{"id":"https://openalex.org/W2016508518","doi":"https://doi.org/10.1016/j.jasms.2009.04.012","title":"Fragmentation mechanisms of oxidized peptides elucidated by SID, RRKM modeling, and molecular dynamics","display_name":"Fragmentation mechanisms of oxidized peptides elucidated by SID, RRKM modeling, and molecular dynamics","publication_year":2009,"publication_date":"2009-05-05","ids":{"openalex":"https://openalex.org/W2016508518","doi":"https://doi.org/10.1016/j.jasms.2009.04.012","mag":"2016508518","pmid":"https://pubmed.ncbi.nlm.nih.gov/19560936"},"language":"en","primary_location":{"id":"doi:10.1016/j.jasms.2009.04.012","doi":"https://doi.org/10.1016/j.jasms.2009.04.012","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.jasms.2009.04.012","pdf_url":null,"source":{"id":"https://openalex.org/S60743949","display_name":"Journal of the American Society for Mass Spectrometry","issn_l":"1044-0305","issn":["1044-0305","1879-1123"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-a","doyens","jufo-1","ki-jl-1","medline","norway-1","poland-70","russia-white-list-1"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of the American Society for Mass Spectrometry","raw_type":"journal-article"},"volume":null,"type":"article","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/A5059275651","display_name":"Jeffrey M. Spraggins","orcid":"https://orcid.org/0000-0001-9198-5498","observed_orcids":["https://orcid.org/0000-0001-9198-5498"]},"institutions":[{"id":"https://openalex.org/I86501945","display_name":"University of Delaware","ror":"https://ror.org/01sbq1a82","country_code":"US","type":"education","lineage":["https://openalex.org/I86501945"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Jeffrey M. Spraggins","raw_affiliation_strings":["Department of Chemistry and Biochemistry, University of Delaware, Newark, Delaware, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry and Biochemistry, University of Delaware, Newark, Delaware, USA","institution_ids":["https://openalex.org/I86501945"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5028618484","display_name":"Julie A. Lloyd","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I86501945","display_name":"University of Delaware","ror":"https://ror.org/01sbq1a82","country_code":"US","type":"education","lineage":["https://openalex.org/I86501945"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Julie A. Lloyd","raw_affiliation_strings":["Department of Chemistry and Biochemistry, University of Delaware, Newark, Delaware, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry and Biochemistry, University of Delaware, Newark, Delaware, USA","institution_ids":["https://openalex.org/I86501945"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5011162365","display_name":"Murray V. Johnston","orcid":"https://orcid.org/0000-0001-9529-8660","observed_orcids":["https://orcid.org/0000-0001-9529-8660"]},"institutions":[{"id":"https://openalex.org/I86501945","display_name":"University of Delaware","ror":"https://ror.org/01sbq1a82","country_code":"US","type":"education","lineage":["https://openalex.org/I86501945"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Murray V. Johnston","raw_affiliation_strings":["Department of Chemistry and Biochemistry, University of Delaware, Newark, Delaware, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry and Biochemistry, University of Delaware, Newark, Delaware, USA","institution_ids":["https://openalex.org/I86501945"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5067234032","display_name":"Julia Laskin","orcid":"https://orcid.org/0000-0002-4533-9644","observed_orcids":["https://orcid.org/0000-0002-4533-9644"]},"institutions":[{"id":"https://openalex.org/I142606810","display_name":"Pacific Northwest National Laboratory","ror":"https://ror.org/05h992307","country_code":"US","type":"facility","lineage":["https://openalex.org/I1325736334","https://openalex.org/I1330989302","https://openalex.org/I142606810","https://openalex.org/I39565521"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Julia Laskin","raw_affiliation_strings":["Pacific Northwest National Laboratory, Richland, Washington, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Pacific Northwest National Laboratory, Richland, Washington, USA","institution_ids":["https://openalex.org/I142606810"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5113847261","display_name":"Douglas P. Ridge","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I86501945","display_name":"University of Delaware","ror":"https://ror.org/01sbq1a82","country_code":"US","type":"education","lineage":["https://openalex.org/I86501945"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Douglas P. Ridge","raw_affiliation_strings":["Department of Chemistry and Biochemistry, University of Delaware, Newark, Delaware, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry and Biochemistry, University of