Determination of hydrogen peroxide concentration using a handheld Raman spectrometer: Detection of an explosives precursor
Abstract It has been shown that a handheld Raman spectrometer can be used to determine hydrogen peroxide concentration in aqueous solutions in seconds. To allow quantitative analysis, the aqueous peroxide samples were mixed 50/50 (v/v) with a 4 mol/dm3 sodium perchlorate solution which acted as the...
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| Veröffentlicht in: | Forensic science international 2012-03, Vol.216 (1), p.e5-e8 |
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| description | Abstract It has been shown that a handheld Raman spectrometer can be used to determine hydrogen peroxide concentration in aqueous solutions in seconds. To allow quantitative analysis, the aqueous peroxide samples were mixed 50/50 (v/v) with a 4 mol/dm3 sodium perchlorate solution which acted as the internal standard. Standard calibration using relative peak heights of the strongest perchlorate (932 cm−1 ) and peroxide bands (876 cm−1 ) gave an average error of 1.43% for samples in the range 5–30% peroxide. PLS regression of the same data set gave an average error of 0.98%. In addition, the concentrations of the samples were estimated by searching spectra against a library of standard spectra prepared using the same range of peroxide concentrations at 5% increments and with the same perchlorate internal standard. It was found that the library searching method classified all the test samples correctly, matching either the spectra of the same concentration, if they were present, or matching to the closest concentration if an exact match was not possible. This method thus provides a very rapid technique to allow determination of hydrogen peroxide concentrations in the field, for example at suspected improvised explosives manufacturing sites, without complex calibration procedures. |
| doi_str_mv | 10.1016/j.forsciint.2011.08.002 |
| format | Article |
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To allow quantitative analysis, the aqueous peroxide samples were mixed 50/50 (v/v) with a 4 mol/dm3 sodium perchlorate solution which acted as the internal standard. Standard calibration using relative peak heights of the strongest perchlorate (932 cm−1 ) and peroxide bands (876 cm−1 ) gave an average error of 1.43% for samples in the range 5–30% peroxide. PLS regression of the same data set gave an average error of 0.98%. In addition, the concentrations of the samples were estimated by searching spectra against a library of standard spectra prepared using the same range of peroxide concentrations at 5% increments and with the same perchlorate internal standard. It was found that the library searching method classified all the test samples correctly, matching either the spectra of the same concentration, if they were present, or matching to the closest concentration if an exact match was not possible. This method thus provides a very rapid technique to allow determination of hydrogen peroxide concentrations in the field, for example at suspected improvised explosives manufacturing sites, without complex calibration procedures.</description><identifier>ISSN: 0379-0738</identifier><identifier>EISSN: 1872-6283</identifier><identifier>DOI: 10.1016/j.forsciint.2011.08.002</identifier><identifier>PMID: 21873007</identifier><language>eng</language><publisher>Ireland: Elsevier Ireland Ltd</publisher><subject>Advantages ; Aqueous solutions ; Calibration ; Classification ; Explosives ; Forensic chemistry ; Forensic sciences ; Hydrogen peroxide ; IED ; Library collections ; Matching ; Methods ; Multivariate analysis ; Pathology ; Peroxide ; Peroxides ; Portable Raman ; Searching ; Software ; Spectra ; Spectrometers ; Spectrum analysis ; TATP</subject><ispartof>Forensic science international, 2012-03, Vol.216 (1), p.e5-e8</ispartof><rights>Elsevier Ireland Ltd</rights><rights>2011 Elsevier Ireland Ltd</rights><rights>Copyright © 2011 Elsevier Ireland Ltd. All rights reserved.