{"id":"https://openalex.org/W3210779342","doi":"https://doi.org/10.1039/d1nr05267e","title":"Potential interference of graphene nanosheets in immune response via disrupting the recognition of HLA-presented KK10 by TCR: a molecular dynamics simulation study","display_name":"Potential interference of graphene nanosheets in immune response via disrupting the recognition of HLA-presented KK10 by TCR: a molecular dynamics simulation study","publication_year":2021,"publication_date":"2021-01-01","ids":{"openalex":"https://openalex.org/W3210779342","doi":"https://doi.org/10.1039/d1nr05267e","mag":"3210779342","pmid":"https://pubmed.ncbi.nlm.nih.gov/34787621"},"language":"en","primary_location":{"id":"doi:10.1039/d1nr05267e","doi":"https://doi.org/10.1039/d1nr05267e","is_oa":false,"landing_page_url":"https://doi.org/10.1039/d1nr05267e","pdf_url":null,"source":{"id":"https://openalex.org/S23181512","display_name":"Nanoscale","issn_l":"2040-3364","issn":["2040-3364","2040-3372"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-3","ki-jl-2","medline","norway-2","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320556","host_organization_name":"Royal Society of Chemistry","host_organization_lineage":["https://openalex.org/P4310320556"],"host_organization_lineage_names":["Royal Society of Chemistry"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nanoscale","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5025398066","display_name":"Rui Ye","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Rui Ye","raw_affiliation_strings":["Institute of Quantitative Biology, Department of Physics, and College of Life Sciences, Zhejiang University, Hangzhou 310027, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Quantitative Biology, Department of Physics, and College of Life Sciences, Zhejiang University, Hangzhou 310027, China","institution_ids":["https://openalex.org/I76130692"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5051969033","display_name":"Wei Song","orcid":"https://orcid.org/0000-0002-2278-2205","observed_orcids":["https://orcid.org/0000-0002-2278-2205"]},"institutions":[{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Wei Song","raw_affiliation_strings":["Institute of Quantitative Biology, Department of Physics, and College of Life Sciences, Zhejiang University, Hangzhou 310027, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Quantitative Biology, Department of Physics, and College of Life Sciences, Zhejiang University, Hangzhou 310027, China","institution_ids":["https://openalex.org/I76130692"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5054414494","display_name":"Mei Feng","orcid":"https://orcid.org/0000-0002-4896-8008","observed_orcids":["https://orcid.org/0000-0002-4896-8008"]},"institutions":[{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]},{"id":"https://openalex.org/I76214153","display_name":"Lanzhou University","ror":"https://ror.org/01mkqqe32","country_code":"CN","type":"education","lineage":["https://openalex.org/I76214153"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Mei Feng","raw_affiliation_strings":["Institute of Quantitative Biology, Department of Physics, and College of Life Sciences, Zhejiang University, Hangzhou 310027, China","Lanzhou Center for Theoretical Physics, Key Laboratory of Theoretical Physics of Gansu Province, Lanzhou University, Lanzhou, Gansu 730000, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Quantitative Biology, Department of Physics, and College of Life Sciences, Zhejiang University, Hangzhou 310027, China","institution_ids":["https://openalex.org/I76130692"]},{"raw_affiliation_string":"Lanzhou Center for Theoretical Physics, Key Laboratory of Theoretical Physics of Gansu Province, Lanzhou University, Lanzhou, Gansu 730000, China","institution_ids":["https://openalex.org/I76214153"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5078014032","display_name":"Ruhong Zhou","orcid":"https://orcid.org/0000-0001-8624-5591","observed_orcids":["https://orcid.org/0000-0001-8624-5591"]},"institutions":[{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]},{"id":"https://openalex.org/I78577930","display_name":"Columbia University","ror":"https://ror.org/00hj8s172","country_code":"US","type":"education","lineage":["https://openalex.org/I78577930"]}],"countries":["CN","US"],"is_corresponding":true,"raw_author_name":"Ruhong Zhou","raw_affiliation_strings":["Department of