{"id":"https://openalex.org/W3000478294","doi":"https://doi.org/10.1515/cmb-2019-0007","title":"Thermal Response in Cellulose I\u03b2 Based on Molecular Dynamics","display_name":"Thermal Response in Cellulose I\u03b2 Based on Molecular Dynamics","publication_year":2019,"publication_date":"2019-01-01","ids":{"openalex":"https://openalex.org/W3000478294","doi":"https://doi.org/10.1515/cmb-2019-0007","mag":"3000478294"},"language":"en","primary_location":{"id":"doi:10.1515/cmb-2019-0007","doi":"https://doi.org/10.1515/cmb-2019-0007","is_oa":true,"landing_page_url":"https://doi.org/10.1515/cmb-2019-0007","pdf_url":"https://www.degruyter.com/downloadpdf/journals/cmb/7/1/article-p85.pdf","source":{"id":"https://openalex.org/S4210220302","display_name":"Computational and Mathematical Biophysics","issn_l":"2544-7297","issn":["2544-7297"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","norway-1","poland-20","russia-white-list-1"],"host_organization":"https://openalex.org/P4310313990","host_organization_name":"De Gruyter","host_organization_lineage":["https://openalex.org/P4310313990"],"host_organization_lineage_names":["De Gruyter"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computational and Mathematical Biophysics","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://www.degruyter.com/downloadpdf/journals/cmb/7/1/article-p85.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5044803137","display_name":"Xuewei Jiang","orcid":"https://orcid.org/0000-0002-2115-7571","observed_orcids":["https://orcid.org/0000-0002-2115-7571"]},"institutions":[{"id":"https://openalex.org/I4210119942","display_name":"Wuhan Textile University","ror":"https://ror.org/02jgsf398","country_code":"CN","type":"education","lineage":["https://openalex.org/I4210119942"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Xuewei Jiang","raw_affiliation_strings":["Wuhan Textile and Apparel Digital Engineering Technology Research Center , Wuhan Textile University , Wuhan 430073 , Hubei, China ; Hubei Key Laboratory of Biomass Fibers and Eco-dyeing & Finishing , Wuhan Textile University , Wuhan 430073 , China","Wuhan Textile and Apparel Digital Engineering Technology Research Center, Wuhan Textile University, Wuhan430073, Hubei, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Wuhan Textile and Apparel Digital Engineering Technology Research Center , Wuhan Textile University , Wuhan 430073 , Hubei, China ; Hubei Key Laboratory of Biomass Fibers and Eco-dyeing & Finishing , Wuhan Textile University , Wuhan 430073 , China","institution_ids":["https://openalex.org/I4210119942"]},{"raw_affiliation_string":"Wuhan Textile and Apparel Digital Engineering Technology Research Center, Wuhan Textile University, Wuhan430073, Hubei, China","institution_ids":["https://openalex.org/I4210119942"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101510834","display_name":"Yu Chen","orcid":"https://orcid.org/0000-0002-4799-4546","observed_orcids":["https://orcid.org/0000-0002-4799-4546"]},"institutions":[{"id":"https://openalex.org/I4210119942","display_name":"Wuhan Textile University","ror":"https://ror.org/02jgsf398","country_code":"CN","type":"education","lineage":["https://openalex.org/I4210119942"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yu Chen","raw_affiliation_strings":["Wuhan Textile and Apparel Digital Engineering Technology Research Center , Wuhan Textile University , Wuhan 430073 , Hubei, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Wuhan Textile and Apparel Digital Engineering Technology Research Center , Wuhan Textile University , Wuhan 430073 , Hubei, China","institution_ids":["https://openalex.org/I4210119942"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5043317595","display_name":"Yue Yuan","orcid":"https://orcid.org/0000-0003-2729-7580","observed_orcids":["https://orcid.org/0000-0003-2729-7580","https://orcid.org/0000-0002-7249-0411"]},"institutions":[{"id":"https://openalex.org/I137902535","display_name":"North Carolina State