Compared to SO42-(H2O)n, the solute-solvent interaction is favorable by C2O4 2- (H2O)n, n = 6∼12, due to two charges separation and more space in C2O42-. Because of the extensive hydration bonds, the stepwise solvation energy is around 15 kcal/mol even for larger clusters. The solvation dynamics for C 2O42-(H2O)n is influenced by the coupling between torsional movement along C-C bond and solute-solvent interaction. / For Na(H2O)n, the "constant IP" observed experimentally for Na(H2O)n is due to autoionization through Rydberg transition induced by the release of large relaxation energy after the removal of unpaired electron. In contrast, the reorganization is less extensive in Na(NH3)n, as both the electron-NH3 and NH 3-NH3 interactions are weaker, and the structure of Na(NH 3)n is determined by the maximization of Na+-NH 3 interaction. The autoinization is no important and the threshold measured in experiment is indeed for ionization of Na(NH3)n. / In the size-dependant charge separation of SO42-(H 2O)n with n = 3∼7, the key factor governing the charge separation is the difference in the strength of solvation interaction: while interaction with water is strong for SO42- and OH-, it is relatively weak for HSO4-. It gives rise to a barrier for charge separation as SO42- is transformed into HSO4- and OH-, although the overall reaction energy is exothermic. The barrier is high when more than two H2O are left to solvate HSO4-. The entropy is another important factor, which leads to the eventual switch-off of charge separation as cluster size increases. / The equilibrium structures of SO42-(H 2O)n with n = 6∼12 are determined by the competition between the solute-solvent and solvent-solvent interactions. Facilitated by SO42- in symmetry, the extensive hydrogen bonds are formed. The stepwise solvation energy is quite large (often exceeding 15 kcal/mol). AIMD simulation shows "crowding" effects in the first solvation of SO42-(H2O)12 at raised temperature. / The structure and solvation of hydrated di-anion (SO4 2-, C2O42-) clusters and solvated Na clusters are explored computationally by the quantum chemical calculation using Gaussian programme, and by the density functional theory based ab initio molecular dynamics (AIMD) method using Vienna Ab Initio Simulation Package (VASP). / Gao Bing. / "May 2006." / Adviser: Zhi-feng Liu. / Source: Dissertation Abstracts International, Volume: 67-11, Section: B, page: 6420. / Thesis (Ph.D.)--Chinese University of Hong Kong, 2006. / Includes bibliographical references (p. 131-139). / Electronic reproduction. Hong Kong : Chinese University of Hong Kong, [2012] System requirements: Adobe Acrobat Reader. Available via World Wide Web. / Electronic reproduction. [Ann Arbor, MI] : ProQuest Information and Learning, [200-] System requirements: Adobe Acrobat Reader. Available via World Wide Web. / Abstracts in English and Chinese. / School code: 1307.

