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Rapid analysis of sugars in fruit juices by FT-NIR spectroscopy
A simple analytical procedure using FT-NIR and multivariate techniques for the rapid determination of individual sugars in fruit juices was evaluated. Different NIR detection devices and sample preparation methods were tested by using model solutions to determine their analytical performance. Aqueou...
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Published in: | Carbohydrate research 2001-11, Vol.336 (1), p.63-74 |
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description | A simple analytical procedure using FT-NIR and multivariate techniques for the rapid determination of individual sugars in fruit juices was evaluated. Different NIR detection devices and sample preparation methods were tested by using model solutions to determine their analytical performance. Aqueous solutions of sugar mixtures (glucose, fructose, and sucrose; 0–8% w/v) were used to develop a calibration model. Direct measurements were made by transflection using a reflectance accessory, by transmittance using a 0.5-mm cell, and by reflectance using a fiberglass paper filter. FT-NIR spectral data were transformed to the second derivative. Partial least-squares regression (PLSR) was used to create calibration models that were cross-validated (leave-one-out approach). The prediction ability of the models was evaluated on fruit juices and compared with HPLC and standard enzymatic techniques. The PLSR loading spectra showed characteristic absorption bands for the different sugars. Models generated from transmittance spectra gave the best performance with standard error of prediction (SEP) |
doi_str_mv | 10.1016/S0008-6215(01)00244-0 |
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R
2 of 99.9% that accurately and precisely predicted the sugar levels in juices, whereas lower precision was obtained with models generated from reflectance spectra. FT-NIR spectroscopy allowed for the rapid (∼3 min analysis time), accurate and non-destructive analysis of sugars in juices and could be applied in quality control of beverages or to monitor for adulteration or contamination.
Simple partial least-squares regression FT-NIR models generated from transmittance spectra reproducibly and precisely predicted the individual sugar content in different juice matrices using an external calibration prepared with sugar standard solutions. The technique allowed for the rapid, accurate, non-destructive and simultaneous analysis of sugars in juices and could be applied in quality control of beverages or to monitor for adulteration and contamination.</description><identifier>ISSN: 0008-6215</identifier><identifier>EISSN: 1873-426X</identifier><identifier>DOI: 10.1016/S0008-6215(01)00244-0</identifier><identifier>PMID: 11675027</identifier><language>eng</language><publisher>Netherlands: Elsevier Ltd</publisher><subject>Beverages - analysis ; Beverages - standards ; Calibration ; Carbohydrates - analysis ; Fructose - analysis ; Fruit ; Fruit juices ; FT-NIR spectroscopy ; Glucose - analysis ; Multivariate analysis ; Reference Standards ; Reproducibility of Results ; Spectroscopy, Fourier Transform Infrared - instrumentation ; Spectroscopy, Fourier Transform Infrared - methods ; Sucrose - analysis ; Sugars ; Time Factors</subject><ispartof>Carbohydrate research, 2001-11, Vol.336 (1), p.63-74</ispartof><rights>2001 Elsevier Science Ltd</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c451t-d1deff9207ce43de14fc3cda8f4b3130a475b8f1be2c8bc2625ab6f4af6eaf243</citedby><cites>FETCH-LOGICAL-c451t-d1deff9207ce43de14fc3cda8f4b3130a475b8f1be2c8bc2625ab6f4af6eaf243</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/11675027$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Rodriguez-Saona, Luis E.</creatorcontrib><creatorcontrib>Fry, Fredrick S.</creatorcontrib><creatorcontrib>McLaughlin, Michael A.</creatorcontrib><creatorcontrib>Calvey, Elizabeth M.</creatorcontrib><title>Rapid analysis of sugars in fruit juices by FT-NIR spectroscopy</title><title>Carbohydrate research</title><addtitle>Carbohydr Res</addtitle><description>A simple analytical procedure using FT-NIR and multivariate techniques for the rapid determination of individual sugars in fruit juices was evaluated. Different NIR detection devices and sample preparation methods were tested by using model solutions to determine their analytical performance. Aqueous solutions of sugar mixtures (glucose, fructose, and sucrose; 0–8% w/v) were used to develop a calibration model. Direct measurements were made by transflection using a reflectance accessory, by transmittance using a 0.5-mm cell, and by reflectance using a fiberglass paper filter. FT-NIR spectral data were transformed to the second derivative. Partial least-squares regression (PLSR) was used to create calibration models that were cross-validated (leave-one-out approach). The prediction ability of the models was evaluated on fruit juices and compared with HPLC and standard enzymatic techniques. The PLSR loading spectra showed characteristic absorption bands for the different sugars. Models generated from transmittance spectra gave the best performance with standard error of prediction (SEP) <0.10% and
R
2 of 99.9% that accurately and precisely predicted the sugar levels in juices, whereas lower precision was obtained with models generated from reflectance spectra. FT-NIR spectroscopy allowed for the rapid (∼3 min analysis time), accurate and non-destructive analysis of sugars in juices and could be applied in quality control of beverages or to monitor for adulteration or contamination.
