Direct determination of niflumic acid in a pharmaceutical gel by ATR/FTIR spectroscopy and PLS calibration
A simple, rapid and convenient analytical method without sample handling procedure is proposed for the determination of niflumic acid in a pharmaceutical gel with attenuated total reflectance/Fourier transform infrared spectroscopy (ATR/FTIR). A partial least square (PLS) calibration model for the p...
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Veröffentlicht in: | Journal of pharmaceutical and biomedical analysis 2006-02, Vol.40 (2), p.433-437 |
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creator | Boyer, C. Brégère, B. Crouchet, S. Gaudin, K. Dubost, J.P. |
description | A simple, rapid and convenient analytical method without sample handling procedure is proposed for the determination of niflumic acid in a pharmaceutical gel with attenuated total reflectance/Fourier transform infrared spectroscopy (ATR/FTIR). A partial least square (PLS) calibration model for the prediction of niflumic acid contents was developed using 81 and 27 spectra of standard gels as training and validation sets, respectively. The used spectral range of niflumic acid for the establishment of this model was 2300–1100
cm
−1. All spectra were obtained in the transmittance mode, then normalized and first derivative transformed. The model yielded a regression coefficient
R
2 equal to 1 for the training set and a root mean square error of prediction (RMSEP) equal to 0.2 for the validation set. The percentage recoveries of the method for the analysis of N
iflugel
® ranged from 96.60 to 101.02%. |
doi_str_mv | 10.1016/j.jpba.2005.07.018 |
format | Article |
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cm
−1. All spectra were obtained in the transmittance mode, then normalized and first derivative transformed. The model yielded a regression coefficient
R
2 equal to 1 for the training set and a root mean square error of prediction (RMSEP) equal to 0.2 for the validation set. The percentage recoveries of the method for the analysis of N
iflugel
® ranged from 96.60 to 101.02%.</description><identifier>ISSN: 0731-7085</identifier><identifier>EISSN: 1873-264X</identifier><identifier>DOI: 10.1016/j.jpba.2005.07.018</identifier><identifier>PMID: 16122895</identifier><identifier>CODEN: JPBADA</identifier><language>eng</language><publisher>Amsterdam: Elsevier B.V</publisher><subject>Analysis ; Analytical, structural and metabolic biochemistry ; Anti-Inflammatory Agents, Non-Steroidal - analysis ; Attenuated total reflectance ; Biological and medical sciences ; FTIR ; Fundamental and applied biological sciences. Psychology ; Gels ; General pharmacology ; Least-Squares Analysis ; Medical sciences ; Niflumic acid ; Niflumic Acid - analysis ; Partial least squares regression ; Pharmaceutical Preparations - chemistry ; Pharmaceuticals ; Pharmacology. Drug treatments ; Quality Control ; Reproducibility of Results ; Spectroscopy, Fourier Transform Infrared - methods</subject><ispartof>Journal of pharmaceutical and biomedical analysis, 2006-02, Vol.40 (2), p.433-437</ispartof><rights>2005 Elsevier B.V.</rights><rights>2006 INIST-CNRS</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c384t-971d7840660cd2cb4e65a3f8fcfa73e5cc79b72e96d3a1ff45a5040f61de088b3</citedby><cites>FETCH-LOGICAL-c384t-971d7840660cd2cb4e65a3f8fcfa73e5cc79b72e96d3a1ff45a5040f61de088b3</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.2005.07.018$$EHTML$$P50$$Gelsevier$$H</linktohtml><link.rule.ids>315,782,786,3554,27933,27934,46004</link.rule.ids><backlink>$$Uhttp://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&idt=17508165$$DView record in Pascal Francis$$Hfree_for_read</backlink><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/16122895$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Boyer, C.