近红外光谱结合偏最小二乘法快速检测大黄鱼新鲜度
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摘要
将近红外光谱技术和化学计量学相结合分析大黄鱼新鲜度指标K值。大黄鱼原始光谱经多元散色校正,联合区间偏最小二乘法(siPLS)优化建模区域,建立新鲜度分析模型,并与经典偏最小二乘法模型和间隔偏最小二乘法模型相比较。结果表明,当采用联合区间偏最小二乘法将全光谱划分为16个区间,2个子区间联合(2,3)时,建立的siPLS模型预测效果最好,其交互验证均方根误差(RMSECV)和预测均方根误差(RMSEP)分别为3.63和3.49,校正集和预测集的相关系数分别为0.98059和0.91287。利用联合区间偏最小二乘算法,可有效地减少建模所用变量数,实现大黄鱼新鲜度的快速检测。
Near infrared spectroscopy technique combined with chemometrics methods was applied to predict K value of large yellow croaker(Pseudosciaena crocea).The raw spectra of large yellow croaker was preprocessed by multiplicative scatter correction(MSC),synergy interval partial least squares(siPLS) algorithm was used to optimize the modeling ranges and established better predictive model.And then that model was compared with the models established by classical partial least squares(PLS) and interval PLS(iPLS) algorithm.The results showed that the siPLS model was the best,the optimal model was obtained by separating the whole spectra into 16 sub-intervals and combined two sub-range(2,3),the RMSECV and RMSEP were 3.63 and 3.49,calibration and prediction correlation coefficient of 0.98059 and 0.91287.This study demonstrated that synergy interval partial least squares(siPLS) algorithm could effectively reduced variable number,rapidly predict K value in large yellow croaker.
Near infrared spectroscopy technique combined with chemometrics methods was applied to predict K value of large yellow croaker(Pseudosciaena crocea).The raw spectra of large yellow croaker was preprocessed by multiplicative scatter correction(MSC),synergy interval partial least squares(siPLS) algorithm was used to optimize the modeling ranges and established better predictive model.And then that model was compared with the models established by classical partial least squares(PLS) and interval PLS(iPLS) algorithm.The results showed that the siPLS model was the best,the optimal model was obtained by separating the whole spectra into 16 sub-intervals and combined two sub-range(2,3),the RMSECV and RMSEP were 3.63 and 3.49,calibration and prediction correlation coefficient of 0.98059 and 0.91287.This study demonstrated that synergy interval partial least squares(siPLS) algorithm could effectively reduced variable number,rapidly predict K value in large yellow croaker.
引文
[1]杨文鸽,薛长湖,徐大伦,Automatic freshness assessment of cod(Gadus morhua)fillets by Vis/Nir spectroscopy等.大黄鱼冰藏期间ATP关联物含量变化及其鲜度评价[J].农业工程学报,2007,23(6):217-222.
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[3]Downey G.Non-invasive and non-destructive percutaneous analysis of farmed salmon flesh by near infra-red spec-troscopy[J].Food Chem.,1996,55(3):305-311.
[4]Wold JP,Isaksson T.Non-destructive determination of fat and moisture in whole Atlantic salmon by near-infrared diffuse spectroscopy[J].J Food Sci,1997,62(4):734-736.
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[6]Nortvedt R,Torrissen OJ,Tuene S.Application of near-infrared transmittance spectroscopy in the determination of fat,protein and dry matter in Atlantic halibut fillet[J].Chemometrics and Intelligent Lab Systems,1998,42:199-207.
[7]Jrgensen BM,Jensen HS.Can near-infrared spectrometry be used to measure quality attributes in frozen cod?[M]//Luten JB,Brresen T,Oehlenschlager J,editors.Seafood from producer to consumer,Integrated approach to quali-ty.Amsterdam:Elsevier Science,1997:491-496.
[8]Bechmann IE,Jrgensen BM.Rapid assessment of quality parameters for frozen cod using near infrared spectroscopy[J].Lebensm.-Wiss u-Technol,1998,31:648-652.
[9]Sigernes F,Esaiassen M,Heia K,et al.Assessment of fish(cod)freshness by VIS/NIR spectroscopy[M]//Olafsd¨ttir G,Luten J,Dalgaard P,et al,editors.Methods to evaluate fish freshness in research and industry.Paris:Inter-national Institute of Refrigeration(IIR),1997:369-375.
[10]H.Nilsen,M.Esaiassen,K.Heia,et al.Visible/Near-infrared spectroscopy:A new tool for the evaluation of fish freshness?[J].Journal of Food Science,2002,67(5):1821-1826.
[11]Musleh Uddin,Emiko Okazaki,Sandor Turza,et al.Non-destructive visible/NIR spectroscopy for differentiation of fresh and frozen-thawed fish[J].Journal of Food Science,2005,70(8):506-510.
[12]Agnar H.Sivertsen,Takashi Kimiya,Karsten Heia.Automatic freshness assessment of cod(Gadus morhua)fillets by Vis/Nir spectroscopy[J].Journal of Food Engineering,2011,103(3):317-323
[13]Niels Bkns,Kristina N.Jensen,Charlotte M.Andersen,et al.freshness assessment of thawed and chilled cod fil-lets packed in modified atmosphere using near-infrared spectroscopyp[J].Lebensm-Wiss.u.-Technol.,2002,35,628-634.
