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Quantitative analysis of a pharmaceutical formulation: Performance comparison of different handheld near-infrared spectrometers
•The application of real handheld (
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| Published in: | Journal of pharmaceutical and biomedical analysis 2018-10, Vol.160, p.179-186 |
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| Main Authors: | , |
| Format: | Article |
| Language: | English |
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| cited_by | cdi_FETCH-LOGICAL-c356t-9d1afe9ecba807bcd40ef377c60728cfa39a9b8733e5e40a569a61d4135469923 |
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| cites | cdi_FETCH-LOGICAL-c356t-9d1afe9ecba807bcd40ef377c60728cfa39a9b8733e5e40a569a61d4135469923 |
| container_end_page | 186 |
| container_issue | |
| container_start_page | 179 |
| container_title | Journal of pharmaceutical and biomedical analysis |
| container_volume | 160 |
| creator | Yan, Hui Siesler, Heinz W. |
| description | •The application of real handheld ( |
| doi_str_mv | 10.1016/j.jpba.2018.07.048 |
| format | article |
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Notwithstanding the first developments of miniaturized vibrational spectrometers more than a decade ago, only recently real handheld near-infrared (NIR) spectrometers (<200 g) became commercially available at significantly reduced costs compared to other portable systems. While on the one hand this development was driven by the consumer request for every-day-life applications by non-experts, on the manufacturer side it was supported by the availability and potential of new technologies such as micro-electromechanical systems (MEMS).
In the present communication calibration spectra of a solid pharmaceutical formulation consisting of two excipients and three active ingredients, acetylsalicylic acid (ASA), ascorbic acid (ASC) and caffeine (CAF), have been measured with four handheld NIR spectrometers based on different monochromator principles and have subsequently been used to develop partial least squares (PLS) models for the quantitative determination of the active ingredients. Taking into account the instrumental and spectral peculiarities of the four instruments and the three analytes, respectively, the detailed analysis of the calibration parameters and the prediction accuracy for a test sample set then allowed to compare the performance of the different spectrometers for the analytical problem under investigation.</description><identifier>ISSN: 0731-7085</identifier><identifier>EISSN: 1873-264X</identifier><identifier>DOI: 10.1016/j.jpba.2018.07.048</identifier><identifier>PMID: 30096648</identifier><language>eng</language><publisher>England: Elsevier B.V</publisher><subject>Analytical performance ; Ascorbic Acid - analysis ; Aspirin - analysis ; Caffeine - analysis ; Calibration ; Drug Compounding - statistics & numerical data ; Evaluation Studies as Topic ; Handheld NIR spectrometers ; Partial least squares (PLS) calibration ; Pharmaceutical formulation ; Quantitative NIR analysis ; Spectroscopy, Near-Infrared - instrumentation ; Spectroscopy, Near-Infrared - methods</subject><ispartof>Journal of pharmaceutical and biomedical analysis, 2018-10, Vol.160, p.179-186</ispartof><rights>2018 Elsevier B.V.</rights><rights>Copyright © 2018 Elsevier B.V. All rights reserved.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c356t-9d1afe9ecba807bcd40ef377c60728cfa39a9b8733e5e40a569a61d4135469923</citedby><cites>FETCH-LOGICAL-c356t-9d1afe9ecba807bcd40ef377c60728cfa39a9b8733e5e40a569a61d4135469923</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,27922,27923</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/30096648$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Yan, Hui</creatorcontrib><creatorcontrib>Siesler, Heinz W.</creatorcontrib><title>Quantitative analysis of a pharmaceutical formulation: Performance comparison of different handheld near-infrared spectrometers</title><title>Journal of pharmaceutical and biomedical analysis</title><addtitle>J Pharm Biomed Anal</addtitle><description>•The application of real handheld (<200 g) NIR spectrometers for the quantitative analysis of a solid pharmaceutical formulation is described.•The performance of the instruments based on different monochromator principles is discussed with reference to the instrumental peculiarities.•The publication demonstrates the potential of handheld NIR spectrometers for quantitative assay methods of pharmaceutical formulations.
Notwithstanding the first developments of miniaturized vibrational spectrometers more than a decade ago, only recently real handheld near-infrared (NIR) spectrometers (<200 g) became commercially available at significantly reduced costs compared to other portable systems. While on the one hand this development was driven by the consumer request for every-day-life applications by non-experts, on the manufacturer side it was supported by the availability and potential of new technologies such as micro-electromechanical systems (MEMS).
