{"id":"https://openalex.org/W2016973928","doi":"https://doi.org/10.1039/c0ay00376j","title":"NIR diffuse reflectance for on-scale monitoring of the polymorphic form transformation of pazopanib hydrochloride (GW786034); model development and method transfer","display_name":"NIR diffuse reflectance for on-scale monitoring of the polymorphic form transformation of pazopanib hydrochloride (GW786034); model development and method transfer","publication_year":2010,"publication_date":"2010-01-01","ids":{"openalex":"https://openalex.org/W2016973928","doi":"https://doi.org/10.1039/c0ay00376j","mag":"2016973928"},"language":"en","primary_location":{"id":"doi:10.1039/c0ay00376j","doi":"https://doi.org/10.1039/c0ay00376j","is_oa":false,"landing_page_url":"https://doi.org/10.1039/c0ay00376j","pdf_url":null,"source":{"id":"https://openalex.org/S170358085","display_name":"Analytical Methods","issn_l":"1759-9660","issn":["1759-9660","1759-9679"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-c","doyens","jufo-1","ki-jl-1","medline","norway-1","poland-70","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320556","host_organization_name":"Royal Society of Chemistry","host_organization_lineage":["https://openalex.org/P4310320556"],"host_organization_lineage_names":["Royal Society of Chemistry"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Analytical Methods","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/A5051673620","display_name":"Susan E. Barnes","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210114143","display_name":"GlaxoSmithKline (United States)","ror":"https://ror.org/025vn3989","country_code":"US","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210114143"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Susan E. Barnes","raw_affiliation_strings":["Chemical Development, GlaxoSmithKline, 5 Moore Drive, Research Triangle Park, NC, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemical Development, GlaxoSmithKline, 5 Moore Drive, Research Triangle Park, NC, USA","institution_ids":["https://openalex.org/I4210114143"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5082375207","display_name":"Thomas Thurston","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I188950975","display_name":"GlaxoSmithKline (United Kingdom)","ror":"https://ror.org/01xsqw823","country_code":"GB","type":"company","lineage":["https://openalex.org/I188950975"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Thomas Thurston","raw_affiliation_strings":["Chemical Development, GlaxoSmithKline, Old Powder Mills, Leigh, Tonbridge, Kent, UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemical Development, GlaxoSmithKline, Old Powder Mills, Leigh, Tonbridge, Kent, UK","institution_ids":["https://openalex.org/I188950975"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5104068005","display_name":"Jo Ann Coleman","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210114143","display_name":"GlaxoSmithKline (United States)","ror":"https://ror.org/025vn3989","country_code":"US","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210114143"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Jo Ann Coleman","raw_affiliation_strings":["Statistical Sciences, GlaxoSmithKline, 2301 Renaissance Blvd, King of Prussia, PA, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Statistical Sciences, GlaxoSmithKline, 2301 Renaissance Blvd, King of Prussia, PA, USA","institution_ids":["https://openalex.org/I4210114143"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5042912248","display_name":"Ann M. Diederich","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210114143","display_name":"GlaxoSmithKline (United States)","ror":"https://ror.org/025vn3989","country_code":"US","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210114143"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Ann Diederich","raw_affiliation_strings":["Chemical Development, GlaxoSmithKline, 5 Moore Drive, Research Triangle Park, NC, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemical Development, GlaxoSmithKline, 5 Moore Drive, Research Triangle Park, NC, USA","institution_ids":["https://openalex.org/I4210114143"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5072937085","display_name":"Darryl Ertl","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210114143","display_name":"GlaxoSmithKline (United States)","ror":"https://ror.org/025vn3989","country_code":"US","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210114143"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Darryl Ertl","raw_affiliation_strings":["Chemical Development, GlaxoSmithKline, 5 Moore Drive, Research Triangle Park, NC, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemical Development, GlaxoSmithKline, 5 Moore Drive, Research Triangle Park, NC, USA","institution_ids":["https://openalex.org/I4210114143"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5079252954","display_name":"James W. Rydzak","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210114143","display_name":"GlaxoSmithKline (United States)","ror":"https://ror.org/025vn3989","country_code":"US","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210114143"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"James Rydzak","raw_affiliation_strings":["Chemical Development, GlaxoSmithKline, 709 Swedeland Road, King of Prussia, PA, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemical Development, GlaxoSmithKline, 709 Swedeland Road, King of Prussia, PA, USA","institution_ids":["https://openalex.org/I4210114143"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Patrick Ng","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Patrick Ng","raw_affiliation_strings":["Global manufacturing and Supply, GlaxoSmithKline, Jurong, Singapore"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Global manufacturing and Supply, GlaxoSmithKline, Jurong, Singapore","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5050534107","display_name":"Katherine A. Bakeev","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Katherine Bakeev","raw_affiliation_strings":["CAMO Software Inc., One Woodbridge Center, Suite 319, Woodbridge, NJ, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"CAMO Software Inc., One Woodbridge Center, Suite 319, Woodbridge, NJ, USA","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5042288846","display_name":"Dharmesh S. Bhanushali","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210114143","display_name":"GlaxoSmithKline (United States)","ror":"https://ror.org/025vn3989","country_code":"US","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210114143"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Dharmesh Bhanushali","raw_affiliation_strings":["Chemical Development, GlaxoSmithKline, 709 Swedeland Road, King of Prussia, PA, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemical Development, GlaxoSmithKline, 709 Swedeland Road, King of Prussia, PA, USA","institution_ids":["https://openalex.org/I4210114143"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5051673620"],"corresponding_institution_ids":["https://openalex.org/I4210114143"],"apc_list":null,"apc_paid":null,"fwci":0.215,"has_fulltext":false,"cited_by_count":12,"citation_normalized_percentile":{"value":0.55102222,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":96},"biblio":{"volume":"2","issue":"12","first_page":"1890","last_page":"1890"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10640","display_name":"Spectroscopy and Chemometric Analyses","score":0.9984999895095825,"subfield":{"id":"https://openalex.org/subfields/1602","display_name":"Analytical 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/T10640","display_name":"Spectroscopy and Chemometric Analyses","score":0.9984999895095825,"subfield":{"id":"https://openalex.org/subfields/1602","display_name":"Analytical 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/T11324","display_name":"Spectroscopy Techniques in Biomedical and Chemical Research","score":0.00019999999494757503,"subfield":{"id":"https://openalex.org/subfields/1304","display_name":"Biophysics"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T11881","display_name":"Crystallization and Solubility Studies","score":0.00019999999494757503,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/partial-least-squares-model","display_name":"partial least squares model","score":0.7760000228881836},{"id":"https://openalex.org/keywords/critical-quality-attributes","display_name":"critical quality attributes","score":0.7099999785423279},{"id":"https://openalex.org/keywords/online-process-monitoring","display_name":"real-time