Non-targeted detection of paprika adulteration using mid-infrared spectroscopy and one-class classification – Is it data preprocessing that makes the performance?
•A rapid method for non-targeted detection of paprika adulteration was developed.•Mid-infrared spectroscopy was combined with a one-class modelling technique.•One-class models were developed and extensively validated.•The influence of data preprocessing on the model performance was investigated. A m...
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Veröffentlicht in: | Food chemistry 2018-08, Vol.257, p.112-119 |
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creator | Horn, Bettina Esslinger, Susanne Pfister, Michael Fauhl-Hassek, Carsten Riedl, Janet |
description | •A rapid method for non-targeted detection of paprika adulteration was developed.•Mid-infrared spectroscopy was combined with a one-class modelling technique.•One-class models were developed and extensively validated.•The influence of data preprocessing on the model performance was investigated.
A method for the non-targeted detection of paprika adulteration was developed using Fourier transform mid-infrared (FT-MIR) spectroscopy and one-class soft independent modelling of class analogy (OCSIMCA). One-class models based on commercially available paprika powders were developed and optimised to provide >80% sensitivity by external validation. The performances of the established models for adulteration detection were tested by predicting spiked paprika samples with various types of fraudulent material and levels of adulterations including 1% (w/w) Sudan I, 1% (w/w) Sudan IV, 3% (w/w) lead chromate, 3% (w/w) lead oxide, 5% (w/w) silicon dioxide, 10% (w/w) polyvinyl chloride, and 10% (w/w) gum arabic. Further, the influence of data preprocessing on the model performance was investigated. Relationship between classification results and data preprocessing was identified and specificity >80% was achieved for all adulterants by applying different preprocessing methods including standard normal variate (SNV), first and second derivatives, smoothing, and combinations thereof. |
doi_str_mv | 10.1016/j.foodchem.2018.03.007 |
format | Article |
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A method for the non-targeted detection of paprika adulteration was developed using Fourier transform mid-infrared (FT-MIR) spectroscopy and one-class soft independent modelling of class analogy (OCSIMCA). One-class models based on commercially available paprika powders were developed and optimised to provide >80% sensitivity by external validation. The performances of the established models for adulteration detection were tested by predicting spiked paprika samples with various types of fraudulent material and levels of adulterations including 1% (w/w) Sudan I, 1% (w/w) Sudan IV, 3% (w/w) lead chromate, 3% (w/w) lead oxide, 5% (w/w) silicon dioxide, 10% (w/w) polyvinyl chloride, and 10% (w/w) gum arabic. Further, the influence of data preprocessing on the model performance was investigated. Relationship between classification results and data preprocessing was identified and specificity >80% was achieved for all adulterants by applying different preprocessing methods including standard normal variate (SNV), first and second derivatives, smoothing, and combinations thereof.</description><subject>Capsicum - chemistry</subject><subject>Data preprocessing</subject><subject>Detection of adulteration</subject><subject>Food authenticity</subject><subject>Food Quality</subject><subject>Fraud</subject><subject>General anomaly testing</subject><subject>One-class modelling</subject><subject>Screening method</subject><subject>Spectrophotometry, Infrared</subject><subject>Statistics as Topic</subject><issn>0308-8146</issn><issn>1873-7072</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2018</creationdate><recordtype>article</recordtype><sourceid>EIF</sourceid><recordid>eNqFUctuFDEQtBCILIFfiHzkMkvb87D3BCjiESmCC5ytXrsn8WZmPNieSLnxD_xCvixfgnc34cqlu2VVVburGDsTsBYgune7dR-Cs9c0riUIvYZ6DaCesZXQqq4UKPmcraAGXWnRdCfsVUo7ANhjX7ITuemkFLpbsftvYaoyxivK5Lgr1WYfJh56PuMc_Q1ydMuQKeLhfUl-uuKjd5Wf-oixkNJcODEkG-Y7jpPjYaLKDpgSP1Tfe3skP_z-wy8S95k7zMjnSHMMltJBM19j5iPeUCoj8ZliH-KIk6X3r9mLHodEbx77Kfv5-dOP86_V5fcvF-cfLyvbQJsrUlaDgkY0TiorWl232IF1SmqFeguy7epGuNZu0TWtpn5DbQet7Wol-hagPmVvj7rlW78WStmMPlkaBpwoLMlIkHKzKbq6QLsj1JbLU6TeFLNGjHdGgNknZHbmKSGzd91AbUpChXj2uGPZjuT-0Z4iKYAPRwCVS289RZOsp2KD87EYbVzw_9vxFxbKqY4</recordid><startdate>20180815</startdate><enddate>20180815</enddate><creator>Horn, Bettina</creator><creator>Esslinger, Susanne</creator><creator>Pfister, Michael</creator><creator>Fauhl-Hassek, Carsten</creator><creator>Riedl, Janet</creator><general>Elsevier Ltd</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>20180815</creationdate><title>Non-targeted detection of paprika adulteration using mid-infrared spectroscopy and one-class classification – Is it data preprocessing that makes the performance?