{"id":"https://openalex.org/W2051892440","doi":"https://doi.org/10.1016/s1044-0305(99)00054-9","title":"Poly (ethylene terephthalate) oligomers cationized by alkali ions: Structures, energetics, and their effect on mass spectra and the matrix-assisted laser desorption/ionization process","display_name":"Poly (ethylene terephthalate) oligomers cationized by alkali ions: Structures, energetics, and their effect on mass spectra and the matrix-assisted laser desorption/ionization process","publication_year":1999,"publication_date":"1999-09-01","ids":{"openalex":"https://openalex.org/W2051892440","doi":"https://doi.org/10.1016/s1044-0305(99)00054-9","mag":"2051892440"},"language":"en","primary_location":{"id":"doi:10.1016/s1044-0305(99)00054-9","doi":"https://doi.org/10.1016/s1044-0305(99)00054-9","is_oa":false,"landing_page_url":"https://doi.org/10.1016/s1044-0305(99)00054-9","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"},"parent_works":[],"lineage":["https://openalex.org/W2051892440"],"child_works_count":0,"type":"article","is_traditional":true,"indexed_in":["crossref"],"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/A5043213253","display_name":"Jennifer A. Gidden","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I154570441","display_name":"University of California, Santa Barbara","ror":"https://ror.org/02t274463","country_code":"US","type":"education","lineage":["https://openalex.org/I154570441"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Jennifer Gidden","raw_affiliation_strings":["Department of Chemistry, University of California, Santa Barbara, California, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of California, Santa Barbara, California, USA","institution_ids":["https://openalex.org/I154570441"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5008184092","display_name":"Thomas Wyttenbach","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I154570441","display_name":"University of California, Santa Barbara","ror":"https://ror.org/02t274463","country_code":"US","type":"education","lineage":["https://openalex.org/I154570441"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Thomas Wyttenbach","raw_affiliation_strings":["Department of Chemistry, University of California, Santa Barbara, California, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of California, Santa Barbara, California, USA","institution_ids":["https://openalex.org/I154570441"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5036143434","display_name":"Joseph J. Batka","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I154570441","display_name":"University of California, Santa Barbara","ror":"https://ror.org/02t274463","country_code":"US","type":"education","lineage":["https://openalex.org/I154570441"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Joseph J. Batka","raw_affiliation_strings":["Department of Chemistry, University of California, Santa Barbara, California, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of California, Santa Barbara, California, USA","institution_ids":["https://openalex.org/I154570441"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5084714835","display_name":"Patrick Weis","orcid":"https://orcid.org/0000-0001-7006-6759","observed_orcids":["https://orcid.org/0000-0001-7006-6759"]},"institutions":[{"id":"https://openalex.org/I154570441","display_name":"University of California, Santa Barbara","ror":"https://ror.org/02t274463","country_code":"US","type":"education","lineage":["https://openalex.org/I154570441"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Patrick Weis","raw_affiliation_strings":["Department of Chemistry, University of California, Santa Barbara, California, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of California, Santa Barbara, California, USA","institution_ids":["https://openalex.org/I154570441"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5023459473","display_name":"Anthony T. Jackson","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Anthony T. Jackson","raw_affiliation_strings":["ICI Research and Technology Centre, Wilton, Middlesbrough