{"id":"https://openalex.org/W7225252951","doi":"https://doi.org/10.1063/5.0350852","title":"Neutral-to-zwitterionic transition in protonated glycine clusters drives magic number stability","display_name":"Neutral-to-zwitterionic transition in protonated glycine clusters drives magic number stability","publication_year":2026,"publication_date":"2026-11-04","ids":{"openalex":"https://openalex.org/W7225252951","doi":"https://doi.org/10.1063/5.0350852"},"language":"en","primary_location":{"id":"doi:10.1063/5.0350852","doi":"https://doi.org/10.1063/5.0350852","is_oa":true,"landing_page_url":"https://doi.org/10.1063/5.0350852","pdf_url":null,"source":{"id":"https://openalex.org/S77047749","display_name":"The Journal of Chemical Physics","issn_l":"0021-9606","issn":["0021-9606","1089-7690","1520-9032"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-1","ki-jl-1","medline","norway-1","poland-100","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320257","host_organization_name":"American Institute of Physics","host_organization_lineage":["https://openalex.org/P4310320257"],"host_organization_lineage_names":["American Institute of Physics"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The Journal of Chemical Physics","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://doi.org/10.1063/5.0350852","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5091770773","display_name":"Michal E. Roth","orcid":"https://orcid.org/0000-0003-0910-9865","observed_orcids":["https://orcid.org/0000-0003-0910-9865"]},"institutions":[{"id":"https://openalex.org/I13955877","display_name":"Bar-Ilan University","ror":"https://ror.org/03kgsv495","country_code":"IL","type":"education","lineage":["https://openalex.org/I13955877"]}],"countries":["IL"],"is_corresponding":false,"raw_author_name":"Michal Roth First","raw_affiliation_strings":["Department of Physics and Institute of Nanotechnology and Advanced Materials, Bar-Ilan University 1 , 5290002 Ramat-Gan,"],"raw_orcid":"https://orcid.org/0000-0003-0910-9865","affiliations":[{"raw_affiliation_string":"Department of Physics and Institute of Nanotechnology and Advanced Materials, Bar-Ilan University 1 , 5290002 Ramat-Gan,","institution_ids":["https://openalex.org/I13955877"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5160690806","display_name":"Mirit Anabi","orcid":"https://orcid.org/0009-0005-2837-4906","observed_orcids":["https://orcid.org/0009-0005-2837-4906"]},"institutions":[{"id":"https://openalex.org/I13955877","display_name":"Bar-Ilan University","ror":"https://ror.org/03kgsv495","country_code":"IL","type":"education","lineage":["https://openalex.org/I13955877"]}],"countries":["IL"],"is_corresponding":false,"raw_author_name":"Mirit Anabi","raw_affiliation_strings":["Department of Physics and Institute of Nanotechnology and Advanced Materials, Bar-Ilan University 1 , 5290002 Ramat-Gan,"],"raw_orcid":"https://orcid.org/0009-0005-2837-4906","affiliations":[{"raw_affiliation_string":"Department of Physics and Institute of Nanotechnology and Advanced Materials, Bar-Ilan University 1 , 5290002 Ramat-Gan,","institution_ids":["https://openalex.org/I13955877"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5067700829","display_name":"Ori Licht","orcid":"https://orcid.org/0000-0001-6676-0174","observed_orcids":["https://orcid.org/0000-0001-6676-0174"]},"institutions":[{"id":"https://openalex.org/I13955877","display_name":"Bar-Ilan University","ror":"https://ror.org/03kgsv495","country_code":"IL","type":"education","lineage":["https://openalex.org/I13955877"]}],"countries":["IL"],"is_corresponding":false,"raw_author_name":"Ori Licht","raw_affiliation_strings":["Department of Physics and Institute of Nanotechnology and Advanced Materials, Bar-Ilan University 1 , 5290002 Ramat-Gan,"],"raw_orcid":"https://orcid.org/0000-0001-6676-0174","affiliations":[{"raw_affiliation_string":"Department of Physics and Institute of Nanotechnology and Advanced Materials, Bar-Ilan University 1 , 5290002 