</title><author>Horn, Bettina ; Esslinger, Susanne ; Pfister, Michael ; Fauhl-Hassek, Carsten ; Riedl, Janet</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c405t-e7c8070414d27c15835a60cd7287a8b0256341d5cbad458ef9e5605c6371f5003</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2018</creationdate><topic>Capsicum - chemistry</topic><topic>Data preprocessing</topic><topic>Detection of adulteration</topic><topic>Food authenticity</topic><topic>Food Quality</topic><topic>Fraud</topic><topic>General anomaly testing</topic><topic>One-class modelling</topic><topic>Screening method</topic><topic>Spectrophotometry, Infrared</topic><topic>Statistics as Topic</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Horn, Bettina</creatorcontrib><creatorcontrib>Esslinger, Susanne</creatorcontrib><creatorcontrib>Pfister, Michael</creatorcontrib><creatorcontrib>Fauhl-Hassek, Carsten</creatorcontrib><creatorcontrib>Riedl, Janet</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>Food chemistry</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Horn, Bettina</au><au>Esslinger, Susanne</au><au>Pfister, Michael</au><au>Fauhl-Hassek, Carsten</au><au>Riedl, Janet</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Non-targeted detection of paprika adulteration using mid-infrared spectroscopy and one-class classification – Is it data preprocessing that makes the performance?</atitle><jtitle>Food chemistry</jtitle><addtitle>Food Chem</addtitle><date>2018-08-15</date><risdate>2018</risdate><volume>257</volume><spage>112</spage><epage>119</epage><pages>112-119</pages><issn>0308-8146</issn><eissn>1873-7072</eissn><abstract>•A rapid method for non-targeted detection of paprika adulteration was developed.•Mid-infrared spectroscopy was combined with a one-class modelling technique.•One-class models were developed and extensively validated.•The influence of data preprocessing on the model performance was investigated.
A method for the non-targeted detection of paprika adulteration was developed using Fourier transform mid-infrared (FT-MIR) spectroscopy and one-class soft independent modelling of class analogy (OCSIMCA). One-class models based on commercially available paprika powders were developed and optimised to provide >80% sensitivity by external validation. The performances of the established models for adulteration detection were tested by predicting spiked paprika samples with various types of fraudulent material and levels of adulterations including 1% (w/w) Sudan I, 1% (w/w) Sudan IV, 3% (w/w) lead chromate, 3% (w/w) lead oxide, 5% (w/w) silicon dioxide, 10% (w/w) polyvinyl chloride, and 10% (w/w) gum arabic. Further, the influence of data preprocessing on the model performance was investigated. Relationship between classification results and data preprocessing was identified and specificity >80% was achieved for all adulterants by applying different preprocessing methods including standard normal variate (SNV), first and second derivatives, smoothing, and combinations thereof.</abstract><cop>England</cop><pub>Elsevier Ltd</pub><pmid>29622186</pmid><doi>10.1016/j.foodchem.2018.03.007</doi><tpages>8</tpages></addata></record> |
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subjects | Capsicum - chemistry Data preprocessing Detection of adulteration Food authenticity Food Quality Fraud General anomaly testing One-class modelling Screening method Spectrophotometry, Infrared Statistics as Topic |
title | Non-targeted detection of paprika adulteration using mid-infrared spectroscopy and one-class classification – Is it data preprocessing that makes the performance? |
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