Cleveland, UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"ICI Research and Technology Centre, Wilton, Middlesbrough Cleveland, UK","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5080634656","display_name":"James H. Scrivens","orcid":"https://orcid.org/0000-0001-7444-6871","observed_orcids":["https://orcid.org/0000-0001-7444-6871"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"James H. Scrivens","raw_affiliation_strings":["ICI Research and Technology Centre, Wilton, Middlesbrough Cleveland, UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"ICI Research and Technology Centre, Wilton, Middlesbrough Cleveland, UK","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5033847316","display_name":"Michael T. Bowers","orcid":"https://orcid.org/0000-0002-0260-7178","observed_orcids":["https://orcid.org/0000-0002-0260-7178"]},"institutions":[{"id":"https://openalex.org/I154570441","display_name":"University of California, Santa Barbara","ror":"https://ror.org/02t274463","country_code":"US","type":"education","lineage":["https://openalex.org/I154570441"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Michael T. Bowers","raw_affiliation_strings":["Department of Chemistry, University of California, Santa Barbara, California, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of California, Santa Barbara, California, USA","institution_ids":["https://openalex.org/I154570441"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":4500,"currency":"USD","value_usd":4500},"apc_paid":null,"fwci":2.8777,"has_fulltext":false,"cited_by_count":77,"citation_normalized_percentile":{"value":0.92195858,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":88,"max":97},"biblio":{"volume":"10","issue":"9","first_page":"883","last_page":"895"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10683","display_name":"Mass Spectrometry Techniques and Applications","score":0.9932000041007996,"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":0.9932000041007996,"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/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.001500000013038516,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.0010000000474974513,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical 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/lithium-ions","display_name":"lithium ions","score":0.5260000228881836},{"id":"https://openalex.org/keywords/sodium-ions","display_name":"sodium ions","score":0.9990000128746033},{"id":"https://openalex.org/keywords/potassium-cations","display_name":"potassium cations","score":1.0},{"id":"https://openalex.org/keywords/ion-molecule-complexes","display_name":"ion-molecule complexes","score":0.5659999847412109},{"id":"https://openalex.org/keywords/pi-pi-stacking","display_name":"\u03c0-\u03c0 stacking","score":0.5270000100135803},{"id":"https://openalex.org/keywords/isomerization-barrier","display_name":"isomerization barrier","score":0.7279999852180481},{"id":"https://openalex.org/keywords/laser-power-dependence","display_name":"laser power dependence","score":0.6140000224113464},{"id":"https://openalex.org/keywords/binding-energy","display_name":"binding energy","score":0.7649999856948853},{"id":"https://openalex.org/keywords/molecular-dynamics-simulation","display_name":"molecular dynamics simulation","score":0.3370000123977661}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.9126920104026794},{"id":"https://openalex.org/C126661725","wikidata":"https://www.wikidata.org/wiki/Q903420","display_name":"Isomerization","level":3,"score":0.6680709719657898},{"id":"https://openalex.org/C162711632","wikidata":"https://www.wikidata.org/wiki/Q905514","display_name":"Desorption","level":3,"score":0.5790963768959045},{"id":"https://openalex.org/C145148216","wikidata":"https://www.wikidata.org/wiki/Q36496","display_name":"Ion","level":2,"score":0.5501782894134521},{"id":"https://openalex.org/C40325409","wikidata":"https://www.wikidata.org/wiki/Q2360668","display_name":"Mass