{"id":"https://openalex.org/W763352336","doi":"https://doi.org/10.1021/jp512788a","title":"Effect of Pore Size and Interactions on Paracetamol Aggregation in Porous Polyethylene Glycol Diacrylate Polymers","display_name":"Effect of Pore Size and Interactions on Paracetamol Aggregation in Porous Polyethylene Glycol Diacrylate Polymers","publication_year":2015,"publication_date":"2015-05-28","ids":{"openalex":"https://openalex.org/W763352336","doi":"https://doi.org/10.1021/jp512788a","mag":"763352336","pmid":"https://pubmed.ncbi.nlm.nih.gov/26020450"},"language":"en","primary_location":{"id":"doi:10.1021/jp512788a","doi":"https://doi.org/10.1021/jp512788a","is_oa":false,"landing_page_url":"https://doi.org/10.1021/jp512788a","pdf_url":null,"source":{"id":"https://openalex.org/S185621672","display_name":"The Journal of Physical Chemistry B","issn_l":"1520-5207","issn":["1520-5207","1520-6106"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-c","jufo-1","ki-jl-1","medline","norway-1","poland-140","russia-white-list-2","vabb-shw"],"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":"The Journal of Physical Chemistry B","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":null,"display_name":"Manju Sharma","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I63966007","display_name":"Massachusetts Institute of Technology","ror":"https://ror.org/042nb2s44","country_code":"US","type":"education","lineage":["https://openalex.org/I63966007"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Manju Sharma","raw_affiliation_strings":["Department of Chemical Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemical Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States","institution_ids":["https://openalex.org/I63966007"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5000143645","display_name":"Bernhardt L. Trout","orcid":"https://orcid.org/0000-0003-1417-9470","observed_orcids":["https://orcid.org/0000-0003-1417-9470","https://orcid.org/0000-0002-9515-746X"]},"institutions":[{"id":"https://openalex.org/I63966007","display_name":"Massachusetts Institute of Technology","ror":"https://ror.org/042nb2s44","country_code":"US","type":"education","lineage":["https://openalex.org/I63966007"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Bernhardt L. Trout","raw_affiliation_strings":["Department of Chemical Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemical Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States","institution_ids":["https://openalex.org/I63966007"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5000143645"],"corresponding_institution_ids":["https://openalex.org/I63966007"],"apc_list":null,"apc_paid":null,"fwci":0.4055,"has_fulltext":false,"cited_by_count":14,"citation_normalized_percentile":{"value":0.55515072,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":96},"biblio":{"volume":"119","issue":"25","first_page":"8135","last_page":"8145"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11881","display_name":"Crystallization and Solubility Studies","score":0.9115999937057495,"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"}},"topics":[{"id":"https://openalex.org/T11881","display_name":"Crystallization and Solubility Studies","score":0.9115999937057495,"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"}},{"id":"https://openalex.org/T10256","display_name":"Drug Solubulity and Delivery Systems","score":0.018799999728798866,"subfield":{"id":"https://openalex.org/subfields/3003","display_name":"Pharmaceutical Science"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10389","display_name":"Polymer crystallization and properties","score":0.01640000008046627,"subfield":{"id":"https://openalex.org/subfields/2507","display_name":"Polymers and Plastics"},"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/paracetamol","display_name":"paracetamol","score":0.9380000233650208},{"id":"https://openalex.org/keywords/poly-ethylene-glycol-diacrylate","display_name":"poly(ethylene glycol) diacrylate","score":0.925000011920929},{"id":"https://openalex.org/keywords/drug-aggregation","display_name":"drug