chapter 2.4 --- Density Functional Theory (DFT) --- p.14 / Chapter 2.4.1 --- KS Theorem --- p.14 / Chapter 2.4.2 --- B3LYP - Hybrid DFT Functional --- p.16 / Chapter 2.5 --- Molecular Mechanic (MM) --- p.16 / Chapter 2.5.1 --- Basis Principle 一 Ball and Spring Model --- p.16 / Chapter 2.5.2 --- MM+ --- p.18 / Chapter 2.5.2.1 --- Bond Stretching --- p.18 / Chapter 2.5.2.2 --- Bond Bending --- p.19 / Chapter 2.5.2.3 --- Torsional Motion --- p.19 / Chapter 2.5.2.4 --- van der Waals Interaction --- p.19 / Chapter 2.5.2.5 --- Electrostatic Interaction --- p.20 / Chapter 2.5.2.6 --- Stretching-bending Interaction --- p.21 / Chapter 2.6 --- Isodesmic Reaction --- p.21 / Chapter CHAPTER THREE: --- METHODOLOGY AND EVALUATION --- p.23 / Chapter 3.1 --- Introduction --- p.23 / Chapter 3.2 --- Computational Method --- p.24 / Chapter 3.2.1 --- Evaluation of Different NMR Computation Level --- p.24 / Chapter 3.2.2 --- Computational Error 一 Round Off Error --- p.32 / Chapter 3.3 --- Local Structure Determination and Evaluation --- p.34 / Chapter 3.3.1 --- Methodology --- p.34 / Chapter 3.3.2 --- Definition of Local Structure --- p.37 / Chapter 3.3.3 --- Models used in Local Structure Determination --- p.37 / Chapter 3.3.3.1 --- Model without CST Modification (Mod-1) --- p.38 / Chapter 3.3.3.2 --- Models with CST Modification --- p.39 / Chapter 3.3.3.2.1 --- Model Using Correction Factors (Mod-2) --- p.39 / Chapter 3.3.3.2.2 --- Model Using Linear Equation (Mod-3) --- p.40 / Chapter 3.3.4 --- Evaluation - Me2P(S)C(OH)R1R2 --- p.41 / Chapter 3.4 --- Determination of Possible Conformation in Powder and Evaluation --- p.53 / Chapter 3.4.1 --- Introduction --- p.53 / Chapter 3.4.2 --- Methodology --- p.54 / Chapter 3.4.2.1 --- Preparation of Calibration Curve --- p.54 / Chapter 3.4.2.2 --- Determination of Possible Conformation Contributing to the Observed CST --- p.57 / Chapter 3.4.3 --- Evaluation --- p.59 / Chapter 3.5 --- Discussion --- p.72 / Chapter 3.5.1 --- Factors Affecting CST --- p.72 / Chapter 3.5.1.1 --- Inter-molecular Interaction --- p.72 / Chapter 3.5.1.1.1 --- O-H----S --- p.73 / Chapter 3.5.1.1.2 --- C-H----S --- p.78 / Chapter 3.5.1.1.3 --- van der Waals Forces --- p.80 / Chapter 3.5.1.2 --- Conformation --- p.81 / Chapter 3.5.2 --- Effect of Experimental Error on the Calculated Structure --- p.82 / Chapter 3.6 --- Summary --- p.84 / Chapter CHAPTER FOUR: --- APPLICATIONS --- p.86 / Chapter 4.1 --- Introduction --- p.86 / Chapter 4.2 --- Tetramethyldiphoshine Disulfide (TMPS) --- p.86 / Chapter 4.2.1 --- Local Structure --- p.87 / Chapter 4.2.2 --- Conformation --- p.92 / Chapter 4.3 --- "Carbon Compounds : 1,3,5-Trimethoxybenzene (1,3,5-TMB) and 1,4-Dimethoxybenzene (1,4-DMB)" --- p.97 / Chapter 4.3.1 --- Local Structure --- p.98 / Chapter 4.3.2 --- Conformation --- p.103 / Chapter 4.4 --- Conclusion --- p.110 / Chapter CHAPTER FIVE: --- CONCLUSIONS --- p.111 / APPENDIX --- p.114 / REFERENCES --- p.126

Hu Hong Bing. / "May 2004." / "13" in title is superscript. / Thesis (Ph.D.)--Chinese University of Hong Kong, 2004. / Includes bibliographical references. / Electronic reproduction. Hong Kong : Chinese University of Hong Kong, [2012] System requirements: Adobe Acrobat Reader. Available via World Wide Web. / Mode of access: World Wide Web. / Abstracts in English and Chinese.