Wong, Pui Shuen. / Thesis (M.Phil.)--Chinese University of Hong Kong, 2011. / Includes bibliographical references (leaves 92-96). / Abstracts in English and Chinese. / Title Page --- p.i / Abstract (English) --- p.ii / Abstract (Chinese) --- p.iii / Acknowledgements --- p.iv / Table of Contents --- p.V / List of Tables --- p.viii / List of Figures --- p.ix / List of Schemes --- p.xi / Symbols and Abbreviations --- p.xii / Dedication --- p.xiv / Chapter Chapter 1 --- Introduction / Chapter 1.1 --- Mass Spectrometry of peptides/ proteins --- p.1 / Chapter 1.1.1 --- Electrospray ionization of peptides/ proteins --- p.3 / Chapter 1.2 --- Tandem mass spectrometry of peptides/ proteins --- p.4 / Chapter 1.2.1 --- Nomenclature of peptide fragment ions --- p.5 / Chapter 1.2.2 --- Slow heating methods for MSn --- p.6 / Chapter 1.2.2.1 --- Collision induced dissociation --- p.7 / Chapter 1.2.3 --- "Electron based ion activation for MS""" --- p.8 / Chapter 1.3 --- Electron Capture Dissociation --- p.9 / Chapter 1.3.1 --- ECD mechanism for protonated peptide ions --- p.10 / Chapter 1.3.2 --- ECD efficiency --- p.12 / Chapter 1.3.3 --- ECD of metal ions-adducted peptide --- p.13 / Chapter 1.4 --- Overview of present work --- p.14 / Chapter Chapter 2 --- "Instrumentation, Experimental and Calculations" / Chapter 2.1 --- Fourier-transform Ion Cyclotron Resonance Mass Spectrometer --- p.15 / Chapter 2.1.1 --- Basic principle of FTICR-MS --- p.15 / Chapter 2.1.2 --- The instrument --- p.19 / Chapter 2.1.2.1 --- Vacuum system --- p.19 / Chapter 2.1.2.2 --- Nanospray source --- p.24 / Chapter 2.1.2.3 --- Electrostatic ion focusing system --- p.26 / Chapter 2.1.2.4 --- Infinity´ёØ Cell --- p.28 / Chapter 2.1.2.5 --- Electron emission source --- p.29 / Chapter 2.1.2.6 --- Data acquisition system --- p.31 / Chapter 2.2 --- Experimental --- p.31 / Chapter 2.2.1 --- Acquisition pulse program --- p.31 / Chapter 2.2.1.1 --- Simple ESI acquisition pulse program (MS experiment) --- p.31 / Chapter 2.2.1.2 --- ESI-ECD acquisition pulse program (MS experiment) --- p.34 / Chapter 2.2.2 --- Molecular mechanics calculation --- p.36 / Chapter Chapter 3 --- Structural Parameters Affecting Suppression of N-Ca Cleavages of Peptides Ions after Electron Capture / Chapter 3.1 --- Introduction --- p.37 / Chapter 3.2 --- Experimental section --- p.39 / Chapter 3.3 --- Results and Discussion --- p.40 / Chapter 3.3.1 --- Peptides with three arginine residues --- p.40 / Chapter 3.3.1.1 --- General ECD mass spectra features --- p.40 / Chapter 3.3.1.2 --- Comparison of the extent of suppression of triariginated and diarginated model peptides ions --- p.46 / Chapter 3.3.2 --- Peptides with histidine and lysine as proton carriers --- p.47 / Chapter 3.3.2.1 --- General features of ECD mass spectra --- p.47 / Chapter 3.3.2.2 --- Comparison of ECD behavior of peptide ions with different proton carrier --- p.50 / Chapter 3.3.3 --- Peptides with various chain length --- p.53 / Chapter 3.3.3.1 --- General ECD mass spectra features --- p.53 / Chapter 3.3.3.2 --- Reactivation of [M+2H]+* by collision activation --- p.57 / Chapter 3.3.3.3 --- Significance of glutamic acid residues --- p.57 / Chapter 3.3.3.4 --- Results of conformational searches --- p.60 / Chapter 3.4 --- Conclusions --- p.64 / Chapter Chapter 4 --- Investigation of the Role of Conformation of Peptide Ions in Suppression of Backbone fragmentation / Chapter 4.1 --- Introduction --- p.67 / Chapter 4.2 --- Experimental section --- p.69 / Chapter 4.3 --- Results and Discussion --- p.70 / Chapter 4.3.1 --- Peptide with N-methylated amino acid residues --- p.70 / Chapter 4.3.1.1 --- General features of ECD mass spectra --- p.70 / Chapter 4.3.1.2 --- Comparison between normal and N-methylated peptide ions under ECD --- p.72 / Chapter 4.3.2 --- Peptides with proline residues vi --- p.73 / Chapter 4.3.2.1 --- General ECD mass spectra features --- p.73 / Chapter 4.3.2.2 --- Comparison of ECD of peptide ions with and without proline residues --- p.76 / Chapter 4.3.3 --- Transition metal ions as charge carriers --- p.80 / Chapter 4.3.3.1 --- General ECD mass spectra features --- p.80 / Chapter 4.3.3.2 --- Comparison of ECD behavior using proton and metal ions as charge carrier --- p.85 / Chapter 4.4 --- Conclusions --- p.87 / Chapter Chapter 5 --- Conclusions --- p.90 / References --- p.92 / Chapter Appendix I --- Twenty common amino acids --- p.97 / Chapter Appendix II --- Pulse programs for MS and MSn experiments --- p.98

We find ourselves at a unique place in American history: language is losing its value; decency--or "political correctness"--is becoming taboo; and our future is legislated by those who feel they have been left behind. The stories in Animals Coupling don't attempt to explain contemporary America, but they do attempt to demonstrate (through language, character, style, and circumstance) an expressive rendering of what it looks and feels like to live in the here and now. There is a sense of detachment threading through these works, along with absurdity, loneliness, humor and anomie. But though a minor key may ring loudest, Animals Coupling ultimately, is an exploration of humanity, and hope.

Progress in the study and treatment of Dissociative Identity Disorder (DID) has been hampered by ideological debate regarding its validity. This is particularly the case when patient's suffering from DID also report ritualistic abuse. Part of the difficulty has been that past studies have not established independent checks to assess whether alters are artefacts introduced by therapeutic bias. This study addressed this issue by using independent judges to test the validity of a patient being treated for DID who claimed ritualistic abuse. The judges were 16 clinicians with an average of 21 years experience in their respective disciplines. The study also examined the development and treatment of alter personalities through a detailed examination of case material. The patient had been in continuous therapy with the author and treatment had been conducted using the self psychology model. The study involved three phases.

Dissociative symptoms and abnormalities in pain perception have been associated with a range of disorders. We tested whether experimentally induced increases in state dissociation would cause an analgesic response, and whether this effect would be moderated by participants' history of trauma and dissociative experiences. Participants (n=120) were classified based on their histories of traumatic and dissociative experiences: No trauma or dissociation (NN), trauma without dissociation (TN), or trauma with dissociation (TD). All participants were randomized to a dissociation induction condition via audiophotic stimulation or a credible control condition and were compared on prepost changes in subjective pain and pain tolerance in response to a standard cold-pressor test. Unexpectedly, dissociation induction did not lead to greater pain tolerance or reduced self-reported pain. However, increases in state dissociation significantly predicted increased immersion time and decreased subjective pain. / text

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Thesis (Ph.D.)--Tufts University, 2003. / Adviser: Arthur L. Utz. Submitted to the Dept. of Chemistry. Includes bibliographical references. Access restricted to members of the Tufts University community. Also available via the World Wide Web;

Thesis--St. Louis University. / Vita. Includes bibliographical references. Also issued in print.

Diss.--Philosophische Fakultät I--Zürich--Universität, 1990.