{"id":"https://openalex.org/W2474723637","doi":"https://doi.org/10.1021/acs.cgd.5b00207","title":"Sweet Theophylline Cocrystal with Two Tautomers of Acesulfame","display_name":"Sweet Theophylline Cocrystal with Two Tautomers of Acesulfame","publication_year":2015,"publication_date":"2015-05-20","ids":{"openalex":"https://openalex.org/W2474723637","doi":"https://doi.org/10.1021/acs.cgd.5b00207","mag":"2474723637"},"language":"en","primary_location":{"id":"doi:10.1021/acs.cgd.5b00207","doi":"https://doi.org/10.1021/acs.cgd.5b00207","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.cgd.5b00207","pdf_url":null,"source":{"id":"https://openalex.org/S16561315","display_name":"Crystal Growth & Design","issn_l":"1528-7483","issn":["1528-7483","1528-7505"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-c","jufo-2","norway-2","poland-100","russia-white-list-1","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":"Crystal Growth & Design","raw_type":"journal-article"},"volume":null,"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/A5049949381","display_name":"Lin Wang","orcid":"https://orcid.org/0000-0002-7828-1071","observed_orcids":["https://orcid.org/0000-0002-7828-1071"]},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I3923682","display_name":"Soochow University","ror":"https://ror.org/05t8y2r12","country_code":"CN","type":"education","lineage":["https://openalex.org/I3923682"]},{"id":"https://openalex.org/I4210092495","display_name":"Suzhou Institute of Nano-tech and Nano-bionics","ror":"https://ror.org/0027d9x02","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210092495"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Lin Wang","raw_affiliation_strings":["College\rof Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou 215123, P.R. China","Laboratory\rof Magnetic Resonance Spectroscopy and Imaging, Suzhou Institute of\rNano-Tech and Nano-Bionics, Chinese Academy of Sciences, Suzhou 215123, P.R. China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College\rof Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou 215123, P.R. China","institution_ids":["https://openalex.org/I3923682"]},{"raw_affiliation_string":"Laboratory\rof Magnetic Resonance Spectroscopy and Imaging, Suzhou Institute of\rNano-Tech and Nano-Bionics, Chinese Academy of Sciences, Suzhou 215123, P.R. China","institution_ids":["https://openalex.org/I19820366","https://openalex.org/I4210092495"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5090926534","display_name":"Min Luo","orcid":"https://orcid.org/0000-0003-4019-5861","observed_orcids":["https://orcid.org/0000-0003-4019-5861"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Min Luo","raw_affiliation_strings":["Crystal Pharmatech, Suzhou Industrial Park, Suzhou 215123, P.R. China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Crystal Pharmatech, Suzhou Industrial Park, Suzhou 215123, P.R. China","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100372619","display_name":"Jianhui Li","orcid":"https://orcid.org/0009-0001-6253-9808","observed_orcids":["https://orcid.org/0009-0001-6253-9808"]},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210092495","display_name":"Suzhou Institute of Nano-tech and Nano-bionics","ror":"https://ror.org/0027d9x02","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210092495"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jianhui Li","raw_affiliation_strings":["Laboratory\rof Magnetic Resonance Spectroscopy and Imaging, Suzhou Institute of\rNano-Tech and Nano-Bionics, Chinese Academy of Sciences, Suzhou 215123, P.R. China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory\rof Magnetic Resonance Spectroscopy and Imaging, Suzhou Institute of\rNano-Tech and Nano-Bionics, Chinese Academy of Sciences, Suzhou 215123, P.R. China","institution_ids":["https://openalex.org/I19820366","https://openalex.org/I4210092495"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100707507","display_name":"Jianming Wang","orcid":"https://orcid.org/0000-0002-9151-284X","observed_orcids":["https://orcid.org/0000-0002-9151-284X"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Jianming Wang","raw_affiliation_strings":["Crystal Pharmatech, Suzhou Industrial Park, Suzhou 215123, P.R. China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Crystal Pharmatech, Suzhou Industrial Park, Suzhou 215123, P.R. China","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5057189871","display_name":"Hailu Zhang","orcid":"https://orcid.org/0000-0001-6936-9197","observed_orcids":["https://orcid.org/0000-0001-6936-9197"]},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210092495","display_name":"Suzhou Institute of Nano-tech and Nano-bionics","ror":"https://ror.org/0027d9x02","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210092495"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Hailu Zhang","raw_affiliation_strings":["Laboratory\rof Magnetic Resonance Spectroscopy and Imaging, Suzhou Institute of\rNano-Tech and Nano-Bionics, Chinese Academy of Sciences, Suzhou 215123, P.R. China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory\rof Magnetic Resonance Spectroscopy and Imaging, Suzhou Institute of\rNano-Tech and Nano-Bionics, Chinese Academy of Sciences, Suzhou 