University","ror":"https://ror.org/04tj63d06","country_code":"US","type":"education","lineage":["https://openalex.org/I137902535"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Yue Yuan","raw_affiliation_strings":["Department of Textile Engineering, Chemistry and Science , North Carolina State University , USA 27067"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Textile Engineering, Chemistry and Science , North Carolina State University , USA 27067","institution_ids":["https://openalex.org/I137902535"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5091150117","display_name":"Lu Da Zheng","orcid":"https://orcid.org/0000-0003-4119-6196","observed_orcids":["https://orcid.org/0000-0003-4119-6196"]},"institutions":[{"id":"https://openalex.org/I4210119942","display_name":"Wuhan Textile University","ror":"https://ror.org/02jgsf398","country_code":"CN","type":"education","lineage":["https://openalex.org/I4210119942"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Lu Zheng","raw_affiliation_strings":["Wuhan Textile and Apparel Digital Engineering Technology Research Center , Wuhan Textile University , Wuhan 430073 , Hubei, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Wuhan Textile and Apparel Digital Engineering Technology Research Center , Wuhan Textile University , Wuhan 430073 , Hubei, China","institution_ids":["https://openalex.org/I4210119942"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5044803137"],"corresponding_institution_ids":["https://openalex.org/I4210119942"],"apc_list":{"value":750,"currency":"EUR","value_usd":848},"apc_paid":{"value":750,"currency":"EUR","value_usd":848},"fwci":0.1961,"has_fulltext":true,"cited_by_count":10,"citation_normalized_percentile":{"value":0.31059984,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":87,"max":97},"biblio":{"volume":"7","issue":"1","first_page":"85","last_page":"97"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10610","display_name":"Advanced Cellulose Research Studies","score":0.9804999828338623,"subfield":{"id":"https://openalex.org/subfields/2502","display_name":"Biomaterials"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10610","display_name":"Advanced Cellulose Research Studies","score":0.9804999828338623,"subfield":{"id":"https://openalex.org/subfields/2502","display_name":"Biomaterials"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10869","display_name":"Polysaccharides and Plant Cell Walls","score":0.01600000075995922,"subfield":{"id":"https://openalex.org/subfields/1110","display_name":"Plant Science"},"field":{"id":"https://openalex.org/fields/11","display_name":"Agricultural and Biological Sciences"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T12192","display_name":"Polysaccharides Composition and Applications","score":0.0006000000284984708,"subfield":{"id":"https://openalex.org/subfields/1106","display_name":"Food Science"},"field":{"id":"https://openalex.org/fields/11","display_name":"Agricultural and Biological Sciences"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/cellulose-ibeta","display_name":"cellulose I\u03b2","score":0.996999979019165},{"id":"https://openalex.org/keywords/thermal-response","display_name":"thermal response","score":0.7590000033378601},{"id":"https://openalex.org/keywords/hydrogen-bonding","display_name":"hydrogen bonding","score":0.6129999756813049}],"concepts":[{"id":"https://openalex.org/C2779251873","wikidata":"https://www.wikidata.org/wiki/Q80294","display_name":"Cellulose","level":2,"score":0.7586915493011475},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.7191745042800903},{"id":"https://openalex.org/C112887158","wikidata":"https://www.wikidata.org/wiki/Q169324","display_name":"Hydrogen bond","level":3,"score":0.7128109931945801},{"id":"https://openalex.org/C2780591741","wikidata":"https://www.wikidata.org/wiki/Q899405","display_name":"Hydroxymethyl","level":2,"score":0.666382908821106},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.559624969959259},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5555395483970642},{"id":"https://openalex.org/C2908647359","wikidata":"https://www.wikidata.org/wiki/Q2625603","display_name":"Population","level":2,"score":0.48297110199928284},{"id":"https://openalex.org/C204921945","wikidata":"https://www.wikidata.org/wiki/Q899689","display_name":"Side