{"id":{"repo_id":"uiuc","oai_identifier":"oai:www.ideals.illinois.edu:2142/84170"},"canonical_url":"https://search.dev.ndltd.org/etd/uiuc/oai:www.ideals.illinois.edu:2142/84170","repository":{"repo_id":"uiuc","name":"University of Illinois - Urbana-Champaign","base_url":"https://www.ideals.illinois.edu/oai-pmh"},"display":{"title":"Theoretical Studies of the Solvation, Dynamics, and Photochemistry of Ethylene, Retinal Protonated Schiff Base, Oligocellulose, and Gd(III) Clusters","abstract":"The solution dynamics of an anomerically pure series of cellulose oligomers have been studied by 13C NMR relaxation techniques and compared to molecular dynamics (MD) simulations. We found evidence of anisotropic motion across the series, with experimentally determined order parameters (S 2) ranging from 0.30 to 0.52 and computationally determined S 2 values of 0.40 to 0.73. Together experiment and simulation indicate that each glycosidic linkage becomes much more rigid as the oligosaccharide increases in length.","abstract_html":"The solution dynamics of an anomerically pure series of cellulose oligomers have been studied by 13C NMR relaxation techniques and compared to molecular dynamics (MD) simulations. We found evidence of anisotropic motion across the series, with experimentally determined order parameters (S 2) ranging from 0.30 to 0.52 and computationally determined S 2 values of 0.40 to 0.73. Together experiment and simulation indicate that each glycosidic linkage becomes much more rigid as the oligosaccharide increases in length.","abstract_has_math":false,"creators":["Owens, Jane Michelle"],"institution":"University of Illinois at Urbana-Champaign","degree_name":"Ph.D.","degree_level":"Dissertation","degree_discipline":"Chemistry","degree_department":null,"school":null,"contributors":["Todd Martinez","Petillo, Peter A."],"advisors":[],"committee_chairs":[],"committee_members":[],"year":2015,"date_issued":"2015-09-25T22:13:18Z","date_published":"2015-09-25T22:13:18Z","updated_at":"2026-07-22T22:26:22Z","subjects":["Chemistry, Physical"],"languages":["eng"],"rights":[],"rights_urls":[],"identifier_entries":[{"key":"dc:identifier","label":"Identifier","values":["(MiAaPQ)AAI3160937"],"render_values":[{"text":"(MiAaPQ)AAI3160937","href":null,"code":true}]}]},"links":{"outbound_url":"http://hdl.handle.net/2142/84170","outbound_label":"Handle","outbound_source":"dc:identifier"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor","label":"Contributor","values":["Todd Martinez","Petillo, Peter A."]},{"key":"dc:creator","label":"Author","values":["Owens, Jane Michelle"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date","label":"Dc Date","values":["2015-09-25T22:13:18Z","10000-01-01","2004"]},{"key":"dc:type","label":"Dc Type","values":["text"]},{"key":"thesis:degree_discipline","label":"Discipline","values":["Chemistry"]},{"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/2142/84170","(MiAaPQ)AAI3160937"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description","label":"Description","values":["The solution dynamics of an anomerically pure series of cellulose oligomers have been studied by 13C NMR relaxation techniques and compared to molecular dynamics (MD) simulations. We found evidence of anisotropic motion across the series, with experimentally determined order parameters (S 2) ranging from 0.30 to 0.52 and computationally determined S 2 values of 0.40 to 0.73. Together experiment and simulation indicate that each glycosidic linkage becomes much more rigid as the oligosaccharide increases in length.","Made available in DSpace on 2015-09-25T22:13:18Z (GMT). No. of bitstreams: 2 license.txt: 4848 bytes, checksum: 96035ab3f5e1c23cc7138a224ce498bd (MD5) 3160937.pdf: 9046013 bytes, checksum: 703ee49a945ebeb3c48cfed65ab8aa05 (MD5) Previous issue date: 2004","Embargo set by: Seth Robbins for item 85451 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","176 p.","Thesis (Ph.D.)--University of Illinois at Urbana-Champaign, 2004."]},{"key":"dc:title","label":"Title","values":["Theoretical Studies of the Solvation, Dynamics, and Photochemistry of Ethylene, Retinal Protonated Schiff Base, Oligocellulose, and Gd(III) Clusters"]}]}],"canonical_facts":{"dc:contributor":["Todd Martinez","Petillo, Peter A."],"dc:creator":["Owens, Jane Michelle"],"dc:date":["2015-09-25T22:13:18Z","10000-01-01","2004"],"dc:description":["The solution dynamics of an anomerically pure series of cellulose oligomers have been studied by 13C NMR relaxation techniques and compared to molecular dynamics (MD) simulations. We found evidence of anisotropic motion across the series, with experimentally determined order parameters (S 2) ranging from 0.30 to 0.52 and computationally determined S 2 values of 0.40 to 0.73. Together experiment and simulation indicate that each glycosidic linkage becomes much more rigid as the oligosaccharide increases in length.","Made available in DSpace on 2015-09-25T22:13:18Z (GMT). No. of bitstreams: 2 license.txt: 4848 bytes, checksum: 96035ab3f5e1c23cc7138a224ce498bd (MD5) 3160937.pdf: 9046013 bytes, checksum: 703ee49a945ebeb3c48cfed65ab8aa05 (MD5) Previous issue date: 2004","Embargo set by: Seth Robbins for item 85451 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","176 p.","Thesis (Ph.D.)--University of Illinois at Urbana-Champaign, 2004."],"dc:identifier":["http://hdl.handle.net/2142/84170","(MiAaPQ)AAI3160937"],"dc:language":["eng"],"dc:subject":["Chemistry, Physical"],"dc:title":["Theoretical Studies of the Solvation, Dynamics, and Photochemistry of Ethylene, Retinal Protonated Schiff Base, Oligocellulose, and Gd(III) Clusters"],"dc:type":["text"],"thesis:degree_discipline":["Chemistry"],"thesis:degree_level":["Dissertation"],"thesis:degree_name":["Ph.D."],"thesis:institution_name":["University of Illinois at Urbana-Champaign"]},"updated_at":"2026-07-22T22:26:22Z"}