215123, P.R. China","institution_ids":["https://openalex.org/I19820366","https://openalex.org/I4210092495"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5052210052","display_name":"Zongwu Deng","orcid":"https://orcid.org/0000-0002-9564-3740","observed_orcids":["https://orcid.org/0000-0002-9564-3740"]},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210092495","display_name":"Suzhou Institute of Nano-tech and Nano-bionics","ror":"https://ror.org/0027d9x02","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210092495"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zongwu Deng","raw_affiliation_strings":["Laboratory\rof Magnetic Resonance Spectroscopy and Imaging, Suzhou Institute of\rNano-Tech and Nano-Bionics, Chinese Academy of Sciences, Suzhou 215123, P.R. China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory\rof Magnetic Resonance Spectroscopy and Imaging, Suzhou Institute of\rNano-Tech and Nano-Bionics, Chinese Academy of Sciences, Suzhou 215123, P.R. China","institution_ids":["https://openalex.org/I19820366","https://openalex.org/I4210092495"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5057189871"],"corresponding_institution_ids":["https://openalex.org/I19820366","https://openalex.org/I4210092495"],"apc_list":{"value":4500,"currency":"USD","value_usd":4500},"apc_paid":null,"fwci":3.504,"has_fulltext":false,"cited_by_count":45,"citation_normalized_percentile":{"value":0.94467497,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":88,"max":99},"biblio":{"volume":"15","issue":"6","first_page":"2574","last_page":"2578"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10798","display_name":"Crystallography and molecular interactions","score":0.9794999957084656,"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"}},"topics":[{"id":"https://openalex.org/T10798","display_name":"Crystallography and molecular interactions","score":0.9794999957084656,"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"}},{"id":"https://openalex.org/T11881","display_name":"Crystallization and Solubility Studies","score":0.017500000074505806,"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/T10464","display_name":"Crystal structures of chemical compounds","score":0.0006000000284984708,"subfield":{"id":"https://openalex.org/subfields/1604","display_name":"Inorganic 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/theophylline","display_name":"theophylline","score":0.9729999899864197},{"id":"https://openalex.org/keywords/acesulfame","display_name":"acesulfame","score":0.9909999966621399},{"id":"https://openalex.org/keywords/cocrystals","display_name":"cocrystals","score":0.722000002861023},{"id":"https://openalex.org/keywords/keto-enol-tautomerism","display_name":"keto-enol tautomerism","score":0.9300000071525574},{"id":"https://openalex.org/keywords/artificial-sweeteners","display_name":"artificial sweeteners","score":0.7789999842643738},{"id":"https://openalex.org/keywords/supramolecular-synthons","display_name":"supramolecular synthons","score":0.8659999966621399},{"id":"https://openalex.org/keywords/solubility-enhancement","display_name":"solubility enhancement","score":0.8500000238418579},{"id":"https://openalex.org/keywords/crystal-structure","display_name":"crystal structure","score":0.6370000243186951},{"id":"https://openalex.org/keywords/solid-state-nmr","display_name":"solid-state NMR","score":0.75}],"concepts":[{"id":"https://openalex.org/C100687433","wikidata":"https://www.wikidata.org/wiki/Q5139913","display_name":"Cocrystal","level":4,"score":0.9888191223144531},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.8525971174240112},{"id":"https://openalex.org/C111233374","wikidata":"https://www.wikidata.org/wiki/Q334640","display_name":"Tautomer","level":2,"score":0.8246427774429321},{"id":"https://openalex.org/C40869318","wikidata":"https://www.wikidata.org/wiki/Q899050","display_name":"Synthon","level":2,"score":0.7975375652313232},{"id":"https://openalex.org/C2778095195","wikidata":"https://www.wikidata.org/wiki/Q407308","display_name":"Theophylline","level":2,"score":0.6958648562431335},{"id":"https://openalex.org/C147535893","wikidata":"https://www.wikidata.org/wiki/Q408053","display_name":"Keto\u2013enol tautomerism","level":3,"score":0.57347571849823},{"id":"https://openalex.org/C2777495281","wikidata":"https://www.wikidata.org/wiki/Q408053","display_name":"Enol","level":3,"score":0.5693169832229614},{"id":"https://openalex.org/C155574463","wikidata":"https://www.wikidata.org/wiki/Q170731","display_name":"Solubility","level":2,"score":0.46899154782295227},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.43465250730514526},{"id":"https://openalex.org/C93275456","wikidata":"https://www.wikidata.org/wiki/Q756449","display_name":"Supramolecular chemistry","level":3,"score":0.42619380354881287},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.3954969048500061},{"id":"https://openalex.org/C112887158","wikidata":"https://www.wikidata.org/wiki/Q169324","display_name":"Hydrogen