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Lisy, James M. Miller, Dorothy Joan 2015-09-28T21:57:27Z 2015-09-28T21:57:27Z 10000-01-01 2007 2007 However, by carefully accounting for differences between gas-phase and solution-phase systems, a better understanding of how competitive noncovalent interactions affect the hydration and structure of flexible biomolecules can be gleaned. By systematically probing inherent gas-phase properties, such as, solvation shell size and occupancy (using K(DFB)m(H2O) n clusters to mimic the weaker ion-molecule interactions present in solution) and cluster temperature (varying the evaporative ligand to obtain clusters in the 250-350 K or 50-150K temperature ranges). These lessons are then applied to understanding the impact of a charged species on the hydrogen-bonded topology and conformational flexibility of small biomolecules: M+(n-methylacetamide)(H 2O)n, M+(indole)m(H2O) n, and M+ (tryptamine)(H2O)n. Made available in DSpace on 2015-09-28T21:57:27Z (GMT). No. of bitstreams: 2 license.txt: 4848 bytes, checksum: 96035ab3f5e1c23cc7138a224ce498bd (MD5) 3301196.pdf: 4780003 bytes, checksum: 58a69341b6bdce1ebdcf92284f021510 (MD5) Previous issue date: 2007 Embargo set by: Seth Robbins for item 89171 Lift date: Forever Reason: Restricted to the U of I community idenfinitely during batch ingest of legacy ETDs Restricted to the U of I community idenfinitely during batch ingest of legacy ETDs U of I Only 171 p. Thesis (Ph.D.)--University of Illinois at Urbana-Champaign, 2007. http://hdl.handle.net/2142/87890 (MiAaPQ)AAI3301196 eng Chemistry, Physical Elucidating the Hydration of Biomolecules: An Experimental and Computational Approach text University of Illinois at Urbana-Champaign Dissertation Ph.D.