Simple partial least-squares regression FT-NIR models generated from transmittance spectra reproducibly and precisely predicted the individual sugar content in different juice matrices using an external calibration prepared with sugar standard solutions. The technique allowed for the rapid, accurate, non-destructive and simultaneous analysis of sugars in juices and could be applied in quality control of beverages or to monitor for adulteration and contamination.</description><subject>Beverages - analysis</subject><subject>Beverages - standards</subject><subject>Calibration</subject><subject>Carbohydrates - analysis</subject><subject>Fructose - analysis</subject><subject>Fruit</subject><subject>Fruit juices</subject><subject>FT-NIR spectroscopy</subject><subject>Glucose - analysis</subject><subject>Multivariate analysis</subject><subject>Reference Standards</subject><subject>Reproducibility of Results</subject><subject>Spectroscopy, Fourier Transform Infrared - instrumentation</subject><subject>Spectroscopy, Fourier Transform Infrared - methods</subject><subject>Sucrose - analysis</subject><subject>Sugars</subject><subject>Time Factors</subject><issn>0008-6215</issn><issn>1873-426X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2001</creationdate><recordtype>article</recordtype><recordid>eNqFkE1LBDEMhosoun78BLUn0cNo0um040lE_AJR8AO8lU4nlcruztjuCPvvre6iRw8hBJ4kLw9juwjHCKhOngCgLpTA6hDwCEBIWcAKG2Gty0IK9brKRr_IBttM6T2PoLRaZxuISlcg9IidPdo-tNxO7XieQuKd52l4szHxMOU-DmHG34fgKPFmzq-ei_vbR556crPYJdf182225u040c6yb7GXq8vni5vi7uH69uL8rnCywlnRYkvenwrQjmTZEkrvStfa2sumxBKs1FVTe2xIuLpxQonKNspL6xVZL2S5xQ4Wd_vYfQyUZmYSkqPx2E6pG5LRQgitlchgtQBdTpgiedPHMLFxbhDMtznzY858azGA5secgby3t3wwNBNq_7aWqjKwvwC87Yx9iyGZlyeRD0IulKeYibMFQVnEZ6Bokgs0ddSGmI2Ztgv_hPgC1wKGrA</recordid><startdate>20011101</startdate><enddate>20011101</enddate><creator>Rodriguez-Saona, Luis E.</creator><creator>Fry, Fredrick S.</creator><creator>McLaughlin, Michael A.</creator><creator>Calvey, Elizabeth M.</creator><general>Elsevier Ltd</general><scope>FBQ</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>20011101</creationdate><title>Rapid analysis of sugars in fruit juices by FT-NIR spectroscopy</title><author>Rodriguez-Saona, Luis E. ; Fry, Fredrick S. ; McLaughlin, Michael A. ; Calvey, Elizabeth M.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c451t-d1deff9207ce43de14fc3cda8f4b3130a475b8f1be2c8bc2625ab6f4af6eaf243</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2001</creationdate><topic>Beverages - analysis</topic><topic>Beverages - standards</topic><topic>Calibration</topic><topic>Carbohydrates - analysis</topic><topic>Fructose - analysis</topic><topic>Fruit</topic><topic>Fruit juices</topic><topic>FT-NIR spectroscopy</topic><topic>Glucose - analysis</topic><topic>Multivariate analysis</topic><topic>Reference Standards</topic><topic>Reproducibility of Results</topic><topic>Spectroscopy, Fourier Transform Infrared - instrumentation</topic><topic>Spectroscopy, Fourier Transform Infrared - methods</topic><topic>Sucrose - analysis</topic><topic>Sugars</topic><topic>Time Factors</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Rodriguez-Saona, Luis E.</creatorcontrib><creatorcontrib>Fry, Fredrick S.</creatorcontrib><creatorcontrib>McLaughlin, Michael A.</creatorcontrib><creatorcontrib>Calvey, Elizabeth M.