Non-destructive method for determination of hydroxyl value of soybean polyol by LS-SVM using HATR/FT-IR
This paper presents the use of least-squares support vector machine (LS-SVM) for quantitative determination of hydroxyl value (OHV) of hydroxylated soybean oils by horizontal attenuated total reflection Fourier transform infrared (HATR/FT-IR) spectroscopy. A least-squares support vector machine (LS-...
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| Veröffentlicht in: | Analytica chimica acta 2007-07, Vol.595 (1), p.114-119 |
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| container_title | Analytica chimica acta |
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| creator | Ferrão, Marco F. Godoy, Simone C. Gerbase, Annelise E. Mello, Cesar Furtado, João Carlos Petzhold, Cesar L. Poppi, Ronei Jesus |
| description | This paper presents the use of least-squares support vector machine (LS-SVM) for quantitative determination of hydroxyl value (OHV) of hydroxylated soybean oils by horizontal attenuated total reflection Fourier transform infrared (HATR/FT-IR) spectroscopy. A least-squares support vector machine (LS-SVM) calibration model for the prediction of hydroxyl value (OHV) was developed using the range 1805.1–649.9
cm
−1. Validation of the method was carried out by comparing the OHV of a series of hydroxylated soybean oil predicted by the LS-SVM model to the values obtained by the AOCS standard method. A correlation coefficient equal to 0.989 and RMSEP
=
4.96
mg of KOH/g was obtained. This study demonstrates a better prediction ability of the LS-SVM technique to determine OHV in hydroxylated soybean oil samples by HATR/FT-IR spectra. |
| doi_str_mv | 10.1016/j.aca.2007.02.066 |
| format | Article |
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cm
−1. Validation of the method was carried out by comparing the OHV of a series of hydroxylated soybean oil predicted by the LS-SVM model to the values obtained by the AOCS standard method. A correlation coefficient equal to 0.989 and RMSEP
=
4.96
mg of KOH/g was obtained. This study demonstrates a better prediction ability of the LS-SVM technique to determine OHV in hydroxylated soybean oil samples by HATR/FT-IR spectra.</description><identifier>ISSN: 0003-2670</identifier><identifier>EISSN: 1873-4324</identifier><identifier>DOI: 10.1016/j.aca.2007.02.066</identifier><identifier>PMID: 17605990</identifier><identifier>CODEN: ACACAM</identifier><language>eng</language><publisher>Amsterdam: Elsevier B.V</publisher><subject>Analytical chemistry ; Chemistry ; Chemometrics ; Exact sciences and technology ; Horizontal attenuated total reflectance ; Hydroxyl value ; Hydroxylated soybean oil ; Least-squares support vector machine ; Spectrometric and optical methods</subject><ispartof>Analytica chimica acta, 2007-07, Vol.595 (1), p.114-119</ispartof><rights>2007 Elsevier B.V.</rights><rights>2007 INIST-CNRS</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c381t-85cd21fcf20f917ca09f48fc0b75416b3a77e372235a3eb4f4d10bcbc55356323</citedby><cites>FETCH-LOGICAL-c381t-85cd21fcf20f917ca09f48fc0b75416b3a77e372235a3eb4f4d10bcbc55356323</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://www.sciencedirect.com/science/article/pii/S0003267007004370$$EHTML$$P50$$Gelsevier$$H</linktohtml><link.rule.ids>309,310,314,776,780,785,786,3537,23909,23910,25118,27901,27902,65306</link.rule.ids><backlink>$$Uhttp://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&idt=18956268$$DView record in Pascal Francis$$Hfree_for_read</backlink><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/17605990$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Ferrão, Marco F.</creatorcontrib><creatorcontrib>Godoy, Simone C.</creatorcontrib><creatorcontrib>Gerbase, Annelise E.</creatorcontrib><creatorcontrib>Mello, Cesar</creatorcontrib><creatorcontrib>Furtado, João Carlos</creatorcontrib><creatorcontrib>Petzhold, Cesar L.</creatorcontrib><creatorcontrib>Poppi, Ronei Jesus</creatorcontrib><title>Non-destructive method for determination of hydroxyl value of soybean polyol by LS-SVM using HATR/FT-IR</title><title>Analytica chimica acta</title><addtitle>Anal Chim Acta</addtitle><description>This paper presents the use of least-squares support vector machine (LS-SVM) for quantitative determination of hydroxyl value (OHV) of hydroxylated soybean oils by horizontal attenuated total reflection Fourier transform infrared (HATR/FT-IR) spectroscopy. A least-squares support vector machine (LS-SVM) calibration model for the prediction of hydroxyl value (OHV) was developed using the range 1805.1–649.9
cm
−1. Validation of the method was carried out by comparing the OHV of a series of hydroxylated soybean oil predicted by the LS-SVM model to the values obtained by the AOCS standard method. A correlation coefficient equal to 0.989 and RMSEP
=
4.96