aggregation","score":0.8360000252723694},{"id":"https://openalex.org/keywords/pore-size","display_name":"pore size","score":0.7459999918937683},{"id":"https://openalex.org/keywords/drug-polymer-interactions","display_name":"drug-polymer interactions","score":0.800000011920929},{"id":"https://openalex.org/keywords/nucleation","display_name":"nucleation","score":0.718999981880188},{"id":"https://openalex.org/keywords/drug-polymorphism","display_name":"drug polymorphism","score":0.4569999873638153},{"id":"https://openalex.org/keywords/crystal-forms","display_name":"crystal forms","score":0.45500001311302185},{"id":"https://openalex.org/keywords/solvent-concentration","display_name":"solvent concentration","score":0.6539999842643738},{"id":"https://openalex.org/keywords/porous-polymers","display_name":"porous polymers","score":0.7059999704360962},{"id":"https://openalex.org/keywords/drug-delivery","display_name":"drug delivery","score":0.6129999756813049}],"concepts":[{"id":"https://openalex.org/C521977710","wikidata":"https://www.wikidata.org/wiki/Q81163","display_name":"Polymer","level":2,"score":0.8284235000610352},{"id":"https://openalex.org/C2776964284","wikidata":"https://www.wikidata.org/wiki/Q410083","display_name":"Polyethylene glycol","level":2,"score":0.7578786611557007},{"id":"https://openalex.org/C61048295","wikidata":"https://www.wikidata.org/wiki/Q909022","display_name":"Nucleation","level":2,"score":0.6356472969055176},{"id":"https://openalex.org/C42360764","wikidata":"https://www.wikidata.org/wiki/Q83588","display_name":"Chemical engineering","level":1,"score":0.5429409146308899},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.5344324111938477},{"id":"https://openalex.org/C6648577","wikidata":"https://www.wikidata.org/wiki/Q622669","display_name":"Porosity","level":2,"score":0.5163763761520386},{"id":"https://openalex.org/C2780471494","wikidata":"https://www.wikidata.org/wiki/Q146505","display_name":"Solvent","level":2,"score":0.4982788562774658},{"id":"https://openalex.org/C188027245","wikidata":"https://www.wikidata.org/wiki/Q750446","display_name":"Polymer chemistry","level":1,"score":0.36805248260498047},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3533480167388916},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.176896870136261},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","level":1,"score":0.12157973647117615},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.0}],"mesh":[{"descriptor_ui":"D000082","descriptor_name":"Acetaminophen","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D000431","descriptor_name":"Ethanol","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011092","descriptor_name":"Polyethylene Glycols","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D012997","descriptor_name":"Solvents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014867","descriptor_name":"Water","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016062","descriptor_name":"Porosity","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":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/jp512788a","doi":"https://doi.org/10.1021/jp512788a","is_oa":false,"landing_page_url":"https://doi.org/10.1021/jp512788a","pdf_url":null,"source":{"id":"https://openalex.org/S185621672","display_name":"The Journal of Physical Chemistry B","issn_l":"1520-5207","issn":["1520-5207","1520-6106"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-c","jufo-1","ki-jl-1","medline","norway-1","poland-140","russia-white-list-2","vabb-shw"],"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":"The Journal of Physical Chemistry B","raw_type":"journal-article"},{"id":"pmid:26020450","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/26020450","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":"The journal of physical chemistry. B","raw_type":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320307778","display_name":"Novartis","ror":"https://ror.org/02f9zrr09"},{"id":"https://openalex.org/F4320333797","display_name":"Novartis-MIT Center for Continuous