Ramat-Gan,","institution_ids":["https://openalex.org/I13955877"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5022009203","display_name":"Dan Thomas Major","orcid":"https://orcid.org/0000-0002-9231-0676","observed_orcids":["https://orcid.org/0000-0002-9231-0676"]},"institutions":[{"id":"https://openalex.org/I13955877","display_name":"Bar-Ilan University","ror":"https://ror.org/03kgsv495","country_code":"IL","type":"education","lineage":["https://openalex.org/I13955877"]}],"countries":["IL"],"is_corresponding":false,"raw_author_name":"Dan Thomas Major","raw_affiliation_strings":["Department of Chemsitry and Institute of Nanotechnology and Advanced Materials, Bar-Ilan University 2 , 5290002 Ramat-Gan,"],"raw_orcid":"https://orcid.org/0000-0002-9231-0676","affiliations":[{"raw_affiliation_string":"Department of Chemsitry and Institute of Nanotechnology and Advanced Materials, Bar-Ilan University 2 , 5290002 Ramat-Gan,","institution_ids":["https://openalex.org/I13955877"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5001219441","display_name":"Yoni Toker","orcid":"https://orcid.org/0000-0003-1809-7659","observed_orcids":["https://orcid.org/0000-0003-1809-7659"]},"institutions":[{"id":"https://openalex.org/I13955877","display_name":"Bar-Ilan University","ror":"https://ror.org/03kgsv495","country_code":"IL","type":"education","lineage":["https://openalex.org/I13955877"]}],"countries":["IL"],"is_corresponding":false,"raw_author_name":"Yoni Toker","raw_affiliation_strings":["Department of Physics and Institute of Nanotechnology and Advanced Materials, Bar-Ilan University 1 , 5290002 Ramat-Gan,"],"raw_orcid":"https://orcid.org/0000-0003-1809-7659","affiliations":[{"raw_affiliation_string":"Department of Physics and Institute of Nanotechnology and Advanced Materials, Bar-Ilan University 1 , 5290002 Ramat-Gan,","institution_ids":["https://openalex.org/I13955877"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I13955877"],"apc_list":{"value":3500,"currency":"USD","value_usd":3500},"apc_paid":{"value":3500,"currency":"USD","value_usd":3500},"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.71558378,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"165","issue":"17","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10683","display_name":"Mass Spectrometry Techniques and Applications","score":0.9491999745368958,"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":0.9491999745368958,"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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.019099999219179153,"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/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.01080000028014183,"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"}}],"keywords":[],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7089999914169312},{"id":"https://openalex.org/C2776921874","wikidata":"https://www.wikidata.org/wiki/Q427504","display_name":"Magic number (chemistry)","level":3,"score":0.7041000127792358},{"id":"https://openalex.org/C164866538","wikidata":"https://www.wikidata.org/wiki/Q367351","display_name":"Cluster (spacecraft)","level":2,"score":0.6891999840736389},{"id":"https://openalex.org/C2776403692","wikidata":"https://www.wikidata.org/wiki/Q898416","display_name":"Trimer","level":3,"score":0.6700999736785889},{"id":"https://openalex.org/C189754071","wikidata":"https://www.wikidata.org/wiki/Q7291972","display_name":"Random hexamer","level":2,"score":0.6435999870300293},{"id":"https://openalex.org/C2777756961","wikidata":"https://www.wikidata.org/wiki/Q620730","display_name":"Glycine","level":3,"score":0.5777999758720398},{"id":"https://openalex.org/C30095370","wikidata":"https://www.wikidata.org/wiki/Q899488","display_name":"Protonation","level":3,"score":0.5583000183105469},{"id":"https://openalex.org/C40684141","wikidata":"https://www.wikidata.org/wiki/Q902061","display_name":"Electrospray ionization","level":3,"score":0.5572999715805054},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.5281999707221985},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.4528999924659729},{"id":"https://openalex.org/C162356407","wikidata":"https://www.wikidata.org/wiki/Q180809","display_name":"Mass