基于DR-FTIR技术结合biPLS法测定精米粉中的蛋白质含量
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摘要
开发了傅里叶中红外漫反射光谱技术(DR-FTIR)结合向后区间偏最小二乘法(biPLS)快速分析精米中蛋白质含量的分析方法。通过波谱预处理、优化建模区间,系统地比较了DR-FTIR及近红外漫反射红外光谱(DR-NIR)的模型效果。研究结果表明,DR-FTIR、DR-NIR均能快速准确地测定精米中蛋白质含量,但DR-FTIR法灵敏度优于DR-NIR法。BiPLS区间选择结果显示,以1 700～1 400、1 300～1 200、900～600 cm~(-1)波段建模,模型效果最优,其相关系数R为0.990 1,RMSEC和RMSEP分别为0.13、0.25,Y_(预测)=0.99X_(实际)+0.008 2,R=0.992 3,预测值与实际值高度相关。10组外部验证实验相对误差为1.72%,表明预测精确度较高、模型稳定性好,说明DR-FTIR所开发的精米中蛋白质含量的分析模型是可行的。
The analysis method for rapidly determining protein content in milled rice flour by Diffuse Reflectance Fourier transform infrared spectroscopy(DR-FTIR)combined with back interval partial least squares(biPLS)was developed.The effects of DR-FTIR and DR-near infrared spectroscopy(NIR)models were systematically compared by means of spectral pretreatment and optimization of spectral modeling interval.The results showed that both DR-FTIR and DR-NIR were effective in term of rapid determination of the protein content in milled rice flour.However,DR-FTIR method had higher sensitivity than DR-NIR method.The results of biPLS interval selection demonstrated that the best model was obtained based on the 1 700～1 400,1 300～1 200,900～600 cm~(-1) bands,coefficient of correlation R was 0.990 1,RMSEC was 0.13,and RMSEP was 0.25.The DR-FTIR predictive values were highly correlated with the actual values with a regression equation of F_(prediction)=0.99 X_(actuality)+0.008 2,R=0.992 3.The relative standard deviation of 10 groups of external validation tests(1.72%)showed that the model had higher prediction accuracy as well as better stability,and it demonstrated that the analysis model of protein content in milled rice flour developed by DR-FTIR was feasible.
The analysis method for rapidly determining protein content in milled rice flour by Diffuse Reflectance Fourier transform infrared spectroscopy(DR-FTIR)combined with back interval partial least squares(biPLS)was developed.The effects of DR-FTIR and DR-near infrared spectroscopy(NIR)models were systematically compared by means of spectral pretreatment and optimization of spectral modeling interval.The results showed that both DR-FTIR and DR-NIR were effective in term of rapid determination of the protein content in milled rice flour.However,DR-FTIR method had higher sensitivity than DR-NIR method.The results of biPLS interval selection demonstrated that the best model was obtained based on the 1 700～1 400,1 300～1 200,900～600 cm~(-1) bands,coefficient of correlation R was 0.990 1,RMSEC was 0.13,and RMSEP was 0.25.The DR-FTIR predictive values were highly correlated with the actual values with a regression equation of F_(prediction)=0.99 X_(actuality)+0.008 2,R=0.992 3.The relative standard deviation of 10 groups of external validation tests(1.72%)showed that the model had higher prediction accuracy as well as better stability,and it demonstrated that the analysis model of protein content in milled rice flour developed by DR-FTIR was feasible.
引文
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[1 3]杨本志.ATR/FTIR在植物油理化指标检测方面的应用研究[D].杭州:浙江工业大学,2013YANG B Z.Application of ATR/FTIR in determination of vegetable oil physical and chemical indexes[D].Hangzhou:Zhejiang University of Technology,2013
[14]LYONS G,SHARMA S,AUBRY A,et al.A preliminary evaluation of the use of mid infrared spectroscopy to develop calibration equations for determining faecal composition,intake and digestibility in sheep[J].Animal Feed Science&Technology,2016,221:44-53
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[17]MOYASAGHI Z,REHMAN S,REHMAN I.Fourier transform infrared(FTIR)spectroscopy of biological tissues[J].Applied Spectroscopy Reviews,2008,43:134-179
[18]SINELLI N,BENEDETTI S,BOTTEGA G,et al.Evaluation of the optimal cooking time of rice by using FT-NIRspectroscopy and an electronic nose[J].Journal of Cereal Science,2006,44(2):137-143
[19]CHUNG H,KU M S,LEE J S.Comparison of near-infrared and mid-infrared spectroscopy for the determination of distillation property of kerosene[J].Vibrational Spectroscopy,1999,20:155-163
[20](O|¨)ZG(u|¨)LY(u|¨)CEL,S,PROCTOR A.Rice bran FFA determination by diffuse reflectance IR spectroscopy[J].Journal of the American Oil Chemists Society,2004,81(3):221-224
[21]MENG X H,YE Q,NIE X H,et al.Assessment of interval PLS(iPLS)calibration for the determination of peroxide value in edible oils[J].Journal of the American Oil Chemists'Society,2015,92:1405-1412
[22]MENG X H,YE Q,NIE X H,et al.Iodine value determination of edible oils using ATR-FTIR and chemometric methods[J].European Journal of Lipid Science&Technology,2017,119(9):323
[23]吴金红,张洪江,梅捍卫,等.水稻蛋白质含量NIR模型适配范围的研究[J].中国农业科学,2006,39(12):2435-2440WU J H,ZHANG H J,MEI H W,et al.Study on adaptability of NIR models of protein content in rice[J].Scientia Agricultura Sinica,2016,39(12):2435-2400
[24]HIMMELSBACH D S,BARTON F E,MCCLUNG A M,et al.Protein and apparent amylose contents of milled rice by NIR-FT/Raman spectroscopy[J].Cereal Chemistry,2007,78(4):488-492.