Keung Yim Mei. / "October 2001." / Thesis (Ph.D.)--Chinese University of Hong Kong, 2001. / Includes bibliographical references (p. 187-195). / Electronic reproduction. Hong Kong : Chinese University of Hong Kong, [2012] System requirements: Adobe Acrobat Reader. Available via World Wide Web. / Mode of access: World Wide Web. / Abstracts in English and Chinese.

by Wang Guo-Xin. / "April 2004." / Thesis (Ph.D.)--Chinese University of Hong Kong, 2004. / Includes bibliographical references (p. 184-194). / Electronic reproduction. Hong Kong : Chinese University of Hong Kong, [2012] System requirements: Adobe Acrobat Reader. Available via World Wide Web. / Mode of access: World Wide Web. / Abstracts in English and Chinese.

by Zhou ping. / Thesis (Ph.D.)--Chinese University of Hong Kong, 1997. / Includes bibliographical references (p. 160-170). / Electronic reproduction. Hong Kong : Chinese University of Hong Kong, [2012] System requirements: Adobe Acrobat Reader. Available via World Wide Web. / Mode of access: World Wide Web.

abstract: The physiological phenomenon of sensing temperature is detected by transient receptor (TRP) ion channels, which are pore forming proteins that reside in the membrane bilayer. The cold and hot sensing TRP channels named TRPV1 and TRPM8 respectively, can be modulated by diverse stimuli and are finely tuned by proteins and lipids. PIRT (phosphoinositide interacting regulator of TRP channels) is a small membrane protein that modifies TRPV1 responses to heat and TRPM8 responses to cold. In this dissertation, the first direct measurements between PIRT and TRPM8 are quantified with nuclear magnetic resonance and microscale thermophoresis. Using Rosetta computational biology, TRPM8 is modeled with a regulatory, and functionally essential, lipid named PIP2. Furthermore, a PIRT ligand screen identified several novel small molecular binders for PIRT as well a protein named calmodulin. The ligand screening results implicate PIRT in diverse physiological functions. Additionally, sparse NMR data and state of the art Rosetta protocols were used to experimentally guide PIRT structure predictions. Finally, the mechanism of thermosensing from the evolutionarily conserved sensing domain of TRPV1 was investigated using NMR. The body of work presented herein advances the understanding of thermosensing and TRP channel function with TRP channel regulatory implications for PIRT. / Dissertation/Thesis / Doctoral Dissertation Biochemistry 2018

Wu, Feng. / Thesis (M.Phil.)--Chinese University of Hong Kong, 2010. / Includes bibliographical references (leaves 38-44). / Abstracts in English and Chinese. / Title Page --- p.i / Thesis Committee --- p.ii / Acknowledgment --- p.iv / Table of Contents --- p.v / List of Figures --- p.vii / List of Abbreviations and Symbols --- p.xi / Abstract (English version) --- p.xii / Abstract (Chinese version) --- p.xiii / Chapter 1 --- Introduction --- p.1 / Chapter 1.1 --- Significance of DNA CCTG repeats --- p.1 / Chapter 1.2 --- Objectives of this work --- p.2 / Chapter 1.3 --- DNA structure --- p.3 / Chapter 2 --- Materials and Methods --- p.5 / Chapter 2.1 --- Sample design --- p.5 / Chapter 2.2 --- Sample preparation --- p.5 / Chapter 2.3 --- NMR spectroscopy --- p.6 / Chapter 2.4 --- Resonance assignment --- p.7 / Chapter 3 --- NMR Structural Studies of (CCTG)3 --- p.9 / Chapter 3.1 --- Overview --- p.9 / Chapter 3.2 --- NMR resonance assignments --- p.9 / Chapter 3.3 --- Formation of two-residue CT-loop in the middle repeat of (CCTG)3 --- p.12 / Chapter 3.4 --- C-bulge and T.T mispair in (CCTG)3 hairpin stem region --- p.13 / Chapter 3.5 --- Summary --- p.15 / Chapter 4 --- NMR Structural Studies of (CCTG)4 --- p.16 / Chapter 4.1 --- Overview --- p.16 / Chapter 4.2 --- Conformational exchange in (CCTG)4 --- p.16 / Chapter 4.3 --- Formation of two-residue CT-loops in different repeats of (CCTG)4 --- p.17 / Chapter 4.4 --- Mutational studies of (CCTG)4 --- p.19 / Chapter 4.4.1 --- Mutational studies on the 1st repeat of (CCTG)4: (CCTG)4-C2T --- p.19 / Chapter 4.4.2 --- Mutational studies on the 2nd repeat of (CCTG)4：(CCTG)4-C6T --- p.21 / Chapter 4.4.3 --- Mutational studies on the 3rd repeat of (CCTG)4：(CCTG)4-C 10T --- p.26 / Chapter 4.4.4 --- Mutational studies on the 4th repeat of (CCTG)4: (CCTG)4-C14T --- p.28 / Chapter 4.5 --- Summary --- p.33 / Chapter 5 --- Conclusions and Future Works --- p.35 / References --- p.38