Chemistry, Columbia University, New York, 10027, USA","Institute of Quantitative Biology, Department of Physics, and College of Life Sciences, Zhejiang University, Hangzhou 310027, China"],"raw_orcid":"https://orcid.org/0000-0001-8624-5591","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Columbia University, New York, 10027, USA","institution_ids":["https://openalex.org/I78577930"]},{"raw_affiliation_string":"Institute of Quantitative Biology, Department of Physics, and College of Life Sciences, Zhejiang University, Hangzhou 310027, China","institution_ids":["https://openalex.org/I76130692"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5078014032"],"corresponding_institution_ids":["https://openalex.org/I76130692","https://openalex.org/I78577930"],"apc_list":null,"apc_paid":null,"fwci":0.4776,"has_fulltext":false,"cited_by_count":8,"citation_normalized_percentile":{"value":0.5356122,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":97},"biblio":{"volume":"13","issue":"45","first_page":"19255","last_page":"19263"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12627","display_name":"Graphene and Nanomaterials Applications","score":0.9911999702453613,"subfield":{"id":"https://openalex.org/subfields/2204","display_name":"Biomedical Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T12627","display_name":"Graphene and Nanomaterials Applications","score":0.9911999702453613,"subfield":{"id":"https://openalex.org/subfields/2204","display_name":"Biomedical Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12576","display_name":"vaccines and immunoinformatics approaches","score":0.0032999999821186066,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10083","display_name":"Graphene research and applications","score":0.0015999999595806003,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/graphene-nanosheets","display_name":"graphene nanosheets","score":1.0},{"id":"https://openalex.org/keywords/t-cell-receptor","display_name":"T cell receptor","score":0.8080000281333923},{"id":"https://openalex.org/keywords/hla-peptide-complexes","display_name":"HLA-peptide complexes","score":0.6669999957084656},{"id":"https://openalex.org/keywords/antigen-presentation","display_name":"antigen presentation","score":0.7570000290870667},{"id":"https://openalex.org/keywords/protein-protein-interaction","display_name":"protein-protein interaction","score":0.8529999852180481},{"id":"https://openalex.org/keywords/nanomaterial-safety","display_name":"nanomaterial safety","score":0.8209999799728394},{"id":"https://openalex.org/keywords/hydrophobic-interactions","display_name":"hydrophobic interactions","score":0.6610000133514404},{"id":"https://openalex.org/keywords/van-der-waals-energy","display_name":"van der Waals energy","score":0.7770000100135803}],"concepts":[{"id":"https://openalex.org/C30080830","wikidata":"https://www.wikidata.org/wiki/Q169917","display_name":"Graphene","level":2,"score":0.8076622486114502},{"id":"https://openalex.org/C19317047","wikidata":"https://www.wikidata.org/wiki/Q412037","display_name":"T-cell receptor","level":4,"score":0.7840396165847778},{"id":"https://openalex.org/C8891405","wikidata":"https://www.wikidata.org/wiki/Q1059","display_name":"Immune system","level":2,"score":0.6158714890480042},{"id":"https://openalex.org/C51967427","wikidata":"https://www.wikidata.org/wiki/Q17148232","display_name":"Nanosheet","level":2,"score":0.6116338968276978},{"id":"https://openalex.org/C9756297","wikidata":"https://www.wikidata.org/wiki/Q126223","display_name":"Immunological synapse","level":5,"score":0.577138364315033},{"id":"https://openalex.org/C188280979","wikidata":"https://www.wikidata.org/wiki/Q911125","display_name":"Human leukocyte antigen","level":3,"score":0.5062264800071716},{"id":"https://openalex.org/C147483822","wikidata":"https://www.wikidata.org/wiki/Q103537","display_name":"Antigen","level":2,"score":0.5060953497886658},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.4951993525028229},{"id":"https://openalex.org/C179464577","wikidata":"https://www.wikidata.org/wiki/Q1632589","display_name":"Jurkat cells","level":4,"score":0.4238736927509308},{"id":"https://openalex.org/C138631740","wikidata":"https://www.wikidata.org/wiki/Q967847","display_name":"Nanomaterials","level":2,"score":0.42172950506210327},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.42054638266563416},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.41191715002059937},{"id":"https://openalex.org/C2776090121","wikidata":"https://www.wikidata.org/wiki/Q193529","display_name":"T