[14]John M R.Determination of adenosine triphosphate and its breakdown products in fish muscle by high-performance liquid chromatography[J].Journal of Agricultural and Food Chemistry,1985,33:678-680.
[15]李罡风,赵楠,金艳.肖维纳(Chauvenet)准则在数字化气体流量观测数据中的应用[J].地震地磁观测与研究,2010,(4):39-43.
[16]陆婉珍,袁洪福,徐广通,等.现代近红外光谱分析技术[M].北京:中国石化出版社,2000.
[17]Nrgaard L,Saudiand A,Wagner J.Interval partial Least Squares Regression(iPLS):a comparative chemo metric study with an example from near-infrared spectroscopy[J].Applied Spectroscopy,2000,54:413-419.
[18]Leardi R,Nrgaard L.Sequential application of backward interval PLS and genetic algorithms for the selection of relevant spectral regions[J].Journal of Chemometrics,2004,18(11):486-497.
[19]栾东磊.近红光谱分析技术在几种水产品中的应用研究[D].青岛:中国海洋大学,2009.
[2]Zhang HZ,Lee TC.Rapid near-infrared spectroscopic method for the determination of free fatty acid in fish and its application in fish quality assessment[J].J Agric Food Chem.,1997,45(9):3515-3521.
[3]Downey G.Non-invasive and non-destructive percutaneous analysis of farmed salmon flesh by near infra-red spec-troscopy[J].Food Chem.,1996,55(3):305-311.
[4]Wold JP,Isaksson T.Non-destructive determination of fat and moisture in whole Atlantic salmon by near-infrared diffuse spectroscopy[J].J Food Sci,1997,62(4):734-736.
[5]Wold JP,Jakobsen T,Krane L.Atlantic salmon average fat content estimated by near-infrared transmittance spec-troscopy[J].J Food Sci,1996,66(1):74-77.
[6]Nortvedt R,Torrissen OJ,Tuene S.Application of near-infrared transmittance spectroscopy in the determination of fat,protein and dry matter in Atlantic halibut fillet[J].Chemometrics and Intelligent Lab Systems,1998,42:199-207.
[7]Jrgensen BM,Jensen HS.Can near-infrared spectrometry be used to measure quality attributes in frozen cod?[M]//Luten JB,Brresen T,Oehlenschlager J,editors.Seafood from producer to consumer,Integrated approach to quali-ty.Amsterdam:Elsevier Science,1997:491-496.
[8]Bechmann IE,Jrgensen BM.Rapid assessment of quality parameters for frozen cod using near infrared spectroscopy[J].Lebensm.-Wiss u-Technol,1998,31:648-652.
[9]Sigernes F,Esaiassen M,Heia K,et al.Assessment of fish(cod)freshness by VIS/NIR spectroscopy[M]//Olafsd¨ttir G,Luten J,Dalgaard P,et al,editors.Methods to evaluate fish freshness in research and industry.Paris:Inter-national Institute of Refrigeration(IIR),1997:369-375.
[10]H.Nilsen,M.Esaiassen,K.Heia,et al.Visible/Near-infrared spectroscopy:A new tool for the evaluation of fish freshness?[J].Journal of Food Science,2002,67(5):1821-1826.
[11]Musleh Uddin,Emiko Okazaki,Sandor Turza,et al.Non-destructive visible/NIR spectroscopy for differentiation of fresh and frozen-thawed fish[J].Journal of Food Science,2005,70(8):506-510.
[12]Agnar H.Sivertsen,Takashi Kimiya,Karsten Heia.Automatic freshness assessment of cod(Gadus morhua)fillets by Vis/Nir spectroscopy[J].Journal of Food Engineering,2011,103(3):317-323
[13]Niels Bkns,Kristina N.Jensen,Charlotte M.Andersen,et al.freshness assessment of thawed and chilled cod fil-lets packed in modified atmosphere using near-infrared spectroscopyp[J].Lebensm-Wiss.u.-Technol.,2002,35,628-634.
[14]John M R.Determination of adenosine triphosphate and its breakdown products in fish muscle by high-performance liquid chromatography[J].Journal of Agricultural and Food Chemistry,1985,33:678-680.
[15]李罡风,赵楠,金艳.肖维纳(Chauvenet)准则在数字化气体流量观测数据中的应用[J].地震地磁观测与研究,2010,(4):39-43.
[16]陆婉珍,袁洪福,徐广通,等.现代近红外光谱分析技术[M].北京:中国石化出版社,2000.
[17]Nrgaard L,Saudiand A,Wagner J.Interval partial Least Squares Regression(iPLS):a comparative chemo metric study with an example from near-infrared spectroscopy[J].Applied Spectroscopy,2000,54:413-419.
[18]Leardi R,Nrgaard L.Sequential application of backward interval PLS and genetic algorithms for the selection of relevant spectral regions[J].Journal of Chemometrics,2004,18(11):486-497.
[19]栾东磊.近红光谱分析技术在几种水产品中的应用研究[D].青岛:中国海洋大学,2009.
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