Direct derivation of the crystalline fraction of highly potent active pharmaceutical ingredients by X-ray powder diffraction
Direct derivation (DD) is a novel Powder X-ray diffraction quantification method based on intensity–composition equation, which can determine the weight fraction of individual phases in a mixture of components by chemical formulas . The DD method was applied to determine crystallinity degree of bina...
Gespeichert in:
| Veröffentlicht in: | European journal of pharmaceutical sciences 2021-04, Vol.159, p.105692-105692, Article 105692 |
|---|---|
| Hauptverfasser: | , , , , |
| Format: | Artikel |
| Sprache: | eng |
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| container_end_page | 105692 |
|---|---|
| container_issue | |
| container_start_page | 105692 |
| container_title | European journal of pharmaceutical sciences |
| container_volume | 159 |
| creator | Dall'Olio, Laura Spinozzi, Silvia Curzi, Marco Modena, Enrico Maini, Lucia |
| description | Direct derivation (DD) is a novel Powder X-ray diffraction quantification method based on intensity–composition equation, which can determine the weight fraction of individual phases in a mixture of components by chemical formulas . The DD method was applied to determine crystallinity degree of binary mixtures containing amorphous hydroxypropyl methylcellulose and crystalline monohydrate α-lactose in weight percentage ≤ 15% w/w. Three different scenarios were considered: a) the unit cell parameters of the crystalline phases are available b) the unit cell parameters are unknown but the patterns of pure crystalline and amorphous references are available and c) only the mixtures’ patterns are available. Relative errors in scenarios a and b were comparable and reasonable ( |
| doi_str_mv | 10.1016/j.ejps.2020.105692 |
| format | Article |
| fullrecord | <record><control><sourceid>proquest_cross</sourceid><recordid>TN_cdi_proquest_miscellaneous_2473897044</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><els_id>S0928098720304826</els_id><sourcerecordid>2473897044</sourcerecordid><originalsourceid>FETCH-LOGICAL-c307t-74c1a4d0511b9ef3c53bb1aa9ab5264b6ba168329545d9f09a7b06119b86b9063</originalsourceid><addsrcrecordid>eNp9kE1r3DAQhkVoSDYffyCHomMv3o4kW7Igl5CkTSHQSwq5CUkeZ7V4bVfSblnIj6_NZnvsSTB63neYh5AbBksGTH5dL3E9piUHPg8qqfkJWbBa6QIUh09kAZrXBehanZOLlNYAIGsFZ-RcCKGEKuWCvD-EiD7TBmPY2RyGng4tzSukPu5Ttl0XeqRttP74twpvq25PxyFjn-k83yEdVzZurMdtDt52NPRvEZswAYm6PX0top0Tf6YttAntse6KnLa2S3j98V6SX98eX-6fiuef33_c3z0XXoDKhSo9s2UDFWNOYyt8JZxj1mrrKi5LJ51lshZcV2XV6Ba0VQ4kY9rV0mmQ4pJ8OfSOcfi9xZTNJiSPXWd7HLbJ8FKJWisoywnlB9THIaWIrRlj2Ni4NwzMbN2szWzdzNbNwfoU-vzRv3UbbP5Fjpon4PYA4HTlLmA0yU92_ORotm-aIfyv_y_B4JV1</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>2473897044</pqid></control><display><type>article</type><title>Direct derivation of the crystalline fraction of highly potent active pharmaceutical ingredients by X-ray powder diffraction</title><source>Elsevier ScienceDirect Journals</source><creator>Dall'Olio, Laura ; Spinozzi, Silvia ; Curzi, Marco ; Modena, Enrico ; Maini, Lucia</creator><creatorcontrib>Dall'Olio, Laura ; Spinozzi, Silvia ; Curzi, Marco ; Modena, Enrico ; Maini, Lucia</creatorcontrib><description>Direct derivation (DD) is a novel Powder X-ray diffraction quantification method based on intensity–composition equation, which can determine the weight fraction of individual phases in a mixture of components by chemical formulas . The DD method was applied to determine crystallinity degree of binary mixtures containing amorphous hydroxypropyl methylcellulose and crystalline monohydrate α-lactose in weight percentage ≤ 15% w/w. Three different scenarios were considered: a) the unit cell parameters of the crystalline phases are available b) the unit cell parameters are unknown but the patterns of pure crystalline and amorphous references are available and c) only the mixtures’ patterns are available. Relative errors in scenarios a and b were comparable and reasonable (<20%), while in c, the crystalline degree was clearly underestimated evidencing the importance of determining the maximum number of crystalline reflections This can be easily achieved when the unit cell parameters and/or the patterns of pure references are available. To simulate the quantification of high potent API, the method was evaluated considering the scenario b, in samples covered by Kapton® film as containment system. In this case, an accurate quantification was achieved by subtracting the film signal from the observed pattern.