</creatorcontrib><collection>AGRIS</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>Carbohydrate research</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Rodriguez-Saona, Luis E.</au><au>Fry, Fredrick S.</au><au>McLaughlin, Michael A.</au><au>Calvey, Elizabeth M.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Rapid analysis of sugars in fruit juices by FT-NIR spectroscopy</atitle><jtitle>Carbohydrate research</jtitle><addtitle>Carbohydr Res</addtitle><date>2001-11-01</date><risdate>2001</risdate><volume>336</volume><issue>1</issue><spage>63</spage><epage>74</epage><pages>63-74</pages><issn>0008-6215</issn><eissn>1873-426X</eissn><abstract>A simple analytical procedure using FT-NIR and multivariate techniques for the rapid determination of individual sugars in fruit juices was evaluated. Different NIR detection devices and sample preparation methods were tested by using model solutions to determine their analytical performance. Aqueous solutions of sugar mixtures (glucose, fructose, and sucrose; 0–8% w/v) were used to develop a calibration model. Direct measurements were made by transflection using a reflectance accessory, by transmittance using a 0.5-mm cell, and by reflectance using a fiberglass paper filter. FT-NIR spectral data were transformed to the second derivative. Partial least-squares regression (PLSR) was used to create calibration models that were cross-validated (leave-one-out approach). The prediction ability of the models was evaluated on fruit juices and compared with HPLC and standard enzymatic techniques. The PLSR loading spectra showed characteristic absorption bands for the different sugars. Models generated from transmittance spectra gave the best performance with standard error of prediction (SEP) <0.10% and
R
2 of 99.9% that accurately and precisely predicted the sugar levels in juices, whereas lower precision was obtained with models generated from reflectance spectra. FT-NIR spectroscopy allowed for the rapid (∼3 min analysis time), accurate and non-destructive analysis of sugars in juices and could be applied in quality control of beverages or to monitor for adulteration or contamination.
Simple partial least-squares regression FT-NIR models generated from transmittance spectra reproducibly and precisely predicted the individual sugar content in different juice matrices using an external calibration prepared with sugar standard solutions. The technique allowed for the rapid, accurate, non-destructive and simultaneous analysis of sugars in juices and could be applied in quality control of beverages or to monitor for adulteration and contamination.</abstract><cop>Netherlands</cop><pub>Elsevier Ltd</pub><pmid>11675027</pmid><doi>10.1016/S0008-6215(01)00244-0</doi><tpages>12</tpages></addata></record> |
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subjects | Beverages - analysis Beverages - standards Calibration Carbohydrates - analysis Fructose - analysis Fruit Fruit juices FT-NIR spectroscopy Glucose - analysis Multivariate analysis Reference Standards Reproducibility of Results Spectroscopy, Fourier Transform Infrared - instrumentation Spectroscopy, Fourier Transform Infrared - methods Sucrose - analysis Sugars Time Factors |
title | Rapid analysis of sugars in fruit juices by FT-NIR spectroscopy |
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