Quantification of a cocrystal and its dissociated compounds in solid dosage form using transmission Raman spectroscopy
•In this study, the contents of the CBZ/SUC cocrystal, CBZ, and SUC in model tablets were quantified using PLS.•The performance of the cocrystal model was superior when spectra preprocessed by MSC were used for calibration.•The quantitation limits of CBZ/SUC cocrystal and CBZ calibration curve were...
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container_title | Journal of pharmaceutical and biomedical analysis |
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creator | Koide, Tatsuo Takeuchi, Yuki Otaki, Takashi Yamamoto, Katsuhiko Shimamura, Rie Ohashi, Ryo Inoue, Motoki Fukami, Toshiro Izutsu, Ken-ichi |
description | •In this study, the contents of the CBZ/SUC cocrystal, CBZ, and SUC in model tablets were quantified using PLS.•The performance of the cocrystal model was superior when spectra preprocessed by MSC were used for calibration.•The quantitation limits of CBZ/SUC cocrystal and CBZ calibration curve were approximately 6% and 2.5%, respectively.•TRS is useful for quantifying the content of the cocrystal and its dissociation in solid dosage forms.
The performance of transmission Raman spectroscopy (TRS) for quantifying a cocrystal and its dissociation in solid dosage form was investigated. Some tablets containing 0%–20% (w/w) of a cocrystal of carbamazepine (CBZ)/succinic acid (SUC), 0%–4% of CBZ, 0%–4% of SUC, and 75%–99% of D-mannitol were prepared. The Raman spectra of these tablets were preprocessed using the standard normal variate (SNV) or multiplicative scatter correction (MSC) as well as the Savitzky Golay second derivative, and then, these were used to generate calibration models using partial least squares (PLS) regression. The performance of the model was superior when the MSC preprocessing spectra of the cocrystal between 200 and 1800 cm−1 were used for calibration. The determination coefficient of the PLS calibration curve for the CBZ/SUC cocrystal between 200 and 1800 cm−1 with MSC was 0.97, root mean square error of cross validation (RMSECV) was 1.16, and root mean square error of prediction (RMSEP) was 1.10. As in the case of the CBZ/SUC cocrystal, the performance of the model was superior when the MSC preprocessing spectra of CBZ and SUC between 200 and 1800 cm−1 were used for calibration. These data suggest that TRS is useful for quantifying a cocrystal and its dissociation compounds in solid dosage forms. |
doi_str_mv | 10.1016/j.jpba.2019.112886 |
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The performance of transmission Raman spectroscopy (TRS) for quantifying a cocrystal and its dissociation in solid dosage form was investigated. Some tablets containing 0%–20% (w/w) of a cocrystal of carbamazepine (CBZ)/succinic acid (SUC), 0%–4% of CBZ, 0%–4% of SUC, and 75%–99% of D-mannitol were prepared. The Raman spectra of these tablets were preprocessed using the standard normal variate (SNV) or multiplicative scatter correction (MSC) as well as the Savitzky Golay second derivative, and then, these were used to generate calibration models using partial least squares (PLS) regression. The performance of the model was superior when the MSC preprocessing spectra of the cocrystal between 200 and 1800 cm−1 were used for calibration. The determination coefficient of the PLS calibration curve for the CBZ/SUC cocrystal between 200 and 1800 cm−1 with MSC was 0.97, root mean square error of cross validation (RMSECV) was 1.16, and root mean square error of prediction (RMSEP) was 1.10. As in the case of the CBZ/SUC cocrystal, the performance of the model was superior when the MSC preprocessing spectra of CBZ and SUC between 200 and 1800 cm−1 were used for calibration. These data suggest that TRS is useful for quantifying a cocrystal and its dissociation compounds in solid dosage forms.