spectrometry","level":2,"score":0.4366999864578247},{"id":"https://openalex.org/C191015642","wikidata":"https://www.wikidata.org/wiki/Q1132459","display_name":"Fragmentation (computing)","level":2,"score":0.42320001125335693},{"id":"https://openalex.org/C186399102","wikidata":"https://www.wikidata.org/wiki/Q903517","display_name":"Chemical stability","level":2,"score":0.4124999940395355},{"id":"https://openalex.org/C59061564","wikidata":"https://www.wikidata.org/wiki/Q7783071","display_name":"Thermal stability","level":2,"score":0.40059998631477356},{"id":"https://openalex.org/C89031862","wikidata":"https://www.wikidata.org/wiki/Q906964","display_name":"Transition state","level":3,"score":0.38769999146461487},{"id":"https://openalex.org/C40325409","wikidata":"https://www.wikidata.org/wiki/Q2360668","display_name":"Mass spectrum","level":3,"score":0.3659999966621399},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.349700003862381},{"id":"https://openalex.org/C198291218","wikidata":"https://www.wikidata.org/wiki/Q190382","display_name":"Ionization","level":3,"score":0.3359000086784363},{"id":"https://openalex.org/C93282013","wikidata":"https://www.wikidata.org/wiki/Q420754","display_name":"Binding energy","level":2,"score":0.3246000111103058},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.3052999973297119},{"id":"https://openalex.org/C102931765","wikidata":"https://www.wikidata.org/wiki/Q189673","display_name":"Dissociation (chemistry)","level":2,"score":0.301800012588501},{"id":"https://openalex.org/C147192597","wikidata":"https://www.wikidata.org/wiki/Q483769","display_name":"Ionization energy","level":4,"score":0.26570001244544983},{"id":"https://openalex.org/C149288129","wikidata":"https://www.wikidata.org/wiki/Q185357","display_name":"Phase transition","level":2,"score":0.26499998569488525},{"id":"https://openalex.org/C135889238","wikidata":"https://www.wikidata.org/wiki/Q46276","display_name":"Kinetic energy","level":2,"score":0.2635999917984009},{"id":"https://openalex.org/C112972136","wikidata":"https://www.wikidata.org/wiki/Q7595718","display_name":"Stability (learning theory)","level":2,"score":0.26010000705718994},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.2574999928474426},{"id":"https://openalex.org/C194451485","wikidata":"https://www.wikidata.org/wiki/Q1327575","display_name":"Electrospray","level":3,"score":0.2540000081062317}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1063/5.0350852","doi":"https://doi.org/10.1063/5.0350852","is_oa":true,"landing_page_url":"https://doi.org/10.1063/5.0350852","pdf_url":null,"source":{"id":"https://openalex.org/S77047749","display_name":"The Journal of Chemical Physics","issn_l":"0021-9606","issn":["0021-9606","1089-7690","1520-9032"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-1","ki-jl-1","medline","norway-1","poland-100","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320257","host_organization_name":"American Institute of Physics","host_organization_lineage":["https://openalex.org/P4310320257"],"host_organization_lineage_names":["American Institute of Physics"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The Journal of Chemical Physics","raw_type":"journal-article"}],"best_oa_location":{"id":"doi:10.1063/5.0350852","doi":"https://doi.org/10.1063/5.0350852","is_oa":true,"landing_page_url":"https://doi.org/10.1063/5.0350852","pdf_url":null,"source":{"id":"https://openalex.org/S77047749","display_name":"The Journal of Chemical Physics","issn_l":"0021-9606","issn":["0021-9606","1089-7690","1520-9032"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-1","ki-jl-1","medline","norway-1","poland-100","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320257","host_organization_name":"American Institute of Physics","host_organization_lineage":["https://openalex.org/P4310320257"],"host_organization_lineage_names":["American Institute