Manufacturing","ror":"https://ror.org/02dgwnb72"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":45,"referenced_works":["https://openalex.org/W1968666708","https://openalex.org/W1970027895","https://openalex.org/W1971065295","https://openalex.org/W1974802260","https://openalex.org/W1975698092","https://openalex.org/W1981969427","https://openalex.org/W1992169482","https://openalex.org/W1995335692","https://openalex.org/W1996898693","https://openalex.org/W1997196168","https://openalex.org/W1998299443","https://openalex.org/W2001909877","https://openalex.org/W2003412404","https://openalex.org/W2003949305","https://openalex.org/W2007464935","https://openalex.org/W2010202920","https://openalex.org/W2018612157","https://openalex.org/W2019465613","https://openalex.org/W2022763889","https://openalex.org/W2024971802","https://openalex.org/W2028045919","https://openalex.org/W2029374227","https://openalex.org/W2039141867","https://openalex.org/W2039530916","https://openalex.org/W2039712216","https://openalex.org/W2059365736","https://openalex.org/W2060159611","https://openalex.org/W2067813084","https://openalex.org/W2083915817","https://openalex.org/W2089462108","https://openalex.org/W2093385737","https://openalex.org/W2096759743","https://openalex.org/W2122613318","https://openalex.org/W2126161752","https://openalex.org/W2131011009","https://openalex.org/W2132551021","https://openalex.org/W2142958296","https://openalex.org/W2151767264","https://openalex.org/W2158515906","https://openalex.org/W2169390877","https://openalex.org/W2170507872","https://openalex.org/W2314676374","https://openalex.org/W2319835361","https://openalex.org/W2328452127","https://openalex.org/W2334100732"],"related_works":["https://openalex.org/W1579339224","https://openalex.org/W4387646317","https://openalex.org/W2313119121","https://openalex.org/W2887728910","https://openalex.org/W2335668903","https://openalex.org/W2030103727","https://openalex.org/W7220828801","https://openalex.org/W4414057204","https://openalex.org/W2583179415","https://openalex.org/W3005975070"],"abstract_inverted_index":{"In":[0],"this":[1,76],"study,":[2],"we":[3,136],"report":[4],"the":[5,17,25,63,72,89,96,120,126,132,155,165],"results":[6,80],"of":[7,19,27,56,62,71,91,105,107,111,122,142,148,167],"an":[8],"all-atom":[9],"molecular":[10],"dynamics":[11],"(MD)":[12],"based":[13],"simulation":[14,79],"that":[15,53,82,95,135,154],"elucidates":[16],"effect":[18],"pore":[20,117,174],"size":[21,90,112],"and":[22,94,125,146],"interactions":[23,98],"on":[24],"aggregation":[26,84],"paracetamol":[28,57,83,108,149,179],"in":[29,60,119,130,157],"polyethylene":[30],"glycol":[31],"diacrylate":[32],"(PEGDA)":[33],"polymers.":[34],"Recent":[35],"experimental":[36],"studies":[37],"(":[38],"J.":[39],"Am.":[40],"Chem.":[41],"Soc.":[42],"2011":[43],",":[44,46],"133":[45],"3756":[47],"-":[48],"3759":[49],")":[50],"have":[51,137,140],"shown":[52],"nucleation":[54],"rate":[55],"is":[58,85,114],"highest":[59,115],"one":[61],"PEGDA":[64,92,133,158],"polymers":[65,134,159],"(PEG200DA)":[66],"but":[67],"lack":[68],"clear":[69],"understanding":[70],"factors":[73],"responsible":[74],"for":[75,116,177],"anomaly.":[77],"Our":[78],"show":[81],"predominantly":[86],"governed":[87],"by":[88,164],"pores":[93,156],"polymer-paracetamol":[97],"play":[99],"a":[100,168],"secondary":[101],"role.":[102],"The":[103],"probability":[104],"formation":[106],"aggregates,":[109],"especially":[110],"four,":[113],"sizes":[118,175],"range":[121],"14-25":[123],"\u00c5,":[124],"drug-drug":[127],"angle":[128],"distributions":[129],"all":[131],"studied":[138],"here":[139],"characteristics":[141],"both":[143],"forms":[144],"I":[145],"II":[147],"crystals.":[150],"We":[151],"also":[152],"demonstrate":[153],"can":[160],"be":[161],"further":[162],"engineered":[163],"use":[166],"suitable":[169],"solvent":[170],"concentration":[171],"to":[172],"achieve":[173],"optimal":[176],"improved":[178],"aggregation.":[180]},"counts_by_year":[{"year":2025,"cited_by_count":2},{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":2},{"year":2018,"cited_by_count":1},{"year":2017,"cited_by_count":2}],"updated_date":"2026-10-31T12:09:11.096373","created_date":"2016-06-24T00:00:00"}