spectrum","level":3,"score":0.5186169147491455},{"id":"https://openalex.org/C2779546866","wikidata":"https://www.wikidata.org/wiki/Q531306","display_name":"Dimer","level":2,"score":0.4892079830169678},{"id":"https://openalex.org/C2778597550","wikidata":"https://www.wikidata.org/wiki/Q151313","display_name":"Ethylene","level":3,"score":0.4159945547580719},{"id":"https://openalex.org/C198091228","wikidata":"https://www.wikidata.org/wiki/Q19557","display_name":"Alkali metal","level":2,"score":0.4139478802680969},{"id":"https://openalex.org/C113196181","wikidata":"https://www.wikidata.org/wiki/Q485223","display_name":"Analytical Chemistry (journal)","level":2,"score":0.3710876703262329},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.3105878233909607},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.10488668084144592},{"id":"https://openalex.org/C150394285","wikidata":"https://www.wikidata.org/wiki/Q180254","display_name":"Adsorption","level":2,"score":0.0789349377155304},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1016/s1044-0305(99)00054-9","doi":"https://doi.org/10.1016/s1044-0305(99)00054-9","is_oa":false,"landing_page_url":"https://doi.org/10.1016/s1044-0305(99)00054-9","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":"pmh:oai:https://research.tees.ac.uk/ws/oai:openaire_cris_publications/d0d879ec-e3a7-4adf-aaec-33273448fa47","doi":null,"is_oa":false,"landing_page_url":"https://research.tees.ac.uk/en/publications/d0d879ec-e3a7-4adf-aaec-33273448fa47","pdf_url":null,"source":{"id":"https://openalex.org/S4306401198","display_name":"TeesRep (Teesside University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I874055015","host_organization_name":"Teesside University","host_organization_lineage":["https://openalex.org/I874055015"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Gidden, J, Wyttenbach, T, Batka, J J, Weis, P, Bowers, M T, Jackson, A T & Scrivens, J 1999, 'Poly (ethylene terephthalate) oligomers cationized by alkali ions : Structures, energetics, and their effect on mass spectra and the matrix-assisted laser desorption/ionization process', Journal of the American Society for Mass Spectrometry, vol. 10, no. 9, pp. 883-895. https://doi.org/10.1016/S1044-0305(99)00054-9","raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"id":"https://openalex.org/F4320337393","display_name":"Division of Chemistry","ror":"https://ror.org/01ar8dr59"},{"id":"https://openalex.org/F4320338279","display_name":"Air Force Office of Scientific Research","ror":"https://ror.org/011e9bt93"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":43,"referenced_works":["https://openalex.org/W126274145","https://openalex.org/W427342652","https://openalex.org/W589174287","https://openalex.org/W1665864650","https://openalex.org/W1963780497","https://openalex.org/W1970471856","https://openalex.org/W1983172097","https://openalex.org/W2000507554","https://openalex.org/W2001594345","https://openalex.org/W2001759940","https://openalex.org/W2005020015","https://openalex.org/W2012023524","https://openalex.org/W2013749622","https://openalex.org/W2014140929","https://openalex.org/W2017999737","https://openalex.org/W2030964999","https://openalex.org/W2035097259","https://openalex.org/W2038935614","https://openalex.org/W2041541822","https://openalex.org/W2043481289","https://openalex.org/W2045994733","https://openalex.org/W2047572179","https://openalex.org/W2056738083","https://openalex.org/W2059656503","https://openalex.org/W2068096463","https://openalex.org/W2071707224","https://openalex.org/W2073088062","https://openalex.org/W2073444730","https://openalex.org/W2077592844","https://openalex.org/W2078420278","https://openalex.org/W2088539680","https://openalex.org/W2089199004","https://openalex.org/W2092176122","https://openalex.org/W2105976057","https://openalex.org/W2115885740","https://openalex.org/W2124816512","https://openalex.org/W2143830937","https://openalex.org/W2167877086","https://openalex.org/W2171531109","https://openalex.org/W2230658567","https://openalex.org/W2950050810","https://openalex.org/W4250508690","https://openalex.org/W4251700885"],"related_works":["https://openalex.org/W2105976057","https://openalex.org/W1969169718","https://openalex.org/W1983172097","https://openalex.org/W2017437408","https://openalex.org/W2082783125","