process monitoring","score":0.6959999799728394},{"id":"https://openalex.org/keywords/mahalanobis-distance","display_name":"Mahalanobis distance","score":0.9179999828338623},{"id":"https://openalex.org/keywords/spectral-residual","display_name":"spectral residual","score":0.8840000033378601},{"id":"https://openalex.org/keywords/active-pharmaceutical-ingredient-manufacturing","display_name":"active pharmaceutical ingredient manufacturing","score":0.6019999980926514}],"concepts":[{"id":"https://openalex.org/C1921717","wikidata":"https://www.wikidata.org/wiki/Q1334846","display_name":"Mahalanobis distance","level":2,"score":0.7287647128105164},{"id":"https://openalex.org/C156328458","wikidata":"https://www.wikidata.org/wiki/Q5275423","display_name":"Diffuse reflectance infrared fourier transform","level":4,"score":0.6520044803619385},{"id":"https://openalex.org/C187714232","wikidata":"https://www.wikidata.org/wiki/Q2745207","display_name":"Anhydrous","level":2,"score":0.5705063343048096},{"id":"https://openalex.org/C43571822","wikidata":"https://www.wikidata.org/wiki/Q599037","display_name":"Near-infrared spectroscopy","level":2,"score":0.5663188099861145},{"id":"https://openalex.org/C21880701","wikidata":"https://www.wikidata.org/wiki/Q2144042","display_name":"Process engineering","level":1,"score":0.5533061027526855},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5180942416191101},{"id":"https://openalex.org/C22354355","wikidata":"https://www.wikidata.org/wiki/Q422009","display_name":"Partial least squares regression","level":2,"score":0.4635113775730133},{"id":"https://openalex.org/C178144697","wikidata":"https://www.wikidata.org/wiki/Q2111609","display_name":"Process analytical technology","level":3,"score":0.46085020899772644},{"id":"https://openalex.org/C2778755073","wikidata":"https://www.wikidata.org/wiki/Q10858537","display_name":"Scale (ratio)","level":2,"score":0.4496685266494751},{"id":"https://openalex.org/C2777822432","wikidata":"https://www.wikidata.org/wiki/Q216681","display_name":"In situ","level":2,"score":0.433510422706604},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.3742665946483612},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.32873544096946716},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.2908632159233093},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.27641502022743225},{"id":"https://openalex.org/C120665830","wikidata":"https://www.wikidata.org/wiki/Q14620","display_name":"Optics","level":1,"score":0.13507655262947083},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.12294149398803711},{"id":"https://openalex.org/C42360764","wikidata":"https://www.wikidata.org/wiki/Q83588","display_name":"Chemical engineering","level":1,"score":0.12140125036239624},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.11689755320549011},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.0},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0},{"id":"https://openalex.org/C4916135","wikidata":"https://www.wikidata.org/wiki/Q4119055","display_name":"Bioprocess","level":2,"score":0.0},{"id":"https://openalex.org/C65165184","wikidata":"https://www.wikidata.org/wiki/Q218831","display_name":"Photocatalysis","level":3,"score":0.0},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1039/c0ay00376j","doi":"https://doi.org/10.1039/c0ay00376j","is_oa":false,"landing_page_url":"https://doi.org/10.1039/c0ay00376j","pdf_url":null,"source":{"id":"https://openalex.org/S170358085","display_name":"Analytical Methods","issn_l":"1759-9660","issn":["1759-9660","1759-9679"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-c","doyens","jufo-1","ki-jl-1","medline","norway-1","poland-70","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320556","host_organization_name":"Royal Society of Chemistry","host_organization_lineage":["https://openalex.org/P4310320556"],"host_organization_lineage_names":["Royal Society of Chemistry"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Analytical