</rights><rights>Copyright Elsevier Sequoia S.A. Mar 10, 2012</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c513t-22e31382b4a35ac5c3305d0517331b0f705e71a295bec386bdb0e8bab5660ebd3</citedby><cites>FETCH-LOGICAL-c513t-22e31382b4a35ac5c3305d0517331b0f705e71a295bec386bdb0e8bab5660ebd3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://www.proquest.com/docview/1034883688?pq-origsite=primo$$EHTML$$P50$$Gproquest$$H</linktohtml><link.rule.ids>314,780,784,3550,27924,27925,45995,64385,64387,64389,72469</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/21873007$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Stewart, S.P</creatorcontrib><creatorcontrib>Bell, S.E.J</creatorcontrib><creatorcontrib>McAuley, D</creatorcontrib><creatorcontrib>Baird, I</creatorcontrib><creatorcontrib>Speers, S.J</creatorcontrib><creatorcontrib>Kee, G</creatorcontrib><title>Determination of hydrogen peroxide concentration using a handheld Raman spectrometer: Detection of an explosives precursor</title><title>Forensic science international</title><addtitle>Forensic Sci Int</addtitle><description>Abstract It has been shown that a handheld Raman spectrometer can be used to determine hydrogen peroxide concentration in aqueous solutions in seconds. To allow quantitative analysis, the aqueous peroxide samples were mixed 50/50 (v/v) with a 4 mol/dm3 sodium perchlorate solution which acted as the internal standard. Standard calibration using relative peak heights of the strongest perchlorate (932 cm−1 ) and peroxide bands (876 cm−1 ) gave an average error of 1.43% for samples in the range 5–30% peroxide. PLS regression of the same data set gave an average error of 0.98%. In addition, the concentrations of the samples were estimated by searching spectra against a library of standard spectra prepared using the same range of peroxide concentrations at 5% increments and with the same perchlorate internal standard. It was found that the library searching method classified all the test samples correctly, matching either the spectra of the same concentration, if they were present, or matching to the closest concentration if an exact match was not possible. This method thus provides a very rapid technique to allow determination of hydrogen peroxide concentrations in the field, for example at suspected improvised explosives manufacturing sites, without complex calibration procedures.</description><subject>Advantages</subject><subject>Aqueous solutions</subject><subject>Calibration</subject><subject>Classification</subject><subject>Explosives</subject><subject>Forensic chemistry</subject><subject>Forensic sciences</subject><subject>Hydrogen peroxide</subject><subject>IED</subject><subject>Library collections</subject><subject>Matching</subject><subject>Methods</subject><subject>Multivariate analysis</subject><subject>Pathology</subject><subject>Peroxide</subject><subject>Peroxides</subject><subject>Portable Raman</subject><subject>Searching</subject><subject>Software</subject><subject>Spectra</subject><subject>Spectrometers</subject><subject>Spectrum