cell","level":3,"score":0.39120399951934814},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.35916221141815186},{"id":"https://openalex.org/C95444343","wikidata":"https://www.wikidata.org/wiki/Q7141","display_name":"Cell biology","level":1,"score":0.35254108905792236},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.27614253759384155},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.27174267172813416},{"id":"https://openalex.org/C203014093","wikidata":"https://www.wikidata.org/wiki/Q101929","display_name":"Immunology","level":1,"score":0.25274014472961426},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D006108","descriptor_name":"Graphite","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D006680","descriptor_name":"HLA Antigens","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011948","descriptor_name":"Receptors, Antigen, T-Cell","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015395","descriptor_name":"Histocompatibility Antigens Class I","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017951","descriptor_name":"Antigen Presentation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":3,"locations":[{"id":"doi:10.1039/d1nr05267e","doi":"https://doi.org/10.1039/d1nr05267e","is_oa":false,"landing_page_url":"https://doi.org/10.1039/d1nr05267e","pdf_url":null,"source":{"id":"https://openalex.org/S23181512","display_name":"Nanoscale","issn_l":"2040-3364","issn":["2040-3364","2040-3372"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-3","ki-jl-2","medline","norway-2","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320556","host_organization_name":"Royal Society of Chemistry","host_organization_lineage":["https://openalex.org/P4310320556"],"host_organization_lineage_names":["Royal Society of Chemistry"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nanoscale","raw_type":"journal-article"},{"id":"pmid:34787621","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/34787621","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nanoscale","raw_type":"Journal Article"},{"id":"pmh:oai:ir.lzu.edu.cn/:262010/472709","doi":null,"is_oa":false,"landing_page_url":"http://ir.lzu.edu.cn/handle/262010/470846","pdf_url":null,"source":{"id":"https://openalex.org/S4406923049","display_name":"Lanzhou University Institutional Repository","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":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"\u671f\u520a\u8bba\u6587"}],"best_oa_location":null,"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being","score":0.766700029373169}],"study_designs":[],"awards":[{"id":"https://openalex.org/G1711149129","display_name":null,"funder_award_id":"Grants U1967217, 11574224","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G3162117505","display_name":null,"funder_award_id":"SN-ZJU-SIAS-003","funder_id":"https://openalex.org/F4320322927","funder_display_name":"Zhejiang University"},{"id":"https://openalex.org/G5386954288","display_name":null,"funder_award_id":"Grant award 2019-2022","funder_id":"https://openalex.org/F4320306159","funder_display_name":"W. M. Keck Foundation"},{"id":"https://openalex.org/G5704124529","display_name":null,"funder_award_id":"ZJZX2020014","funder_id":"https://openalex.org/F4320331092","funder_display_name":"Major Projects of Special Development Funds in Zhangjiang National Independent Innovation Demonstration Zone, Shanghai"},{"id":"https://openalex.org/G8152757817","display_name":"\u78b3\u7eb3\u7c73\u6750\u6599\u4e0e\u86cb\u767d\u8d28\u6784\u8c61\u75be\u75c5\u4e2d\u5173\u952e\u86cb\u767d\u7684\u76f8\u4e92\u4f5c\u7528\u53ca\u5206\u5b50\u673a\u7406\u7814\u7a76","funder_award_id":"11574224","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G8717041692","display_name":null,"funder_award_id":"Grants U1967217","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"}],"funders":[{"id":"https://openalex.org/F4320306159","display_name":"W. M. Keck Foundation","ror":"https://ror.org/000dswa46"},{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320322927","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884"},{"id":"https://openalex.org/F4320331092","display_name":"Major Projects of Special Development Funds in Zhangjiang National Independent Innovation Demonstration