[2]XIE L,DUAN B,ZHU Z,et al.Impact of proteins on pasting and cooking properties of waxy and non-waxy rice[J].Journal of Cereal Science,2008,47:372-379
[3]罗玉坤,杨金华.中国特优稻种资源评价[M].北京:中国农业出版社,1998:6-7LUO Y K,YANG J H.Evaluation of special rice germplasm resources in China[M].Beijing:China Agriculture Press,1998:6-7
[4]GENKAWA T,AHAMED T,NOGUCHI R,et al.Simple and rapid determination of free fatty acids in brown rice by FTIR spectroscopy in conjunction with a second-derivative treatment[J].Food Chemistry,2016,191:7-11
[5]XIE L H,TANG S Q,CHEN N,et al.Optimisation of near-infrared reflectance model in measuring protein and amylose content of rice flour[J].Food Chemistry,2014,142:92-100
[6]LAGAT R C,MAWIA A M,WAMBUA F K,et al.Physicochemical characterization of selected rice(Oryza Sativa L.)genotypes based on gel consistency and alkali digestion[J].Biochemistry&Analytical Biochemistry,2016,5:3-4
[7]SOHN M,HIMMELSBAC.H D S,BARTON F E.A comparative study of Fourier transform Raman and NIR spectroscopic methods for assessment of protein and apparent amylase in rice[J].Cereal Chemistry,2004,81(4):429-433
[8]俞法明,陆艳婷,严文潮,等.用近红外光谱技术快速测定籼稻品种的蛋白质含量[J].中国粮油学报,2009,24(5):134-138YU F M,LU Y T,YAN W C,et al.Rapid determination of protein content in long grain rice by near infrared spectroscopy[J].Journal of the Chinese Cereals and Oils Association,2009,24(5):134-138
[9]谢新华,肖昕,李晓方,等.单粒糙米蛋白质含量的近红外分析数学模型[J].农业机械学报,2006,37(8):120-122XIE X H,XIAO X,LI X F,et al.Mathematic models for analyzing protein content in single brown rice withnear infrared spectroscopy[J].Transaction of the Chinese Society for Agriculture Machinery,2006,37(8):120-122
[10]GREWAL M K,HUPPERTZ T,VASILJEYIC T.FTIR fingerprinting of structural changes of milk proteins induced by heat treatment,deamidation and dephosphorylation[J].Food Hydrocolloids,2018,80:160-167
[11]SAUDLAND A,WAGENR J,NIELSEN J P,et al.Interval partial least-squares regression(iPLS):A comparative chemometric study with an example from near-infrared spectroscopy[J].Applied Spectroscopy,2000,54(3):413-419
[12]LEARDI R,N(?)RGAARD L.Sequential application of backward interval partial least squares and genetic algorithms for the selection of relevant spectral regions[J].Journal of Chemometrics,2004,18(11):486-497
[1 3]杨本志.ATR/FTIR在植物油理化指标检测方面的应用研究[D].杭州:浙江工业大学,2013YANG B Z.Application of ATR/FTIR in determination of vegetable oil physical and chemical indexes[D].Hangzhou:Zhejiang University of Technology,2013
[14]LYONS G,SHARMA S,AUBRY A,et al.A preliminary evaluation of the use of mid infrared spectroscopy to develop calibration equations for determining faecal composition,intake and digestibility in sheep[J].Animal Feed Science&Technology,2016,221:44-53
[15]GLASSFORD S E,BYRNE B,KAZARIAN S G.Recent applications of ATR FTIR spectroscopy and imaging to proteins[J].Biochimica et Biophysica Acta,2013,1834:2849-2858
[16]SHAO Y N,CEN Y L,HE Y,et al.Infrared spectroscopy and chemometrics for the starch and protein prediction in irradiated rice[J].Food Chemistry,2011,126:1856-1861
[17]MOYASAGHI Z,REHMAN S,REHMAN I.Fourier transform infrared(FTIR)spectroscopy of biological tissues[J].Applied Spectroscopy Reviews,2008,43:134-179
[18]SINELLI N,BENEDETTI S,BOTTEGA G,et al.Evaluation of the optimal cooking time of rice by using FT-NIRspectroscopy and an electronic nose[J].Journal of Cereal Science,2006,44(2):137-143
[19]CHUNG H,KU M S,LEE J S.Comparison of near-infrared and mid-infrared spectroscopy for the determination of distillation property of kerosene[J].Vibrational Spectroscopy,1999,20:155-163
[20](O|¨)ZG(u|¨)LY(u|¨)CEL,S,PROCTOR A.Rice bran FFA determination by diffuse reflectance IR spectroscopy[J].Journal of the American Oil Chemists Society,2004,81(3):221-224
[21]MENG X H,YE Q,NIE X H,et al.Assessment of interval PLS(iPLS)calibration for the determination of peroxide value in edible oils[J].Journal of the American Oil Chemists'Society,2015,92:1405-1412
[22]MENG X H,YE Q,NIE X H,et al.Iodine value determination of edible oils using ATR-FTIR and chemometric methods[J].European Journal of Lipid Science&Technology,2017,119(9):323
[23]吴金红,张洪江,梅捍卫,等.水稻蛋白质含量NIR模型适配范围的研究[J].中国农业科学,2006,39(12):2435-2440WU J H,ZHANG H J,MEI H W,et al.Study on adaptability of NIR models of protein content in rice[J].Scientia Agricultura Sinica,2016,39(12):2435-2400
[24]HIMMELSBACH D S,BARTON F E,MCCLUNG A M,et al.Protein and apparent amylose contents of milled rice by NIR-FT/Raman spectroscopy[J].Cereal Chemistry,2007,78(4):488-492.