</description><identifier>ISSN: 0731-7085</identifier><identifier>EISSN: 1873-264X</identifier><identifier>DOI: 10.1016/j.jpba.2019.112886</identifier><identifier>PMID: 31563757</identifier><language>eng</language><publisher>England: Elsevier B.V</publisher><subject>Biological Availability ; Calibration ; Carbamazepine - chemistry ; Carbamazepine - pharmacokinetics ; Chemistry, Pharmaceutical - methods ; Cocrystal ; Crystallization ; Drug Compounding - methods ; Feasibility Studies ; Least-Squares Analysis ; Quantification ; Spectrum Analysis, Raman - methods ; Succinic Acid - chemistry ; Succinic Acid - pharmacokinetics ; Tablets ; Transmission Raman spectroscopy</subject><ispartof>Journal of pharmaceutical and biomedical analysis, 2020-01, Vol.177, p.112886-112886, Article 112886</ispartof><rights>2019 Elsevier B.V.</rights><rights>Copyright © 2019 Elsevier B.V. All rights reserved.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c422t-adbd0e959004f8ec8f61dd9c1a8cbf8d6837b4c781513ec73d2998e0c62ed1833</citedby><cites>FETCH-LOGICAL-c422t-adbd0e959004f8ec8f61dd9c1a8cbf8d6837b4c781513ec73d2998e0c62ed1833</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://dx.doi.org/10.1016/j.jpba.2019.112886$$EHTML$$P50$$Gelsevier$$H</linktohtml><link.rule.ids>314,780,784,3548,27923,27924,45994</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/31563757$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Koide, Tatsuo</creatorcontrib><creatorcontrib>Takeuchi, Yuki</creatorcontrib><creatorcontrib>Otaki, Takashi</creatorcontrib><creatorcontrib>Yamamoto, Katsuhiko</creatorcontrib><creatorcontrib>Shimamura, Rie</creatorcontrib><creatorcontrib>Ohashi, Ryo</creatorcontrib><creatorcontrib>Inoue, Motoki</creatorcontrib><creatorcontrib>Fukami, Toshiro</creatorcontrib><creatorcontrib>Izutsu, Ken-ichi</creatorcontrib><title>Quantification of a cocrystal and its dissociated compounds in solid dosage form using transmission Raman spectroscopy</title><title>Journal of pharmaceutical and biomedical analysis</title><addtitle>J Pharm Biomed Anal</addtitle><description>•In this study, the contents of the CBZ/SUC cocrystal, CBZ, and SUC in model tablets were quantified using PLS.•The performance of the cocrystal model was superior when spectra preprocessed by MSC were used for calibration.•The quantitation limits of CBZ/SUC cocrystal and CBZ calibration curve were approximately 6% and 2.5%, respectively.•TRS is useful for quantifying the content of the cocrystal and its dissociation in solid dosage forms.
The performance of transmission Raman spectroscopy (TRS) for quantifying a cocrystal and its dissociation in solid dosage form was investigated. Some tablets containing 0%–20% (w/w) of a cocrystal of carbamazepine (CBZ)/succinic acid (SUC), 0%–4% of CBZ, 0%–4% of SUC, and 75%–99% of D-mannitol were prepared. The Raman spectra of these tablets were preprocessed using the standard normal variate (SNV) or multiplicative scatter correction (MSC) as well as the Savitzky Golay second derivative, and then, these were used to generate calibration models using partial least squares (PLS) regression. The performance of the model was superior when the MSC preprocessing spectra of the cocrystal between 200 and 1800 cm−1 were used for calibration. The determination coefficient of the PLS calibration curve for the CBZ/SUC cocrystal between 200 and 1800 cm−1 with MSC was 0.97, root mean square error of cross validation (RMSECV) was 1.16, and root mean square error of prediction (RMSEP) was 1.10. As in the case of the CBZ/SUC cocrystal, the performance of the model was superior when the MSC preprocessing spectra of CBZ and SUC between 200 and 1800 cm−1 were used for calibration. These data suggest that TRS is useful for quantifying a cocrystal and its dissociation compounds in solid dosage forms.