Methods","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":47,"referenced_works":["https://openalex.org/W1966214555","https://openalex.org/W1966608494","https://openalex.org/W1966748576","https://openalex.org/W1973350855","https://openalex.org/W1974202819","https://openalex.org/W1975691015","https://openalex.org/W1978857071","https://openalex.org/W1980439193","https://openalex.org/W1981880358","https://openalex.org/W1988608960","https://openalex.org/W1992540158","https://openalex.org/W1997047960","https://openalex.org/W2000623227","https://openalex.org/W2001054843","https://openalex.org/W2001735456","https://openalex.org/W2007808016","https://openalex.org/W2011590976","https://openalex.org/W2016090370","https://openalex.org/W2019849941","https://openalex.org/W2021917004","https://openalex.org/W2022110298","https://openalex.org/W2042074251","https://openalex.org/W2045147567","https://openalex.org/W2047707452","https://openalex.org/W2048993566","https://openalex.org/W2049631290","https://openalex.org/W2052916447","https://openalex.org/W2057995522","https://openalex.org/W2060704592","https://openalex.org/W2064124213","https://openalex.org/W2068882246","https://openalex.org/W2071527178","https://openalex.org/W2071853811","https://openalex.org/W2076350667","https://openalex.org/W2078924544","https://openalex.org/W2081432759","https://openalex.org/W2083480385","https://openalex.org/W2091669252","https://openalex.org/W2091769838","https://openalex.org/W2100458127","https://openalex.org/W2105669194","https://openalex.org/W2109606373","https://openalex.org/W2116570461","https://openalex.org/W2134861742","https://openalex.org/W2142574760","https://openalex.org/W2143367399","https://openalex.org/W2163848872"],"related_works":["https://openalex.org/W2889899430","https://openalex.org/W2052262681","https://openalex.org/W1542910727","https://openalex.org/W2096540251","https://openalex.org/W2024288115","https://openalex.org/W2071853811","https://openalex.org/W2022563855","https://openalex.org/W2010411027","https://openalex.org/W2037201132","https://openalex.org/W2010255075"],"abstract_inverted_index":{"We":[0],"report":[1],"the":[2,16,111,135,138,145,171,175],"successful":[3],"application":[4],"of":[5,15,22,43,144,152,177],"in":[6,45,58,68,149,170],"situ":[7,69],"diffuse":[8],"reflectance":[9],"near-infrared":[10],"(NIR)":[11],"spectroscopy":[12,48],"for":[13,33],"characterization":[14],"solvent":[17],"mediated":[18],"polymorphic":[19],"form":[20,26,141],"transformation":[21,146],"pazopanib":[23],"hydrochloride.":[24],"Crystal":[25],"is":[27],"a":[28,99],"critical":[29],"quality":[30],"attribute":[31],"(CQA)":[32],"this":[34,53],"active":[35],"pharmaceutical":[36],"ingredient":[37],"(API)":[38],"to":[39,51,71,107,124,165],"ensure":[40],"appropriate":[41],"levels":[42],"exposure":[44],"patients.":[46],"NIR":[47,90],"was":[49,87,105,116],"implemented":[50,118],"monitor":[52,125],"final":[54],"stage":[55],"unit":[56],"operation":[57],"real-time":[59],"on":[60,103,119],"manufacturing":[61,96,127],"scale.":[62],"This":[63],"technique":[64],"provided":[65,162],"an":[66,94,178],"automated":[67],"method":[70,131],"replace":[72],"labour":[73],"intensive":[74],"off-line":[75],"qualitative":[76],"testing":[77],"and":[78,98,109,122,137,159],"manual":[79],"sampling.":[80],"A":[81],"partial":[82],"least":[83],"squares":[84],"(PLS)":[85],"model":[86,112,115],"created":[88],"using":[89],"data":[91],"collected":[92],"during":[93,184],"early":[95],"campaign":[97],"novel":[100],"strategy":[101],"based":[102],"interval-PLS":[104],"used":[106,123],"select":[108],"optimize":[110],"parameters.":[113],"The":[114,129],"subsequently":[117],"plant":[120],"scale":[121],"clinical":[126],"campaigns.":[128],"PLS":[130,153],"clearly":[132],"differentiated":[133],"between":[134],"monohydrate":[136],"desired":[139],"anhydrous":[140],"allowing":[142],"determination":[143],"end":[147],"point":[148],"real-time.":[150],"Utilisation":[151],"diagnostics":[154],"such":[155],"as":[156],"Mahalanobis":[157],"distance":[158],"spectral":[160],"residuals":[161],"additional":[163],"capability":[164],"signal":[166],"any":[167],"unexpected":[168],"behaviour":[169],"process":[172,185],"and/or":[173],"indicate":[174],"presence":[176],"undesired":[179],"solvate":[180],"polymorph":[181],"also":[182],"seen":[183],"development.":[186]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"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":1},{"year":2016,"cited_by_count":2},{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":1},{"year":2012,"cited_by_count":1}],"updated_date":"2026-09-29T14:09:16.559479","created_date":"2016-06-24T00:00:00"}