chain","level":3,"score":0.47717490792274475},{"id":"https://openalex.org/C199185054","wikidata":"https://www.wikidata.org/wiki/Q552299","display_name":"Chain (unit)","level":2,"score":0.45871856808662415},{"id":"https://openalex.org/C10803110","wikidata":"https://www.wikidata.org/wiki/Q1341441","display_name":"Force field (fiction)","level":2,"score":0.4550046920776367},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.3592120409011841},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.2982310354709625},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.26425081491470337},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.1089622974395752},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.09894341230392456},{"id":"https://openalex.org/C521977710","wikidata":"https://www.wikidata.org/wiki/Q81163","display_name":"Polymer","level":2,"score":0.07230302691459656},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0},{"id":"https://openalex.org/C149923435","wikidata":"https://www.wikidata.org/wiki/Q37732","display_name":"Demography","level":1,"score":0.0},{"id":"https://openalex.org/C144024400","wikidata":"https://www.wikidata.org/wiki/Q21201","display_name":"Sociology","level":0,"score":0.0},{"id":"https://openalex.org/C1276947","wikidata":"https://www.wikidata.org/wiki/Q333","display_name":"Astronomy","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1515/cmb-2019-0007","doi":"https://doi.org/10.1515/cmb-2019-0007","is_oa":true,"landing_page_url":"https://doi.org/10.1515/cmb-2019-0007","pdf_url":"https://www.degruyter.com/downloadpdf/journals/cmb/7/1/article-p85.pdf","source":{"id":"https://openalex.org/S4210220302","display_name":"Computational and Mathematical Biophysics","issn_l":"2544-7297","issn":["2544-7297"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","norway-1","poland-20","russia-white-list-1"],"host_organization":"https://openalex.org/P4310313990","host_organization_name":"De Gruyter","host_organization_lineage":["https://openalex.org/P4310313990"],"host_organization_lineage_names":["De Gruyter"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computational and Mathematical Biophysics","raw_type":"journal-article"},{"id":"pmh:oai:doaj.org/article:942d1456370344559c3525fa0f1a90ef","doi":null,"is_oa":true,"landing_page_url":"https://doaj.org/article/942d1456370344559c3525fa0f1a90ef","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Computational and Mathematical Biophysics, Vol 7, Iss 1, Pp 85-97 (2019)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.1515/cmb-2019-0007","doi":"https://doi.org/10.1515/cmb-2019-0007","is_oa":true,"landing_page_url":"https://doi.org/10.1515/cmb-2019-0007","pdf_url":"https://www.degruyter.com/downloadpdf/journals/cmb/7/1/article-p85.pdf","source":{"id":"https://openalex.org/S4210220302","display_name":"Computational and Mathematical Biophysics","issn_l":"2544-7297","issn":["2544-7297"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","norway-1","poland-20","russia-white-list-1"],"host_organization":"https://openalex.org/P4310313990","host_organization_name":"De Gruyter","host_organization_lineage":["https://openalex.org/P4310313990"],"host_organization_lineage_names":["De Gruyter"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computational and Mathematical Biophysics","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320321883","display_name":"Huazhong University of Science and