bond","level":3,"score":0.2632173001766205},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.2529471516609192},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.0},{"id":"https://openalex.org/C134018914","wikidata":"https://www.wikidata.org/wiki/Q162606","display_name":"Endocrinology","level":1,"score":0.0},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1021/acs.cgd.5b00207","doi":"https://doi.org/10.1021/acs.cgd.5b00207","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.cgd.5b00207","pdf_url":null,"source":{"id":"https://openalex.org/S16561315","display_name":"Crystal Growth & Design","issn_l":"1528-7483","issn":["1528-7483","1528-7505"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-c","jufo-2","norway-2","poland-100","russia-white-list-1","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":"Crystal Growth & Design","raw_type":"journal-article"},{"id":"pmh:oai:ir.sinano.ac.cn:332007/3367","doi":null,"is_oa":false,"landing_page_url":"http://ir.sinano.ac.cn/handle/332007/3367","pdf_url":null,"source":null,"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":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G2195968551","display_name":null,"funder_award_id":"BZ201402","funder_id":"https://openalex.org/F4320321605","funder_display_name":"Government of Jiangsu Province"},{"id":"https://openalex.org/G3121065484","display_name":null,"funder_award_id":"BK2012191","funder_id":"https://openalex.org/F4320322769","funder_display_name":"Natural Science Foundation of Jiangsu Province"},{"id":"https://openalex.org/G7898156203","display_name":null,"funder_award_id":"21205129","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"}],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320321605","display_name":"Government of Jiangsu Province","ror":"https://ror.org/004svx814"},{"id":"https://openalex.org/F4320322769","display_name":"Natural Science Foundation of Jiangsu Province","ror":"https://ror.org/01h0zpd94"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":38,"referenced_works":["https://openalex.org/W1970389182","https://openalex.org/W1971092673","https://openalex.org/W1977313353","https://openalex.org/W1981356530","https://openalex.org/W1981924933","https://openalex.org/W1992643424","https://openalex.org/W1992964622","https://openalex.org/W1993600548","https://openalex.org/W1996495695","https://openalex.org/W2011111095","https://openalex.org/W2011134011","https://openalex.org/W2015009898","https://openalex.org/W2015225761","https://openalex.org/W2027661115","https://openalex.org/W2031558162","https://openalex.org/W2036396946","https://openalex.org/W2037101878","https://openalex.org/W2038858383","https://openalex.org/W2039602745","https://openalex.org/W2048456395","https://openalex.org/W2063469738","https://openalex.org/W2063891236","https://openalex.org/W2068353738","https://openalex.org/W2072989557","https://openalex.org/W2080483541","https://openalex.org/W2087677009","https://openalex.org/W2126131661","https://openalex.org/W2129290475","https://openalex.org/W2131814312","https://openalex.org/W2132378499","https://openalex.org/W2133537919","https://openalex.org/W2160367164","https://openalex.org/W2168728301","https://openalex.org/W2170757190","https://openalex.org/W2312875904","https://openalex.org/W2315888241","https://openalex.org/W2318818816","https://openalex.org/W2329585482"],"related_works":["https://openalex.org/W2168728301","https://openalex.org/W2321786978","https://openalex.org/W2004600568","https://openalex.org/W4367296756","https://openalex.org/W2901298644","https://openalex.org/W1860246576","https://openalex.org/W2066036545","https://openalex.org/W2762017851","https://openalex.org/W2784325101","https://openalex.org/W1980478891"],"abstract_inverted_index":{"A":[0],"novel":[1],"pharmaceutical":[2,89,113],"cocrystal":[3,28],"(THPAH12)":[4],"of":[5,20,26,67,70,77,81],"Theophylline":[6],"(THP)":[7],"was":[8],"obtained":[9],"with":[10,97],"an":[11],"artificial":[12],"sweetener,":[13],"Acesulfame":[14],"(AH),":[15],"in":[16],"a":[17],"molar":[18],"ratio":[19],"1:2.":[21],"Solid":[22],"state":[23],"NMR":[24],"spectra":[25],"the":[27,31,46,52,61,74,78,92],"indicate":[29],"that":[30,63],"two":[32],"AH":[33,56,82],"molecules":[34],"exist":[35],"as":[36],"keto":[37,54,79],"and":[38,104],"enol":[39,68],"tautomers,":[40],"which":[41,107],"is":[42,51],"further":[43,112],"confirmed":[44],"by":[45],"refined":[47],"crystal":[48],"structure.":[49],"THPAH12":[50,100],"first":[53],"form":[55,69,80],"containing":[57],"cocrystal.":[58],"This":[59],"highlights":[60],"fact":[62],"not":[64],"only":[65],"\u2212OH":[66],"AH,":[71],"but":[72],"also":[73],"\u2212NH\u2013C\u2550O":[75],"group":[76],"should":[83],"be":[84],"considered":[85],"when":[86],"designing":[87],"new":[88],"cocrystals":[90],"via":[91],"supramolecular":[93],"synthon":[94],"approach.":[95],"Compared":[96],"pure":[98],"THP,":[99],"possesses":[101],"enhanced":[102],"solubility":[103],"hydration":[105],"stability,":[106],"highlight":[108],"its":[109],"potential":[110],"for":[111],"applications.":[114]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":3},{"year":2022,"cited_by_count":2},{"year":2021,"cited_by_count":6},{"year":2020,"cited_by_count":6},{"year":2019,"cited_by_count":2},{"year":2018,"cited_by_count":12},{"year":2017,"cited_by_count":2},{"year":2016,"cited_by_count":8},{"year":2015,"cited_by_count":1}],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2016-07-22T00:00:00"}