mg of KOH/g was obtained. This study demonstrates a better prediction ability of the LS-SVM technique to determine OHV in hydroxylated soybean oil samples by HATR/FT-IR spectra.</description><subject>Analytical chemistry</subject><subject>Chemistry</subject><subject>Chemometrics</subject><subject>Exact sciences and technology</subject><subject>Horizontal attenuated total reflectance</subject><subject>Hydroxyl value</subject><subject>Hydroxylated soybean oil</subject><subject>Least-squares support vector machine</subject><subject>Spectrometric and optical methods</subject><issn>0003-2670</issn><issn>1873-4324</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2007</creationdate><recordtype>article</recordtype><recordid>eNp9kMFu1DAQhi0EotvCA3BBvsAt6dhO4kScqqqllRaQ2oWr5Tjj1qskXuxkRd4er3al3noazej7RzMfIZ8Y5AxYdbnNtdE5B5A58Byq6g1ZsVqKrBC8eEtWACAyXkk4I-cxblPLGRTvyRmTFZRNAyvy9NOPWYdxCrOZ3B7pgNOz76j1gXY4YRjcqCfnR-otfV664P8tPd3rfsbDJPqlRT3Sne8X39N2oevH7PHPDzpHNz7Ru6vNw-XtJrt_-EDeWd1H_HiqF-T37c3m-i5b__p-f321zoyo2ZTVpek4s8ZysA2TRkNji9oaaGVZsKoVWkoUknNRaoFtYYuOQWtaU5airAQXF-Trce8u-L9z-ksNLhrsez2in6OSyRJADQlkR9AEH2NAq3bBDTosioE62FVbleyqg10FXKVcynw-LZ_bAbuXxElnAr6cAB2N7m3Qo3HxhaubsuJVnbhvRw6Tir3DoKJxOBrsXEAzqc67V874D-IrlrM</recordid><startdate>20070709</startdate><enddate>20070709</enddate><creator>Ferrão, Marco F.</creator><creator>Godoy, Simone C.</creator><creator>Gerbase, Annelise E.</creator><creator>Mello, Cesar</creator><creator>Furtado, João Carlos</creator><creator>Petzhold, Cesar L.</creator><creator>Poppi, Ronei Jesus</creator><general>Elsevier B.V</general><general>Elsevier</general><scope>IQODW</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7X8</scope></search><sort><creationdate>20070709</creationdate><title>Non-destructive method for determination of hydroxyl value of soybean polyol by LS-SVM using HATR/FT-IR</title><author>Ferrão, Marco F. ; Godoy, Simone C. ; Gerbase, Annelise E. ; Mello, Cesar ; Furtado, João Carlos ; Petzhold, Cesar L. ; Poppi, Ronei Jesus</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c381t-85cd21fcf20f917ca09f48fc0b75416b3a77e372235a3eb4f4d10bcbc55356323</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2007</creationdate><topic>Analytical chemistry</topic><topic>Chemistry</topic><topic>Chemometrics</topic><topic>Exact sciences and technology</topic><topic>Horizontal attenuated total reflectance</topic><topic>Hydroxyl value</topic><topic>Hydroxylated soybean oil</topic><topic>Least-squares support vector machine</topic><topic>Spectrometric and optical methods</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Ferrão, Marco F.</creatorcontrib><creatorcontrib>Godoy, Simone C.</creatorcontrib><creatorcontrib>Gerbase, Annelise E.</creatorcontrib><creatorcontrib>Mello, Cesar</creatorcontrib><creatorcontrib>Furtado, João Carlos</creatorcontrib><creatorcontrib>Petzhold, Cesar L.</creatorcontrib><creatorcontrib>Poppi, Ronei Jesus</creatorcontrib><collection>Pascal-Francis</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><jtitle>Analytica chimica acta</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Ferrão, Marco F.</au><au>Godoy, Simone C.</au><au>Gerbase, Annelise E.</au><au>Mello, Cesar</au><au>Furtado, João Carlos</au><au>Petzhold, Cesar L.</au><au>Poppi, Ronei Jesus</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Non-destructive method for determination of hydroxyl value of soybean polyol by LS-SVM using HATR/FT-IR</atitle><jtitle>Analytica chimica acta</jtitle><addtitle>Anal Chim Acta</addtitle><date>2007-07-09</date><risdate>2007</risdate><volume>595</volume><issue>1</issue><spage>114</spage><epage>119</epage><pages>114-119</pages><issn>0003-2670</issn><eissn>1873-4324</eissn><coden>ACACAM</coden><abstract>This paper presents the use of least-squares support vector machine (LS-SVM) for quantitative determination of hydroxyl value (OHV) of hydroxylated soybean oils by horizontal attenuated total reflection Fourier transform infrared (HATR/FT-IR) spectroscopy. A least-squares support vector machine (LS-SVM) calibration model for the prediction of hydroxyl value (OHV) was developed using the range 1805.1–649.9
cm
−1. Validation of the method was carried out by comparing the OHV of a series of hydroxylated soybean oil predicted by the LS-SVM model to the values obtained by the AOCS standard method. A correlation coefficient equal to 0.989 and RMSEP
=
4.96
mg of KOH/g was obtained. This study demonstrates a better prediction ability of the LS-SVM technique to determine OHV in hydroxylated soybean oil samples by HATR/FT-IR spectra.</abstract><cop>Amsterdam</cop><pub>Elsevier B.V</pub><pmid>17605990</pmid><doi>10.1016/j.aca.2007.02.066</doi><tpages>6</tpages></addata></record> |
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| source | ScienceDirect Journals (5 years ago - present) |
| subjects | Analytical chemistry Chemistry Chemometrics Exact sciences and technology Horizontal attenuated total reflectance Hydroxyl value Hydroxylated soybean oil Least-squares support vector machine Spectrometric and optical methods |
| title | Non-destructive method for determination of hydroxyl value of soybean polyol by LS-SVM using HATR/FT-IR |
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