[Display omitted]</description><identifier>ISSN: 0928-0987</identifier><identifier>EISSN: 1879-0720</identifier><identifier>DOI: 10.1016/j.ejps.2020.105692</identifier><identifier>PMID: 33373746</identifier><language>eng</language><publisher>Netherlands: Elsevier B.V</publisher><subject>crystallinity ; direct derivation ; Intensity–composition formula ; Kapton ; Powder X-ray diffraction</subject><ispartof>European journal of pharmaceutical sciences, 2021-04, Vol.159, p.105692-105692, Article 105692</ispartof><rights>2020</rights><rights>Copyright © 2020. Published by Elsevier B.V.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><cites>FETCH-LOGICAL-c307t-74c1a4d0511b9ef3c53bb1aa9ab5264b6ba168329545d9f09a7b06119b86b9063</cites><orcidid>0000-0001-6107-1150 ; 0000-0002-0703-2617 ; 0000-0002-8531-1937</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://www.sciencedirect.com/science/article/pii/S0928098720304826$$EHTML$$P50$$Gelsevier$$H</linktohtml><link.rule.ids>314,776,780,3537,27901,27902,65306</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/33373746$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Dall'Olio, Laura</creatorcontrib><creatorcontrib>Spinozzi, Silvia</creatorcontrib><creatorcontrib>Curzi, Marco</creatorcontrib><creatorcontrib>Modena, Enrico</creatorcontrib><creatorcontrib>Maini, Lucia</creatorcontrib><title>Direct derivation of the crystalline fraction of highly potent active pharmaceutical ingredients by X-ray powder diffraction</title><title>European journal of pharmaceutical sciences</title><addtitle>Eur J Pharm Sci</addtitle><description>Direct derivation (DD) is a novel Powder X-ray diffraction quantification method based on intensity–composition equation, which can determine the weight fraction of individual phases in a mixture of components by chemical formulas . The DD method was applied to determine crystallinity degree of binary mixtures containing amorphous hydroxypropyl methylcellulose and crystalline monohydrate α-lactose in weight percentage ≤ 15% w/w. Three different scenarios were considered: a) the unit cell parameters of the crystalline phases are available b) the unit cell parameters are unknown but the patterns of pure crystalline and amorphous references are available and c) only the mixtures’ patterns are available. Relative errors in scenarios a and b were comparable and reasonable (<20%), while in c, the crystalline degree was clearly underestimated evidencing the importance of determining the maximum number of crystalline reflections This can be easily achieved when the unit cell parameters and/or the patterns of pure references are available. To simulate the quantification of high potent API, the method was evaluated considering the scenario b, in samples covered by Kapton® film as containment system. In this case, an accurate quantification was achieved by subtracting the film signal from the observed pattern.
[Display omitted]</description><subject>crystallinity</subject><subject>direct derivation</subject><subject>Intensity–composition formula</subject><subject>Kapton</subject><subject>Powder X-ray diffraction</subject><issn>0928-0987</issn><issn>1879-0720</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2021</creationdate><recordtype>article</recordtype><recordid>eNp9kE1r3DAQhkVoSDYffyCHomMv3o4kW7Igl5CkTSHQSwq5CUkeZ7V4bVfSblnIj6_NZnvsSTB63neYh5AbBksGTH5dL3E9piUHPg8qqfkJWbBa6QIUh09kAZrXBehanZOLlNYAIGsFZ-RcCKGEKuWCvD-EiD7TBmPY2RyGng4tzSukPu5Ttl0XeqRttP74twpvq25PxyFjn-k83yEdVzZurMdtDt52NPRvEZswAYm6PX0top0Tf6YttAntse6KnLa2S3j98V6SX98eX-6fiuef33_c3z0XXoDKhSo9s2UDFWNOYyt8JZxj1mrrKi5LJ51lshZcV2XV6Ba0VQ4kY9rV0mmQ4pJ8OfSOcfi9xZTNJiSPXWd7HLbJ8FKJWisoywnlB9THIaWIrRlj2Ni4NwzMbN2szWzdzNbNwfoU-vzRv3UbbP5Fjpon4PYA4HTlLmA0yU92_ORotm-aIfyv_y_B4JV1</recordid><startdate>20210401</startdate><enddate>20210401</enddate><creator>Dall'Olio, Laura</creator><creator>Spinozzi, Silvia</creator><creator>Curzi, Marco</creator><creator>Modena, Enrico</creator><creator>Maini, Lucia</creator><general>Elsevier B.V</general><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7X8</scope><orcidid>https://orcid.org/0000-0001-6107-1150</orcidid><orcidid>https://orcid.org/0000-0002-0703-2617</orcidid><orcidid>https://orcid.org/0000-0002-8531-1937</orcidid></search><sort><creationdate>20210401</creationdate><title>Direct derivation of the crystalline fraction of highly potent active pharmaceutical ingredients by X-ray powder diffraction</title><author>Dall'Olio, Laura ; Spinozzi, Silvia ; Curzi, Marco ; Modena, Enrico ; Maini, Lucia</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c307t-74c1a4d0511b9ef3c53bb1aa9ab5264b6ba168329545d9f09a7b06119b86b9063</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2021</creationdate><topic>crystallinity</topic><topic>direct derivation</topic><topic>Intensity–composition formula</topic><topic>Kapton</topic><topic>Powder X-ray diffraction</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Dall'Olio, Laura</creatorcontrib><creatorcontrib>Spinozzi, Silvia</creatorcontrib><creatorcontrib>Curzi, Marco</creatorcontrib><creatorcontrib>Modena, Enrico</creatorcontrib><creatorcontrib>Maini, Lucia</creatorcontrib><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><jtitle>European journal of pharmaceutical sciences</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Dall'Olio, Laura</au><au>Spinozzi, Silvia</au><au>Curzi, Marco</au><au>Modena, Enrico</au><au>Maini, Lucia</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Direct derivation of the crystalline fraction of highly potent active pharmaceutical ingredients by X-ray powder diffraction</atitle><jtitle>European journal of pharmaceutical sciences</jtitle><addtitle>Eur J Pharm Sci</addtitle><date>2021-04-01</date><risdate>2021</risdate><volume>159</volume><spage>105692</spage><epage>105692</epage><pages>105692-105692</pages><artnum>105692</artnum><issn>0928-0987</issn><eissn>1879-0720</eissn><abstract>Direct derivation (DD) is a novel Powder X-ray diffraction quantification method based on intensity–composition equation, which can determine the weight fraction of individual phases in a mixture of components by chemical formulas . The DD method was applied to determine crystallinity degree of binary mixtures containing amorphous hydroxypropyl methylcellulose and crystalline monohydrate α-lactose in weight percentage ≤ 15% w/w. Three different scenarios were considered: a) the unit cell parameters of the crystalline phases are available b) the unit cell parameters are unknown but the patterns of pure crystalline and amorphous references are available and c) only the mixtures’ patterns are available. Relative errors in scenarios a and b were comparable and reasonable (<20%), while in c, the crystalline degree was clearly underestimated evidencing the importance of determining the maximum number of crystalline reflections This can be easily achieved when the unit cell parameters and/or the patterns of pure references are available. To simulate the quantification of high potent API, the method was evaluated considering the scenario b, in samples covered by Kapton® film as containment system. In this case, an accurate quantification was achieved by subtracting the film signal from the observed pattern.
[Display omitted]</abstract><cop>Netherlands</cop><pub>Elsevier B.V</pub><pmid>33373746</pmid><doi>10.1016/j.ejps.2020.105692</doi><tpages>1</tpages><orcidid>https://orcid.org/0000-0001-6107-1150</orcidid><orcidid>https://orcid.org/0000-0002-0703-2617</orcidid><orcidid>https://orcid.org/0000-0002-8531-1937</orcidid></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 0928-0987 |
| ispartof | European journal of pharmaceutical sciences, 2021-04, Vol.159, p.105692-105692, Article 105692 |
| issn | 0928-0987 1879-0720 |
| language | eng |
| recordid | cdi_proquest_miscellaneous_2473897044 |
| source | Elsevier ScienceDirect Journals |
| subjects | crystallinity direct derivation Intensity–composition formula Kapton Powder X-ray diffraction |
| title | Direct derivation of the crystalline fraction of highly potent active pharmaceutical ingredients by X-ray powder diffraction |
| url | https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-01-29T20%3A21%3A14IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest_cross&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Direct%20derivation%20of%20the%20crystalline%20fraction%20of%20highly%20potent%20active%20pharmaceutical%20ingredients%20by%20X-ray%20powder%20diffraction&rft.jtitle=European%20journal%20of%20pharmaceutical%20sciences&rft.au=Dall'Olio,%20Laura&rft.date=2021-04-01&rft.volume=159&rft.spage=105692&rft.epage=105692&rft.pages=105692-105692&rft.artnum=105692&rft.issn=0928-0987&rft.eissn=1879-0720&rft_id=info:doi/10.1016/j.ejps.2020.105692&rft_dat=%3Cproquest_cross%3E2473897044%3C/proquest_cross%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_pqid=2473897044&rft_id=info:pmid/33373746&rft_els_id=S0928098720304826&rfr_iscdi=true |