Using partial least squares regression and multiplicative scatter correction for FT-NIR data evaluation of wheat flours

Jaana Sorvaniemi, Arvo Kinnunen, Andrew Tsados, Yrjö Mälkki

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Abstract

Scanning Fourier transform near infrared reflectance (FT-NIR) spectroscopy was used to record spectra of roller and commercial milled wheat flours (varieties and mixtures). Partial least squares (PLS) regression of multiplicative scatter corrected (MSC) NIR data was carried out. Correlations to moisture, protein, wet gluten, water absorption and falling number were studied. Promising correlations to these parameters except falling number were obtained for both types of milled samples. Explanation factors (R2) and standard errors of prediction (SEP) in the roller milled flours were as follows: moisture R2 = 0.97 and SEP = O.16 g/100 g; protein R2 = 0.92 and SEP = 0.40 g/100 g d.b. (dry basis); wet gluten R2 = 0.89 and SEP = 1.37 g/100 g; and water absorption R2 = 0.83 and SEP = 0.84 g/100 g. The explanation factor of predicted falling numbers to the actual values of the roller milled flours remained lower than 0.5. Explanation factors and SEP in the commercial milled flours were as follows: moisture R2 = 0.85 and SEP = 0.19 g/100 g; protein R2 = 0.91 and SEP = 0.63 g/100 g d.b.; wet gluten R2 = 0.87 and SEP = 2.22 g/100 g; water absorption R2 = 0.88 and SEP = 1.10 g/100 g; and falling number R2 = 0.55 and SEP = 28.2.

Original languageEnglish
Pages (from-to)251 - 258
Number of pages8
JournalLWT - Food Science and Technology
Volume26
Issue number3
DOIs
Publication statusPublished - 1993
MoE publication typeA1 Journal article-refereed

Fingerprint

Flour
Fourier Analysis
Least-Squares Analysis
wheat flour
Triticum
reflectance
least squares
Glutens
prediction
falling number
Water
Near-Infrared Spectroscopy
gluten
water uptake
flour
Proteins
proteins
near-infrared spectroscopy

Cite this

Sorvaniemi, Jaana ; Kinnunen, Arvo ; Tsados, Andrew ; Mälkki, Yrjö. / Using partial least squares regression and multiplicative scatter correction for FT-NIR data evaluation of wheat flours. In: LWT - Food Science and Technology. 1993 ; Vol. 26, No. 3. pp. 251 - 258.
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title = "Using partial least squares regression and multiplicative scatter correction for FT-NIR data evaluation of wheat flours",
abstract = "Scanning Fourier transform near infrared reflectance (FT-NIR) spectroscopy was used to record spectra of roller and commercial milled wheat flours (varieties and mixtures). Partial least squares (PLS) regression of multiplicative scatter corrected (MSC) NIR data was carried out. Correlations to moisture, protein, wet gluten, water absorption and falling number were studied. Promising correlations to these parameters except falling number were obtained for both types of milled samples. Explanation factors (R2) and standard errors of prediction (SEP) in the roller milled flours were as follows: moisture R2 = 0.97 and SEP = O.16 g/100 g; protein R2 = 0.92 and SEP = 0.40 g/100 g d.b. (dry basis); wet gluten R2 = 0.89 and SEP = 1.37 g/100 g; and water absorption R2 = 0.83 and SEP = 0.84 g/100 g. The explanation factor of predicted falling numbers to the actual values of the roller milled flours remained lower than 0.5. Explanation factors and SEP in the commercial milled flours were as follows: moisture R2 = 0.85 and SEP = 0.19 g/100 g; protein R2 = 0.91 and SEP = 0.63 g/100 g d.b.; wet gluten R2 = 0.87 and SEP = 2.22 g/100 g; water absorption R2 = 0.88 and SEP = 1.10 g/100 g; and falling number R2 = 0.55 and SEP = 28.2.",
author = "Jaana Sorvaniemi and Arvo Kinnunen and Andrew Tsados and Yrj{\"o} M{\"a}lkki",
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Using partial least squares regression and multiplicative scatter correction for FT-NIR data evaluation of wheat flours. / Sorvaniemi, Jaana; Kinnunen, Arvo; Tsados, Andrew; Mälkki, Yrjö.

In: LWT - Food Science and Technology, Vol. 26, No. 3, 1993, p. 251 - 258.

Research output: Contribution to journalArticleScientificpeer-review

TY - JOUR

T1 - Using partial least squares regression and multiplicative scatter correction for FT-NIR data evaluation of wheat flours

AU - Sorvaniemi, Jaana

AU - Kinnunen, Arvo

AU - Tsados, Andrew

AU - Mälkki, Yrjö

PY - 1993

Y1 - 1993

N2 - Scanning Fourier transform near infrared reflectance (FT-NIR) spectroscopy was used to record spectra of roller and commercial milled wheat flours (varieties and mixtures). Partial least squares (PLS) regression of multiplicative scatter corrected (MSC) NIR data was carried out. Correlations to moisture, protein, wet gluten, water absorption and falling number were studied. Promising correlations to these parameters except falling number were obtained for both types of milled samples. Explanation factors (R2) and standard errors of prediction (SEP) in the roller milled flours were as follows: moisture R2 = 0.97 and SEP = O.16 g/100 g; protein R2 = 0.92 and SEP = 0.40 g/100 g d.b. (dry basis); wet gluten R2 = 0.89 and SEP = 1.37 g/100 g; and water absorption R2 = 0.83 and SEP = 0.84 g/100 g. The explanation factor of predicted falling numbers to the actual values of the roller milled flours remained lower than 0.5. Explanation factors and SEP in the commercial milled flours were as follows: moisture R2 = 0.85 and SEP = 0.19 g/100 g; protein R2 = 0.91 and SEP = 0.63 g/100 g d.b.; wet gluten R2 = 0.87 and SEP = 2.22 g/100 g; water absorption R2 = 0.88 and SEP = 1.10 g/100 g; and falling number R2 = 0.55 and SEP = 28.2.

AB - Scanning Fourier transform near infrared reflectance (FT-NIR) spectroscopy was used to record spectra of roller and commercial milled wheat flours (varieties and mixtures). Partial least squares (PLS) regression of multiplicative scatter corrected (MSC) NIR data was carried out. Correlations to moisture, protein, wet gluten, water absorption and falling number were studied. Promising correlations to these parameters except falling number were obtained for both types of milled samples. Explanation factors (R2) and standard errors of prediction (SEP) in the roller milled flours were as follows: moisture R2 = 0.97 and SEP = O.16 g/100 g; protein R2 = 0.92 and SEP = 0.40 g/100 g d.b. (dry basis); wet gluten R2 = 0.89 and SEP = 1.37 g/100 g; and water absorption R2 = 0.83 and SEP = 0.84 g/100 g. The explanation factor of predicted falling numbers to the actual values of the roller milled flours remained lower than 0.5. Explanation factors and SEP in the commercial milled flours were as follows: moisture R2 = 0.85 and SEP = 0.19 g/100 g; protein R2 = 0.91 and SEP = 0.63 g/100 g d.b.; wet gluten R2 = 0.87 and SEP = 2.22 g/100 g; water absorption R2 = 0.88 and SEP = 1.10 g/100 g; and falling number R2 = 0.55 and SEP = 28.2.

U2 - 10.1006/fstl.1993.1053

DO - 10.1006/fstl.1993.1053

M3 - Article

VL - 26

SP - 251

EP - 258

JO - LWT - Food Science and Technology

JF - LWT - Food Science and Technology

SN - 0023-6438

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ER -