In the present communication calibration spectra of a solid pharmaceutical formulation consisting of two excipients and three active ingredients, acetylsalicylic acid (ASA), ascorbic acid (ASC) and caffeine (CAF), have been measured with four handheld NIR spectrometers based on different monochromator principles and have subsequently been used to develop partial least squares (PLS) models for the quantitative determination of the active ingredients. Taking into account the instrumental and spectral peculiarities of the four instruments and the three analytes, respectively, the detailed analysis of the calibration parameters and the prediction accuracy for a test sample set then allowed to compare the performance of the different spectrometers for the analytical problem under investigation.</description><subject>Analytical performance</subject><subject>Ascorbic Acid - analysis</subject><subject>Aspirin - analysis</subject><subject>Caffeine - analysis</subject><subject>Calibration</subject><subject>Drug Compounding - statistics & numerical data</subject><subject>Evaluation Studies as Topic</subject><subject>Handheld NIR spectrometers</subject><subject>Partial least squares (PLS) calibration</subject><subject>Pharmaceutical formulation</subject><subject>Quantitative NIR analysis</subject><subject>Spectroscopy, Near-Infrared - instrumentation</subject><subject>Spectroscopy, Near-Infrared - methods</subject><issn>0731-7085</issn><issn>1873-264X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2018</creationdate><recordtype>article</recordtype><recordid>eNp9kE2L1TAUhoMoznX0D7iQLN20Jv1IGnEjgzoDAyoouAunyQk3lzapSTowq_nrttzRpavDged94X0Iec1ZzRkX7071aRmhbhgfaiZr1g1PyIEPsq0a0f16Sg5MtrySbOgvyIucT4yxnqvuObloGVNCdMOBPHxfIRRfoPg7pBBgus8-0-go0OUIaQaDa_EGJupimtdpA2N4T79h2n8IBqmJ8wLJ5xj2nPXOYcJQ6BGCPeJkaUBIlQ8uQUJL84KmpDhjwZRfkmcOpoyvHu8l-fn504-r6-r265ebq4-3lWl7USplOThUaEYYmByN7Ri6VkojmGwG46BVoMZteos9dgx6oUBw2_G274RSTXtJ3p57lxR_r5iLnn02OE0QMK5ZN2yQvRK85xvanFGTYs4JnV6SnyHda870Ll6f9C5e7-I1k3oTv4XePPav44z2X-Sv6Q34cAZwW3nnMelsPG76rE-bD22j_1__H1SUmAA</recordid><startdate>20181025</startdate><enddate>20181025</enddate><creator>Yan, Hui</creator><creator>Siesler, Heinz W.</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>20181025</creationdate><title>Quantitative analysis of a pharmaceutical formulation: Performance comparison of different handheld near-infrared spectrometers</title><author>Yan, Hui ; Siesler, Heinz W.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c356t-9d1afe9ecba807bcd40ef377c60728cfa39a9b8733e5e40a569a61d4135469923</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2018</creationdate><topic>Analytical performance</topic><topic>Ascorbic Acid - analysis</topic><topic>Aspirin - analysis</topic><topic>Caffeine - analysis</topic><topic>Calibration</topic><topic>Drug Compounding - statistics & numerical data</topic><topic>Evaluation Studies as Topic</topic><topic>Handheld NIR spectrometers</topic><topic>Partial least squares (PLS) calibration</topic><topic>Pharmaceutical formulation</topic><topic>Quantitative NIR analysis</topic><topic>Spectroscopy, Near-Infrared - instrumentation</topic><topic>Spectroscopy, Near-Infrared - methods</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Yan, Hui</creatorcontrib><creatorcontrib>Siesler, Heinz W.</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>Yan, Hui</au><au>Siesler, Heinz W.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Quantitative analysis of a pharmaceutical formulation: Performance comparison of different handheld near-infrared spectrometers</atitle><jtitle>Journal of pharmaceutical and biomedical analysis</jtitle><addtitle>J Pharm Biomed Anal</addtitle><date>2018-10-25</date><risdate>2018</risdate><volume>160</volume><spage>179</spage><epage>186</epage><pages>179-186</pages><issn>0731-7085</issn><eissn>1873-264X</eissn><abstract>•The application of real handheld (<200 g) NIR spectrometers for the quantitative analysis of a solid pharmaceutical formulation is described.•The performance of the instruments based on different monochromator principles is discussed with reference to the instrumental peculiarities.•The publication demonstrates the potential of handheld NIR spectrometers for quantitative assay methods of pharmaceutical formulations.
Notwithstanding the first developments of miniaturized vibrational spectrometers more than a decade ago, only recently real handheld near-infrared (NIR) spectrometers (<200 g) became commercially available at significantly reduced costs compared to other portable systems. While on the one hand this development was driven by the consumer request for every-day-life applications by non-experts, on the manufacturer side it was supported by the availability and potential of new technologies such as micro-electromechanical systems (MEMS).
In the present communication calibration spectra of a solid pharmaceutical formulation consisting of two excipients and three active ingredients, acetylsalicylic acid (ASA), ascorbic acid (ASC) and caffeine (CAF), have been measured with four handheld NIR spectrometers based on different monochromator principles and have subsequently been used to develop partial least squares (PLS) models for the quantitative determination of the active ingredients. Taking into account the instrumental and spectral peculiarities of the four instruments and the three analytes, respectively, the detailed analysis of the calibration parameters and the prediction accuracy for a test sample set then allowed to compare the performance of the different spectrometers for the analytical problem under investigation.</abstract><cop>England</cop><pub>Elsevier B.V</pub><pmid>30096648</pmid><doi>10.1016/j.jpba.2018.07.048</doi><tpages>8</tpages></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 0731-7085 |
| ispartof | Journal of pharmaceutical and biomedical analysis, 2018-10, Vol.160, p.179-186 |
| issn | 0731-7085 1873-264X |
| language | eng |
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| source | ScienceDirect Freedom Collection |
| subjects | Analytical performance Ascorbic Acid - analysis Aspirin - analysis Caffeine - analysis Calibration Drug Compounding - statistics & numerical data Evaluation Studies as Topic Handheld NIR spectrometers Partial least squares (PLS) calibration Pharmaceutical formulation Quantitative NIR analysis Spectroscopy, Near-Infrared - instrumentation Spectroscopy, Near-Infrared - methods |
| title | Quantitative analysis of a pharmaceutical formulation: Performance comparison of different handheld near-infrared spectrometers |
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