Delaware, Newark, Delaware, USA","institution_ids":["https://openalex.org/I86501945"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":4500,"currency":"USD","value_usd":4500},"apc_paid":null,"fwci":0.8129,"has_fulltext":false,"cited_by_count":12,"citation_normalized_percentile":{"value":0.65172144,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":97},"biblio":{"volume":"20","issue":"9","first_page":"1579","last_page":"1592"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10683","display_name":"Mass Spectrometry Techniques and Applications","score":0.9994999766349792,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10683","display_name":"Mass Spectrometry Techniques and Applications","score":0.9994999766349792,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10519","display_name":"Advanced Proteomics Techniques and Applications","score":0.0,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12191","display_name":"Chemical Reaction Mechanisms","score":0.0,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/angiotensin-ii","display_name":"angiotensin II","score":0.9599999785423279},{"id":"https://openalex.org/keywords/oxidized-peptides","display_name":"oxidized peptides","score":0.8240000009536743},{"id":"https://openalex.org/keywords/ozonolysis","display_name":"ozonolysis","score":0.8669999837875366},{"id":"https://openalex.org/keywords/gas-phase-fragmentation","display_name":"gas-phase fragmentation","score":0.7409999966621399},{"id":"https://openalex.org/keywords/charge-remote-fragmentation","display_name":"charge-remote fragmentation","score":0.8379999995231628},{"id":"https://openalex.org/keywords/activation-energy","display_name":"activation energy","score":0.5370000004768372},{"id":"https://openalex.org/keywords/entropy-of-activation","display_name":"activation entropy","score":0.9599999785423279},{"id":"https://openalex.org/keywords/peptide-conformation","display_name":"peptide conformation","score":0.5580000281333923}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.9485868811607361},{"id":"https://openalex.org/C191015642","wikidata":"https://www.wikidata.org/wiki/Q1132459","display_name":"Fragmentation (computing)","level":2,"score":0.8404937386512756},{"id":"https://openalex.org/C2779173278","wikidata":"https://www.wikidata.org/wiki/Q898508","display_name":"Ozonolysis","level":2,"score":0.8292262554168701},{"id":"https://openalex.org/C102931765","wikidata":"https://www.wikidata.org/wiki/Q189673","display_name":"Dissociation (chemistry)","level":2,"score":0.7775142192840576},{"id":"https://openalex.org/C145148216","wikidata":"https://www.wikidata.org/wiki/Q36496","display_name":"Ion","level":2,"score":0.5523616671562195},{"id":"https://openalex.org/C2908929049","wikidata":"https://www.wikidata.org/wiki/Q65963433","display_name":"Angiotensin II","level":3,"score":0.511438250541687},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.4701150953769684},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.40517935156822205},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.22376975417137146},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.10512050986289978},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.07002070546150208},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.0},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.0}],"mesh":[{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D010084","descriptor_name":"Oxidation-Reduction","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010100","descriptor_name":"Oxygen","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D010126","descriptor_name":"Ozone","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D017550","descriptor_name":"Spectroscopy, Fourier Transform Infrared","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true},{"descriptor_ui":"D021241","descriptor_name":"Spectrometry, Mass, Electrospray Ionization","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1016/j.jasms.2009.04.012","doi":"https://doi.org/10.1016/j.jasms.2009.04.012","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.jasms.2009.04.012","pdf_url":null,"source":{"id":"https://openalex.org/S60743949","display_name":"Journal of the American Society for Mass Spectrometry","issn_l":"1044-0305","issn":["1044-0305","1879-1123"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-a","doyens","jufo-1","ki-jl-1","medline","norway-1","poland-70","russia-white-list-1"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of the American Society for Mass Spectrometry","raw_type":"journal-article"},{"id":"pmid:19560936","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/19560936","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":"Journal of the American Society for Mass Spectrometry","raw_type":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320338354","display_name":"Pacific Northwest National