</creatorcontrib><creatorcontrib>Brégère, B.</creatorcontrib><creatorcontrib>Crouchet, S.</creatorcontrib><creatorcontrib>Gaudin, K.</creatorcontrib><creatorcontrib>Dubost, J.P.</creatorcontrib><title>Direct determination of niflumic acid in a pharmaceutical gel by ATR/FTIR spectroscopy and PLS calibration</title><title>Journal of pharmaceutical and biomedical analysis</title><addtitle>J Pharm Biomed Anal</addtitle><description>A simple, rapid and convenient analytical method without sample handling procedure is proposed for the determination of niflumic acid in a pharmaceutical gel with attenuated total reflectance/Fourier transform infrared spectroscopy (ATR/FTIR). A partial least square (PLS) calibration model for the prediction of niflumic acid contents was developed using 81 and 27 spectra of standard gels as training and validation sets, respectively. The used spectral range of niflumic acid for the establishment of this model was 2300–1100
cm
−1. All spectra were obtained in the transmittance mode, then normalized and first derivative transformed. The model yielded a regression coefficient
R
2 equal to 1 for the training set and a root mean square error of prediction (RMSEP) equal to 0.2 for the validation set. The percentage recoveries of the method for the analysis of N
iflugel
® ranged from 96.60 to 101.02%.</description><subject>Analysis</subject><subject>Analytical, structural and metabolic biochemistry</subject><subject>Anti-Inflammatory Agents, Non-Steroidal - analysis</subject><subject>Attenuated total reflectance</subject><subject>Biological and medical sciences</subject><subject>FTIR</subject><subject>Fundamental and applied biological sciences. Psychology</subject><subject>Gels</subject><subject>General pharmacology</subject><subject>Least-Squares Analysis</subject><subject>Medical sciences</subject><subject>Niflumic acid</subject><subject>Niflumic Acid - analysis</subject><subject>Partial least squares regression</subject><subject>Pharmaceutical Preparations - chemistry</subject><subject>Pharmaceuticals</subject><subject>Pharmacology. Drug treatments</subject><subject>Quality Control</subject><subject>Reproducibility of Results</subject><subject>Spectroscopy, Fourier Transform Infrared - methods</subject><issn>0731-7085</issn><issn>1873-264X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2006</creationdate><recordtype>article</recordtype><sourceid>EIF</sourceid><recordid>eNp9kU1v1DAQhi1ERZfSP8AB-QK3pON82I7EpWopVFqpqCxSb5Zjj8FRvrATpP33eLsr9cZpLs-8eucZQt4zyBkwftXl3dzqvACocxA5MPmKbJgUZVbw6uk12YAoWSZA1ufkbYwdJJA11RtyzjgrCtnUG9Ld-oBmoRYXDIMf9eKnkU6Ojt716-AN1cZb6keq6fxbh0EbXBdvdE9_YU_bPb3ePV7d7e4faZxTUJiimeY91aOl37c_aAJ9G55T35Ezp_uIl6d5QX7efdndfMu2D1_vb663mSlltWSNYFbICjgHYwvTVshrXTrpjNOixNoY0bSiwIbbUjPnqlrXUIHjzCJI2ZYX5NMxdw7TnxXjogYfDfa9HnFaoxIgGOOcJbA4gia1jgGdmoMfdNgrBupgWHXqYFgdDCsQKhlOSx9O6Ws7oH1ZOSlNwMcToGO63gU9Gh9fOFGDZPzAfT5ymFz89RhUNB5Hg_b5I8pO_n89_gH61poL</recordid><startdate>20060213</startdate><enddate>20060213</enddate><creator>Boyer, C.</creator><creator>Brégère, B.</creator><creator>Crouchet, S.</creator><creator>Gaudin, K.</creator><creator>Dubost, J.P.</creator><general>Elsevier B.V</general><general>Elsevier Science</general><scope>IQODW</scope><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>20060213</creationdate><title>Direct determination of niflumic acid in a pharmaceutical gel by ATR/FTIR spectroscopy and PLS calibration</title><author>Boyer, C. ; Brégère, B. ; Crouchet, S. ; Gaudin, K. ; Dubost, J.P.