analysis</subject><subject>TATP</subject><issn>0379-0738</issn><issn>1872-6283</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2012</creationdate><recordtype>article</recordtype><sourceid>8G5</sourceid><sourceid>ABUWG</sourceid><sourceid>AFKRA</sourceid><sourceid>AZQEC</sourceid><sourceid>BENPR</sourceid><sourceid>CCPQU</sourceid><sourceid>DWQXO</sourceid><sourceid>GNUQQ</sourceid><sourceid>GUQSH</sourceid><sourceid>M2O</sourceid><recordid>eNqNkk1v1DAQhi0EotuFvwARHOCSZWzHTsIBqSqfUiUkPs6W40y6XhI7tZOq21-Po22LVAnEwfLBzzyjmdeEPKewoUDlm92m8yEaa920YUDpBqoNAHtAVrQqWS5ZxR-SFfCyzqHk1RE5jnEHAEIw-ZgcsURxgHJFrt_jhGGwTk_Wu8x32XbfBn-OLhsx-CvbYma8M-imcEDmaN15prOtdu0W-zb7pgftsjiimYIfFt3bbLGaW2N6xaux99FeYszGgGYO0Ycn5FGn-4hPb-41-fnxw4_Tz_nZ109fTk_OciMon3LGkFNesabQXGgjDOcgWhC05Jw20JUgsKSa1aJBwyvZtA1g1ehGSAnYtHxNXh28Y_AXM8ZJDTYa7Hvt0M9R1ayoJS2kSOTrf5Jp9bUsJCtZQl_cQ3d-Di7NkXyC84KKIkEv_wZR4EVVcZnOmpQHygQfY8BOjcEOOuwTtLSUaqfu0lZL2goqldJOlc9u_HMzYHtXdxtvAk4OAKb9XloMKlkwpdnalMKkWm__o8m7ew7TW2eN7n_hHuOfiVRkCtT35dMtf45SAF4zyX8DOifVLA</recordid><startdate>20120310</startdate><enddate>20120310</enddate><creator>Stewart, S.P</creator><creator>Bell, S.E.J</creator><creator>McAuley, D</creator><creator>Baird, I</creator><creator>Speers, S.J</creator><creator>Kee, G</creator><general>Elsevier Ireland Ltd</general><general>Elsevier Limited</general><general>Elsevier Sequoia S.A</general><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>3V.</scope><scope>7QP</scope><scope>7RV</scope><scope>7U7</scope><scope>7X7</scope><scope>7XB</scope><scope>88E</scope><scope>8FE</scope><scope>8FH</scope><scope>8FI</scope><scope>8FJ</scope><scope>8FK</scope><scope>8G5</scope><scope>ABUWG</scope><scope>AFKRA</scope><scope>AZQEC</scope><scope>BBNVY</scope><scope>BENPR</scope><scope>BHPHI</scope><scope>C1K</scope><scope>CCPQU</scope><scope>DWQXO</scope><scope>FYUFA</scope><scope>GHDGH</scope><scope>GNUQQ</scope><scope>GUQSH</scope><scope>HCIFZ</scope><scope>K9.</scope><scope>KB0</scope><scope>LK8</scope><scope>M0S</scope><scope>M1P</scope><scope>M2O</scope><scope>M7P</scope><scope>MBDVC</scope><scope>NAPCQ</scope><scope>PQEST</scope><scope>PQQKQ</scope><scope>PQUKI</scope><scope>PRINS</scope><scope>Q9U</scope><scope>7U5</scope><scope>8FD</scope><scope>L7M</scope><scope>7X8</scope></search><sort><creationdate>20120310</creationdate><title>Determination of hydrogen peroxide concentration using a handheld Raman spectrometer: Detection of an explosives precursor</title><author>Stewart, S.P ; 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To allow quantitative analysis, the aqueous peroxide samples were mixed 50/50 (v/v) with a 4 mol/dm3 sodium perchlorate solution which acted as the internal standard. Standard calibration using relative peak heights of the strongest perchlorate (932 cm−1 ) and peroxide bands (876 cm−1 ) gave an average error of 1.43% for samples in the range 5–30% peroxide. PLS regression of the same data set gave an average error of 0.98%. In addition, the concentrations of the samples were estimated by searching spectra against a library of standard spectra prepared using the same range of peroxide concentrations at 5% increments and with the same perchlorate internal standard. It was found that the library searching method classified all the test samples correctly, matching either the spectra of the same concentration, if they were present, or matching to the closest concentration if an exact match was not possible. This method thus provides a very rapid technique to allow determination of hydrogen peroxide concentrations in the field, for example at suspected improvised explosives manufacturing sites, without complex calibration procedures.</abstract><cop>Ireland</cop><pub>Elsevier Ireland Ltd</pub><pmid>21873007</pmid><doi>10.1016/j.forsciint.2011.08.002</doi></addata></record> |
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| subjects | Advantages Aqueous solutions Calibration Classification Explosives Forensic chemistry Forensic sciences Hydrogen peroxide IED Library collections Matching Methods Multivariate analysis Pathology Peroxide Peroxides Portable Raman Searching Software Spectra Spectrometers Spectrum analysis TATP |
| title | Determination of hydrogen peroxide concentration using a handheld Raman spectrometer: Detection of an explosives precursor |
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