Technology","ror":"https://ror.org/00p991c53"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W3000478294.pdf","grobid_xml":"https://content.openalex.org/works/W3000478294.grobid-xml"},"referenced_works_count":48,"referenced_works":["https://openalex.org/W344551303","https://openalex.org/W1569015250","https://openalex.org/W1964344296","https://openalex.org/W1971832030","https://openalex.org/W1976499671","https://openalex.org/W1977561071","https://openalex.org/W1978559881","https://openalex.org/W1982446437","https://openalex.org/W1986471706","https://openalex.org/W1993658085","https://openalex.org/W1996442036","https://openalex.org/W2000273127","https://openalex.org/W2008744920","https://openalex.org/W2011616484","https://openalex.org/W2021124764","https://openalex.org/W2033057757","https://openalex.org/W2035266068","https://openalex.org/W2037496652","https://openalex.org/W2040378517","https://openalex.org/W2041272064","https://openalex.org/W2043235908","https://openalex.org/W2046681254","https://openalex.org/W2046695543","https://openalex.org/W2050444624","https://openalex.org/W2051754330","https://openalex.org/W2070334820","https://openalex.org/W2070515921","https://openalex.org/W2071281986","https://openalex.org/W2071342832","https://openalex.org/W2074099991","https://openalex.org/W2077591905","https://openalex.org/W2079234899","https://openalex.org/W2084653887","https://openalex.org/W2087579391","https://openalex.org/W2090612561","https://openalex.org/W2098943363","https://openalex.org/W2103945336","https://openalex.org/W2111140875","https://openalex.org/W2112992564","https://openalex.org/W2116076986","https://openalex.org/W2165861896","https://openalex.org/W2169514751","https://openalex.org/W2233836642","https://openalex.org/W2326110901","https://openalex.org/W2727282166","https://openalex.org/W2806972109","https://openalex.org/W2900860205","https://openalex.org/W4206872134"],"related_works":["https://openalex.org/W2071342832","https://openalex.org/W2041272064","https://openalex.org/W4225939347","https://openalex.org/W2053520153","https://openalex.org/W1969883749","https://openalex.org/W2045225490","https://openalex.org/W51717569","https://openalex.org/W2077068462","https://openalex.org/W2044601679","https://openalex.org/W2006215793"],"abstract_inverted_index":{"Abstract":[0],"The":[1,20,167],"structural":[2,31,169],"details":[3],"of":[4,45,72,112,136,153,186],"cellulose":[5,46,187],"I":[6],"\u03b2":[7],"were":[8,23,68,84,117,156],"discussed":[9],"according":[10],"to":[11,79,93,128],"molecular":[12],"dynamics":[13],"simulations":[14],"with":[15,26],"the":[16,50,56,65,87,98,106,129,134,165,172,183],"GLYCAM-06":[17],"force":[18],"field.":[19],"simulation":[21],"outcomes":[22],"in":[24,139,143,164,189],"agreement":[25],"previous":[27],"experimental":[28],"data,":[29],"including":[30],"parameters":[32],"and":[33,58,70,119,161,178],"hydrogen":[34,154],"bond":[35],"pattern":[36],"at":[37,49,109,146,158],"298":[38,91],"K.":[39,95],"We":[40],"found":[41,69],"a":[42],"new":[43],"conformation":[44,100,145],"I\u03b2":[47,188],"existed":[48],"intermediate":[51,132,160],"temperature":[52,88,111],"that":[53,75,142],"is":[54,101],"between":[55],"low":[57],"high":[59,110,147,162],"temperatures.":[60],"Partial":[61],"chain":[62],"rotations":[63],"along":[64],"backbone":[66],"direction":[67],"conformations":[71],"hydroxymethyl":[73,137],"groups":[74,138],"alternated":[76],"from":[77,90,123],"tg":[78],"either":[80],"gt":[81,140],"or":[82],"gg":[83,99,144],"observed":[85],"when":[86],"increased":[89],"K":[92,177],"400":[94],"In":[96,126,149],"addition,":[97,150],"preferred":[102],"than":[103],"gt.":[104],"For":[105],"structure":[107],"adopted":[108],"500":[113],"K,":[114,180],"major":[115],"chains":[116,121],"twisted":[118],"two":[120],"detached":[122],"each":[124],"plain.":[125],"contrast":[127],"observation":[130],"under":[131],"temperature,":[133],"population":[135],"exceeded":[141],"temperature.":[148],"three":[151],"patterns":[152],"bonding":[155],"identified":[157],"low,":[159],"temperatures":[163,185],"simulations.":[166],"provided":[168],"information":[170],"indicated":[171],"transitions":[173],"occurred":[174],"around":[175],"350":[176],"450":[179],"considered":[181],"as":[182],"transitional":[184],"this":[190],"work.":[191]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":3},{"year":2024,"cited_by_count":2},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":1}],"updated_date":"2026-10-16T09:59:22.235173","created_date":"2020-01-23T00:00:00"}
