{"id":{"repo_id":"uiuc","oai_identifier":"oai:www.ideals.illinois.edu:2142/87890"},"canonical_url":"https://search.dev.ndltd.org/etd/uiuc/oai:www.ideals.illinois.edu:2142/87890","repository":{"repo_id":"uiuc","name":"University of Illinois - Urbana-Champaign","base_url":"https://www.ideals.illinois.edu/oai-pmh"},"display":{"title":"Elucidating the Hydration of Biomolecules: An Experimental and Computational Approach","abstract":"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.","abstract_html":"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.","abstract_has_math":false,"creators":["Miller, Dorothy Joan"],"institution":"University of Illinois at Urbana-Champaign","degree_name":"Ph.D.","degree_level":"Dissertation","degree_discipline":null,"degree_department":null,"school":null,"contributors":["Lisy, James M."],"advisors":[],"committee_chairs":[],"committee_members":[],"year":2015,"date_issued":"2015-09-28T21:57:27Z","date_published":"2015-09-28T21:57:27Z","updated_at":"2026-07-22T22:26:31Z","subjects":["Chemistry, Physical"],"languages":["eng"],"rights":[],"rights_urls":[],"identifier_entries":[{"key":"dc:identifier","label":"Identifier","values":["(MiAaPQ)AAI3301196"],"render_values":[{"text":"(MiAaPQ)AAI3301196","href":null,"code":true}]}]},"links":{"outbound_url":"http://hdl.handle.net/2142/87890","outbound_label":"Handle","outbound_source":"dc:identifier"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor","label":"Contributor","values":["Lisy, James M."]},{"key":"dc:creator","label":"Author","values":["Miller, Dorothy Joan"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date","label":"Dc Date","values":["2015-09-28T21:57:27Z","10000-01-01","2007"]},{"key":"dc:type","label":"Dc Type","values":["text"]},{"key":"thesis:degree_level","label":"Degree Level","values":["Dissertation"]},{"key":"thesis:degree_name","label":"Degree Name","values":["Ph.D."]},{"key":"thesis:institution_name","label":"Thesis Institution Name","values":["University of Illinois at Urbana-Champaign"]}]},{"id":"subjects_keywords","label":"Subjects and Keywords","entries":[{"key":"dc:subject","label":"Dc Subject","values":["Chemistry, Physical"]}]},{"id":"language_rights","label":"Language and Rights","entries":[{"key":"dc:language","label":"Dc Language","values":["eng"]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier","label":"Identifier","values":["http://hdl.handle.net/2142/87890","(MiAaPQ)AAI3301196"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description","label":"Description","values":["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). 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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). 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