</description><subject>Biological Availability</subject><subject>Calibration</subject><subject>Carbamazepine - chemistry</subject><subject>Carbamazepine - pharmacokinetics</subject><subject>Chemistry, Pharmaceutical - methods</subject><subject>Cocrystal</subject><subject>Crystallization</subject><subject>Drug Compounding - methods</subject><subject>Feasibility Studies</subject><subject>Least-Squares Analysis</subject><subject>Quantification</subject><subject>Spectrum Analysis, Raman - methods</subject><subject>Succinic Acid - chemistry</subject><subject>Succinic Acid - pharmacokinetics</subject><subject>Tablets</subject><subject>Transmission Raman spectroscopy</subject><issn>0731-7085</issn><issn>1873-264X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2020</creationdate><recordtype>article</recordtype><sourceid>EIF</sourceid><recordid>eNp9kEtr3TAQRkVJaW7T_oEugpbZ-FYPP2TIJoT0AYHS0kJ3QpbGQRdbcjRy4P77ytw0y6xmMef7mDmEfOJszxlvPx_2h2Uwe8F4v-dcKNW-ITuuOlmJtv57Rnask7zqmGrOyXvEA2Os4X39jpxL3rSya7odefq5mpD96K3JPgYaR2qojTYdMZuJmuCoz0idR4zWmwyubOclrsEh9YFinLyjLqJ5ADrGNNMVfXigOZmAc0ltpb_MbAq6gM0poo3L8QN5O5oJ4ePzvCB_vtz9vv1W3f_4-v325r6ytRC5Mm5wDPqmZ6weFVg1tty53nKj7DAq1yrZDbXtFG-4BNtJJ_peAbOtAMeVlBfk6tS7pPi4AmZdbrIwTSZAXFGLwte1kv2GihNqy42YYNRL8rNJR82Z3nzrg9586823Pvkuocvn_nWYwb1E_gsuwPUJgPLlk4ek0XoIFpxPRYd20b_W_w_SsJRP</recordid><startdate>20200105</startdate><enddate>20200105</enddate><creator>Koide, Tatsuo</creator><creator>Takeuchi, Yuki</creator><creator>Otaki, Takashi</creator><creator>Yamamoto, Katsuhiko</creator><creator>Shimamura, Rie</creator><creator>Ohashi, Ryo</creator><creator>Inoue, Motoki</creator><creator>Fukami, Toshiro</creator><creator>Izutsu, Ken-ichi</creator><general>Elsevier B.V</general><scope>CGR</scope><scope>CUY</scope><scope>CVF</scope><scope>ECM</scope><scope>EIF</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7X8</scope></search><sort><creationdate>20200105</creationdate><title>Quantification of a cocrystal and its dissociated compounds in solid dosage form using transmission Raman spectroscopy</title><author>Koide, Tatsuo ; Takeuchi, Yuki ; Otaki, Takashi ; Yamamoto, Katsuhiko ; Shimamura, Rie ; Ohashi, Ryo ; Inoue, Motoki ; Fukami, Toshiro ; Izutsu, Ken-ichi</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c422t-adbd0e959004f8ec8f61dd9c1a8cbf8d6837b4c781513ec73d2998e0c62ed1833</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2020</creationdate><topic>Biological Availability</topic><topic>Calibration</topic><topic>Carbamazepine - chemistry</topic><topic>Carbamazepine - pharmacokinetics</topic><topic>Chemistry, Pharmaceutical - methods</topic><topic>Cocrystal</topic><topic>Crystallization</topic><topic>Drug Compounding - methods</topic><topic>Feasibility Studies</topic><topic>Least-Squares Analysis</topic><topic>Quantification</topic><topic>Spectrum Analysis, Raman - methods</topic><topic>Succinic Acid - chemistry</topic><topic>Succinic Acid - pharmacokinetics</topic><topic>Tablets</topic><topic>Transmission Raman spectroscopy</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Koide, Tatsuo</creatorcontrib><creatorcontrib>Takeuchi, Yuki</creatorcontrib><creatorcontrib>Otaki, Takashi</creatorcontrib><creatorcontrib>Yamamoto, Katsuhiko</creatorcontrib><creatorcontrib>Shimamura, Rie</creatorcontrib><creatorcontrib>Ohashi, Ryo</creatorcontrib><creatorcontrib>Inoue, Motoki</creatorcontrib><creatorcontrib>Fukami, Toshiro</creatorcontrib><creatorcontrib>Izutsu, Ken-ichi</creatorcontrib><collection>Medline</collection><collection>MEDLINE</collection><collection>MEDLINE (Ovid)</collection><collection>MEDLINE</collection><collection>MEDLINE</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><jtitle>Journal of pharmaceutical and biomedical analysis</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Koide, Tatsuo</au><au>Takeuchi, Yuki</au><au>Otaki, Takashi</au><au>Yamamoto, Katsuhiko</au><au>Shimamura, Rie</au><au>Ohashi, Ryo</au><au>Inoue, Motoki</au><au>Fukami, Toshiro</au><au>Izutsu, Ken-ichi</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Quantification of a cocrystal and its dissociated compounds in solid dosage form using transmission Raman spectroscopy</atitle><jtitle>Journal of pharmaceutical and biomedical analysis</jtitle><addtitle>J Pharm Biomed Anal</addtitle><date>2020-01-05</date><risdate>2020</risdate><volume>177</volume><spage>112886</spage><epage>112886</epage><pages>112886-112886</pages><artnum>112886</artnum><issn>0731-7085</issn><eissn>1873-264X</eissn><abstract>•In this study, the contents of the CBZ/SUC cocrystal, CBZ, and SUC in model tablets were quantified using PLS.•The performance of the cocrystal model was superior when spectra preprocessed by MSC were used for calibration.•The quantitation limits of CBZ/SUC cocrystal and CBZ calibration curve were approximately 6% and 2.5%, respectively.•TRS is useful for quantifying the content of the cocrystal and its dissociation in solid dosage forms.
The performance of transmission Raman spectroscopy (TRS) for quantifying a cocrystal and its dissociation in solid dosage form was investigated. Some tablets containing 0%–20% (w/w) of a cocrystal of carbamazepine (CBZ)/succinic acid (SUC), 0%–4% of CBZ, 0%–4% of SUC, and 75%–99% of D-mannitol were prepared. The Raman spectra of these tablets were preprocessed using the standard normal variate (SNV) or multiplicative scatter correction (MSC) as well as the Savitzky Golay second derivative, and then, these were used to generate calibration models using partial least squares (PLS) regression. The performance of the model was superior when the MSC preprocessing spectra of the cocrystal between 200 and 1800 cm−1 were used for calibration. The determination coefficient of the PLS calibration curve for the CBZ/SUC cocrystal between 200 and 1800 cm−1 with MSC was 0.97, root mean square error of cross validation (RMSECV) was 1.16, and root mean square error of prediction (RMSEP) was 1.10. As in the case of the CBZ/SUC cocrystal, the performance of the model was superior when the MSC preprocessing spectra of CBZ and SUC between 200 and 1800 cm−1 were used for calibration. These data suggest that TRS is useful for quantifying a cocrystal and its dissociation compounds in solid dosage forms.</abstract><cop>England</cop><pub>Elsevier B.V</pub><pmid>31563757</pmid><doi>10.1016/j.jpba.2019.112886</doi><tpages>1</tpages></addata></record> |
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subjects | Biological Availability Calibration Carbamazepine - chemistry Carbamazepine - pharmacokinetics Chemistry, Pharmaceutical - methods Cocrystal Crystallization Drug Compounding - methods Feasibility Studies Least-Squares Analysis Quantification Spectrum Analysis, Raman - methods Succinic Acid - chemistry Succinic Acid - pharmacokinetics Tablets Transmission Raman spectroscopy |
title | Quantification of a cocrystal and its dissociated compounds in solid dosage form using transmission Raman spectroscopy |
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