https://openalex.org/W2786923882","https://openalex.org/W1977506241","https://openalex.org/W1986386619","https://openalex.org/W4400184491","https://openalex.org/W2155215558"],"abstract_inverted_index":{"In":[0,280],"this":[1,184,281],"article":[2],"the":[3,50,67,80,84,89,102,123,129,140,152,187,199,208,222,283,297,301,310,322,327,331,334,349],"folding":[4],"dynamics":[5,73],"and":[6,32,35,78,99,115,131,135,146,165,197,285,316,365],"energetics":[7],"for":[8,27,42,234,252,274],"a":[9,136,239,306,338],"set":[10],"of":[11,71,83,101,180,271,296,309,326,337],"poly(ethylene":[12],"terephthalate)":[13],"(PET)":[14],"oligomers":[15,85],"cationized":[16],"by":[17,66,117,214],"various":[18],"alkali":[19,318,351],"ions":[20,48],"are":[21,112,191,367],"studied:":[22],"M":[23,359],"+":[24,157,219,236,276,360],"PET":[25,125,142,158,220,237,277,339],"n":[26,28,76,108,362],"=2":[29,77],"to":[30,93,128,175,224,229,247,262,266,292,313,321,345],"7":[31],"M=Li,":[33],"Na,":[34],"K.":[36],"Experimental":[37],"cross":[38,63],"sections":[39,64],"were":[40,290],"determined":[41],"matrix-assisted":[43],"laser":[44,298],"desorption/ionization":[45],"(MALDI)":[46],"generated":[47,65],"using":[49],"ion":[51,54,91,319],"mobility":[52],"based":[53],"chromatography":[55],"method.":[56],"Very":[57],"good":[58],"agreement":[59],"was":[60,260],"obtained":[61],"with":[62,88,151,168,203],"amber":[68],"4.0":[69],"suite":[70],"molecular":[72],"programs.":[74],"For":[75,107,155,183,217],"4":[79],"benzene":[81],"rings":[82],"\u03c0":[86],"stack":[87],"metal":[90,153,352],"coordinated":[92],"both":[94,113],"terminal":[95],"hydroxyl":[96,149],"oxygen":[97,105,150],"atoms":[98],"several":[100],"nearby":[103],"carbonyl":[104],"atoms.":[106],"=3,":[109],"two":[110,188],"isomers":[111],"observed":[114,162,200,245,291],"predicted":[116],"theory:":[118],"an":[119,169,173,204,264],"open":[120,174,265,284],"form":[121,138,177,210,268,287],"where":[122,139],"third":[124,141],"monomer":[126],"attaches":[127],"dimer":[130],"extends":[132],"into":[133],"space":[134],"closed":[137,176,209,267,286],"moiety":[143],"bends":[144],"back":[145],"coordinates":[147],"its":[148],"ion.":[154,353],"Na":[156],"3,":[159],"equilibrium":[160],"is":[161,211,226,244,355],"between":[163],"100":[164],"180":[166],"K":[167,196,218],"Arrhenius":[170],"analysis":[171,206],"yielding":[172],"isomerization":[178,225,254,269],"barrier":[179,223,270],"1.6":[181],"kcal/mol.":[182,216],"same":[185],"system":[186],"isomeric":[189,201],"forms":[190],"frozen":[192],"out":[193],"at":[194],"80":[195],"coupling":[198],"distribution":[202,243],"RRKM":[205],"indicates":[207],"more":[212],"stable":[213],"0.5":[215],"3":[221,238,278],"too":[227],"low":[228],"observe":[230],"(<1.0":[231],"kcal/mol),":[232],"whereas":[233],"Li":[235,275],"temperature":[240],"independent":[241],"isomer":[242,288],"(80":[246],"55\u00b0K).":[248],"Using":[249],"methods":[250],"developed":[251],"determining":[253],"barriers":[255],"in":[256,300],"carbon":[257],"clusters":[258],"it":[259],"possible":[261],"obtain":[263],"7\u00b12":[272],"kcal/mol":[273],".":[279],"system,":[282],"populations":[289],"be":[293,314],"strong":[294],"functions":[295],"power":[299],"MALDI":[302],"source.":[303],"This":[304],"allowed":[305],"detailed":[307],"description":[308],"formation":[311],"mechanism":[312],"formulated":[315],"indicated":[317],"attachment":[320],"polymer":[323],"during":[324],"expansion":[325],"plume":[328],"emanating":[329],"from":[330],"surface.":[332],"Finally,":[333],"mass":[335],"spectrum":[336],"oligomer":[340],"sample":[341],"has":[342],"been":[343],"shown":[344,357],"strongly":[346],"depend":[347],"on":[348],"cationizing":[350],"It":[354],"qualitatively":[356],"that":[358],"-PET":[361],"binding":[363],"energies":[364],"structures":[366],"responsible.":[368]},"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":2},{"year":2019,"cited_by_count":3},{"year":2018,"cited_by_count":2},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":4},{"year":2013,"cited_by_count":3},{"year":2012,"cited_by_count":4}],"updated_date":"2026-11-13T13:42:25.865203","created_date":"2016-06-24T00:00:00"}