Laboratory","ror":"https://ror.org/05h992307"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":71,"referenced_works":["https://openalex.org/W129207291","https://openalex.org/W1536434937","https://openalex.org/W1541134463","https://openalex.org/W1616654149","https://openalex.org/W1890414417","https://openalex.org/W1964752270","https://openalex.org/W1965364502","https://openalex.org/W1967710648","https://openalex.org/W1968255611","https://openalex.org/W1968815105","https://openalex.org/W1970563173","https://openalex.org/W1974697615","https://openalex.org/W1975178001","https://openalex.org/W1979224482","https://openalex.org/W1979251885","https://openalex.org/W1981094687","https://openalex.org/W1981627301","https://openalex.org/W1986025934","https://openalex.org/W1986085342","https://openalex.org/W1986412727","https://openalex.org/W1995316330","https://openalex.org/W1997551451","https://openalex.org/W2001655031","https://openalex.org/W2002265867","https://openalex.org/W2002693999","https://openalex.org/W2005017750","https://openalex.org/W2006468570","https://openalex.org/W2011549607","https://openalex.org/W2015980607","https://openalex.org/W2016669985","https://openalex.org/W2017573968","https://openalex.org/W2018408953","https://openalex.org/W2021202966","https://openalex.org/W2022307489","https://openalex.org/W2033893465","https://openalex.org/W2038367741","https://openalex.org/W2039293436","https://openalex.org/W2040448830","https://openalex.org/W2040545271","https://openalex.org/W2060833077","https://openalex.org/W2064329980","https://openalex.org/W2069971908","https://openalex.org/W2073530208","https://openalex.org/W2073932244","https://openalex.org/W2074717965","https://openalex.org/W2075388593","https://openalex.org/W2081295631","https://openalex.org/W2082981479","https://openalex.org/W2089169046","https://openalex.org/W2090564897","https://openalex.org/W2094190171","https://openalex.org/W2094800073","https://openalex.org/W2095791446","https://openalex.org/W2103452894","https://openalex.org/W2111795094","https://openalex.org/W2115482620","https://openalex.org/W2127143218","https://openalex.org/W2129538438","https://openalex.org/W2131194031","https://openalex.org/W2133403539","https://openalex.org/W2138905161","https://openalex.org/W2145643104","https://openalex.org/W2146686514","https://openalex.org/W2148432391","https://openalex.org/W2159066173","https://openalex.org/W2159329085","https://openalex.org/W2163913710","https://openalex.org/W2164947210","https://openalex.org/W2335117233","https://openalex.org/W2369720458","https://openalex.org/W3004920090"],"related_works":["https://openalex.org/W2040545271","https://openalex.org/W2159066173","https://openalex.org/W1995316330","https://openalex.org/W1986412727","https://openalex.org/W1973615892","https://openalex.org/W2017573968","https://openalex.org/W1017331159","https://openalex.org/W2084206402","https://openalex.org/W2011270173","https://openalex.org/W2073011565"],"abstract_inverted_index":{"The":[0],"gas-phase":[1],"fragmentation":[2,44,113],"reactions":[3],"of":[4,35,53,62,73,94,117,122,139,150],"singly":[5],"charged":[6],"angiotensin":[7],"II":[8],"(AngII,":[9],"DR(+)VYIHPF)":[10],"and":[11,19,31,56,69,75,88,100,106,148,152],"the":[12,48,71,110,118,123,140,146],"ozonolysis":[13,124],"products":[14,125],"AngII+O":[15],"(DR(+)VY*IHPF),":[16],"AngII+3O":[17,68],"(DR(+)VYIH*PF),":[18],"AngII+4O":[20],"(DR(+)VY*IH*PF)":[21],"were":[22],"studied":[23],"using":[24,157],"SID":[25,98],"FT-ICR":[26],"mass":[27],"spectrometry,":[28],"RRKM":[29,101],"modeling,":[30],"molecular":[32,158],"dynamics.":[33,159],"Oxidation":[34],"Tyr":[36],"(AngII+O)":[37],"leads":[38,58],"to":[39,59,128],"a":[40,60,92],"low-energy":[41],"charge-remote":[42,80],"selective":[43,64],"channel":[45,114],"resulting":[46],"in":[47],"b(4)+O":[49],"fragment":[50],"ion.":[51],"Modification":[52],"His":[54],"(AngII+3O":[55],"AngII+4O)":[57],"series":[61],"new":[63,141],"dissociation":[65,142],"channels.":[66],"For":[67],"AngII+4O,":[70],"formation":[72],"[MH+3O](+)-45":[74],"[MH+3O](+)-71":[76],"are":[77,91,135],"driven":[78],"by":[79,131],"processes":[81],"while":[82],"it":[83],"is":[84],"suggested":[85],"that":[86],"b(5)":[87],"[MH+3O](+)-88":[89],"fragments":[90],"result":[93],"charge-directed":[95],"reactions.":[96],"Energy-resolved":[97],"experiments":[99],"modeling":[102],"provide":[103],"threshold":[104],"energies":[105,147],"activation":[107,151],"entropies":[108,149],"for":[109,115,137],"lowest":[111],"energy":[112],"each":[116,138],"parent":[119,153],"ions.":[120],"Fragmentation":[121],"was":[126],"found":[127],"be":[129],"controlled":[130],"entropic":[132],"effects.":[133],"Mechanisms":[134],"proposed":[136],"pathways":[143],"based":[144],"on":[145],"ion":[154],"conformations":[155],"sampled":[156]},"counts_by_year":[{"year":2017,"cited_by_count":1},{"year":2015,"cited_by_count":3},{"year":2014,"cited_by_count":2},{"year":2012,"cited_by_count":1}],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2016-06-24T00:00:00"}