Zone, Shanghai","ror":null}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":55,"referenced_works":["https://openalex.org/W1948699949","https://openalex.org/W1964000982","https://openalex.org/W1965200769","https://openalex.org/W1966078827","https://openalex.org/W1976499671","https://openalex.org/W1977791081","https://openalex.org/W1982345975","https://openalex.org/W1984282571","https://openalex.org/W1989037178","https://openalex.org/W1997953584","https://openalex.org/W2002062311","https://openalex.org/W2017581710","https://openalex.org/W2024389605","https://openalex.org/W2026972453","https://openalex.org/W2029501967","https://openalex.org/W2029667189","https://openalex.org/W2030641724","https://openalex.org/W2050333027","https://openalex.org/W2057477511","https://openalex.org/W2063396456","https://openalex.org/W2063588202","https://openalex.org/W2066414494","https://openalex.org/W2067174909","https://openalex.org/W2072162021","https://openalex.org/W2072176078","https://openalex.org/W2075890776","https://openalex.org/W2081693079","https://openalex.org/W2081813848","https://openalex.org/W2094971181","https://openalex.org/W2110835769","https://openalex.org/W2112562522","https://openalex.org/W2117697315","https://openalex.org/W2121098529","https://openalex.org/W2124057946","https://openalex.org/W2127745456","https://openalex.org/W2128572087","https://openalex.org/W2133673913","https://openalex.org/W2135479172","https://openalex.org/W2145391404","https://openalex.org/W2148323928","https://openalex.org/W2155721915","https://openalex.org/W2156146726","https://openalex.org/W2162166182","https://openalex.org/W2273675502","https://openalex.org/W2313872276","https://openalex.org/W2326443463","https://openalex.org/W2328970129","https://openalex.org/W2407562350","https://openalex.org/W2412951349","https://openalex.org/W2756043856","https://openalex.org/W2941664288","https://openalex.org/W2978330869","https://openalex.org/W3000616670","https://openalex.org/W3049220110","https://openalex.org/W3080387617"],"related_works":["https://openalex.org/W2592635041","https://openalex.org/W2582737572","https://openalex.org/W2328970129","https://openalex.org/W3024114689","https://openalex.org/W1819994755","https://openalex.org/W2766365110","https://openalex.org/W2036070208","https://openalex.org/W2067846797","https://openalex.org/W2407562350","https://openalex.org/W4289201197"],"abstract_inverted_index":{"Graphene":[0],"and":[1,54,73,94,96,112,146],"its":[2],"derivatives":[3],"have":[4],"emerged":[5],"as":[6],"a":[7,21],"promising":[8],"nanomaterial":[9],"in":[10,23,51,56,157],"biomedical":[11,158],"applications.":[12,159],"However,":[13],"their":[14,27],"impact":[15],"on":[16],"biosafety":[17],"continues":[18],"to":[19,30,43],"be":[20],"concern":[22],"the":[24,45,60,83,88,98,104,109,120,126,137,143,152],"field,":[25],"particularly,":[26],"potential":[28,46,116],"cytotoxicity":[29],"our":[31],"immune":[32,57,144],"system.":[33],"In":[34],"this":[35],"study,":[36],"we":[37,80],"used":[38],"all-atom":[39],"molecular":[40],"dynamics":[41],"simulations":[42],"investigate":[44],"interference":[47],"of":[48,123,154],"graphene":[49,84,130,138],"nanosheets":[50],"antigen":[52,66,71,99,105],"presentation":[53,106],"recognition":[55,100],"response.":[58],"For":[59],"illustrated":[61],"human":[62,69],"immunodeficiency":[63],"virus":[64],"(HIV)":[65],"peptide":[67],"KK10,":[68],"leukocyte":[70],"(HLA),":[72],"T":[74],"cell":[75],"receptor":[76],"(TCR)":[77],"ternary":[78],"complex,":[79],"found":[81],"that":[82],"nanosheet":[85,139],"could":[86,140],"disrupt":[87],"critical":[89],"protein-protein":[90],"interactions":[91],"between":[92],"TCR":[93,124],"peptide-HLA":[95,127],"impair":[97],"by":[101,129],"TCR,":[102],"leaving":[103],"unaffected.":[107],"Moreover,":[108],"hydrophobic":[110],"interaction":[111],"van":[113],"der":[114],"Waals":[115],"energy":[117],"collectively":[118],"drive":[119],"spontaneous":[121],"separation":[122],"from":[125],"complex":[128],"nanosheets.":[131],"Our":[132],"findings":[133],"demonstrated":[134],"theoretically":[135],"how":[136],"interfere":[141],"with":[142],"response":[145],"provided":[147],"useful":[148],"insights":[149],"for":[150],"reducing":[151],"risk":[153],"graphene-based":[155],"nanomaterials":[156]},"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":4},{"year":2023,"cited_by_count":2},{"year":2022,"cited_by_count":1}],"updated_date":"2026-10-31T12:09:11.096373","created_date":"2021-11-08T00:00:00"}