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c384t-971d7840660cd2cb4e65a3f8fcfa73e5cc79b72e96d3a1ff45a5040f61de088b3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2006</creationdate><topic>Analysis</topic><topic>Analytical, structural and metabolic biochemistry</topic><topic>Anti-Inflammatory Agents, Non-Steroidal - analysis</topic><topic>Attenuated total reflectance</topic><topic>Biological and medical sciences</topic><topic>FTIR</topic><topic>Fundamental and applied biological sciences. Psychology</topic><topic>Gels</topic><topic>General pharmacology</topic><topic>Least-Squares Analysis</topic><topic>Medical sciences</topic><topic>Niflumic acid</topic><topic>Niflumic Acid - analysis</topic><topic>Partial least squares regression</topic><topic>Pharmaceutical Preparations - chemistry</topic><topic>Pharmaceuticals</topic><topic>Pharmacology. Drug treatments</topic><topic>Quality Control</topic><topic>Reproducibility of Results</topic><topic>Spectroscopy, Fourier Transform Infrared - methods</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Boyer, C.</creatorcontrib><creatorcontrib>Brégère, B.</creatorcontrib><creatorcontrib>Crouchet, S.</creatorcontrib><creatorcontrib>Gaudin, K.</creatorcontrib><creatorcontrib>Dubost, J.P.</creatorcontrib><collection>Pascal-Francis</collection><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>Boyer, C.</au><au>Brégère, B.</au><au>Crouchet, S.</au><au>Gaudin, K.</au><au>Dubost, J.P.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Direct determination of niflumic acid in a pharmaceutical gel by ATR/FTIR spectroscopy and PLS calibration</atitle><jtitle>Journal of pharmaceutical and biomedical analysis</jtitle><addtitle>J Pharm Biomed Anal</addtitle><date>2006-02-13</date><risdate>2006</risdate><volume>40</volume><issue>2</issue><spage>433</spage><epage>437</epage><pages>433-437</pages><issn>0731-7085</issn><eissn>1873-264X</eissn><coden>JPBADA</coden><abstract>A simple, rapid and convenient analytical method without sample handling procedure is proposed for the determination of niflumic acid in a pharmaceutical gel with attenuated total reflectance/Fourier transform infrared spectroscopy (ATR/FTIR). A partial least square (PLS) calibration model for the prediction of niflumic acid contents was developed using 81 and 27 spectra of standard gels as training and validation sets, respectively. The used spectral range of niflumic acid for the establishment of this model was 2300–1100
cm
−1. All spectra were obtained in the transmittance mode, then normalized and first derivative transformed. The model yielded a regression coefficient
R
2 equal to 1 for the training set and a root mean square error of prediction (RMSEP) equal to 0.2 for the validation set. The percentage recoveries of the method for the analysis of N
iflugel
® ranged from 96.60 to 101.02%.</abstract><cop>Amsterdam</cop><pub>Elsevier B.V</pub><pmid>16122895</pmid><doi>10.1016/j.jpba.2005.07.018</doi><tpages>5</tpages></addata></record> |
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subjects | Analysis Analytical, structural and metabolic biochemistry Anti-Inflammatory Agents, Non-Steroidal - analysis Attenuated total reflectance Biological and medical sciences FTIR Fundamental and applied biological sciences. Psychology Gels General pharmacology Least-Squares Analysis Medical sciences Niflumic acid Niflumic Acid - analysis Partial least squares regression Pharmaceutical Preparations - chemistry Pharmaceuticals Pharmacology. Drug treatments Quality Control Reproducibility of Results Spectroscopy, Fourier Transform Infrared - methods |
title | Direct determination of niflumic acid in a pharmaceutical gel by ATR/FTIR spectroscopy and PLS calibration |
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