of Physics"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The Journal of Chemical Physics","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":31,"referenced_works":["https://openalex.org/W1763673911","https://openalex.org/W1858492515","https://openalex.org/W1984940307","https://openalex.org/W1991246329","https://openalex.org/W2008542862","https://openalex.org/W2017387061","https://openalex.org/W2019425478","https://openalex.org/W2027035453","https://openalex.org/W2027102712","https://openalex.org/W2034409697","https://openalex.org/W2050702660","https://openalex.org/W2069529831","https://openalex.org/W2070753604","https://openalex.org/W2077487292","https://openalex.org/W2090935319","https://openalex.org/W2104827163","https://openalex.org/W2150697053","https://openalex.org/W2169343537","https://openalex.org/W2343689880","https://openalex.org/W2395868755","https://openalex.org/W2418973097","https://openalex.org/W2555870966","https://openalex.org/W2605136219","https://openalex.org/W2734713163","https://openalex.org/W2796509984","https://openalex.org/W2911997094","https://openalex.org/W3020719222","https://openalex.org/W4388870365","https://openalex.org/W4389976079","https://openalex.org/W4393045038","https://openalex.org/W7116654488"],"related_works":[],"abstract_inverted_index":{"Molecular":[0],"clusters":[1,77,99,118,217],"in":[2,162,215,224],"the":[3,39,114,129,132,170,174,178,182,196,210,219],"gas":[4],"phase":[5],"often":[6],"exhibit":[7],"\u201cmagic":[8],"numbers,\u201d":[9],"corresponding":[10],"to":[11,20,37,79,149],"enhanced":[12,179],"abundances":[13],"at":[14,55],"specific":[15],"cluster":[16,56,134],"sizes,":[17],"typically":[18],"attributed":[19],"particularly":[21],"stable":[22],"geometric":[23],"arrangements.":[24],"Here,":[25],"we":[26,69],"combine":[27],"electrospray":[28,190],"ionization":[29],"mass":[30,49],"spectrometry":[31],"(ESI-MS)":[32],"with":[33,100,186,195],"quantum":[34],"chemical":[35],"calculations":[36,96],"investigate":[38],"structure":[40,85,89],"and":[41,61,91,105,124,155,218],"stability":[42,93,198],"of":[43,75,110,121,173,181,199,212,221],"protonated":[44],"glycine":[45,76,112,126,216],"clusters.":[46],"The":[47],"experimental":[48],"spectrum":[50],"reveals":[51],"pronounced":[52,160],"magic":[53,213],"numbers":[54,214],"sizes":[57],"n":[58,62,80,101,115],"=":[59,63,81,102,116],"3":[60],"6.":[64],"To":[65],"elucidate":[66],"their":[67],"origin,":[68],"performed":[70],"a":[71,150,159,166],"systematic":[72],"computational":[73],"investigation":[74],"up":[78],"7,":[82],"including":[83],"global":[84,201],"searches,":[86],"high-level":[87],"electronic":[88],"calculations,":[90],"thermal":[92,163],"simulations.":[94],"Our":[95],"show":[97],"that":[98],"2,":[103],"4,":[104],"5":[106],"are":[107,119],"predominantly":[108],"composed":[109,120],"canonical":[111],"molecules;":[113],"7":[117],"both":[122],"neutral":[123],"zwitterionic":[125,139,222],"molecules,":[127],"whereas":[128],"hexamer":[130],"is":[131,156,184],"first":[133],"size":[135],"for":[136,169],"which":[137],"fully":[138],"structures":[140],"become":[141],"thermodynamically":[142],"preferred.":[143],"This":[144],"neutral-to-zwitterionic":[145],"transition":[146],"gives":[147],"rise":[148],"highly":[151],"cooperative":[152],"hydrogen-bonding":[153],"network":[154],"accompanied":[157],"by":[158],"increase":[161],"stability,":[164],"providing":[165],"natural":[167],"explanation":[168],"exceptional":[171],"abundance":[172,180],"hexamer.":[175],"In":[176],"contrast,":[177],"trimer":[183],"consistent":[185],"kinetic":[187],"stabilization":[188,223],"under":[189],"ion-source":[191],"conditions":[192],"rather":[193],"than":[194],"thermodynamic":[197],"its":[200],"free-energy":[202],"minimum.":[203],"These":[204],"findings":[205],"provide":[206],"molecular-level":[207],"insight":[208],"into":[209],"emergence":[211],"onset":[220],"finite":[225],"molecular":[226],"assemblies.":[227]},"counts_by_year":[],"updated_date":"2026-11-05T12:25:35.769452","created_date":"2026-11-05T00:00:00"}
