Exploring the Use of NIR Reflectance Spectroscopy in Prediction of Free L-Asparagine in Solanaceae Plants
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- 英文论文题名：Exploring the Use of NIR Reflectance Spectroscopy in Prediction of Free L-Asparagine in Solanaceae Plants
- 论文作者：Du Guorong ; Liu Jiahong ; Ma Yanjun ; Ma Li ; Zhou Jun ; Huang Yue
- 英文论文作者：Du Guorong ; Liu Jiahong ; Ma Yanjun ; Ma Li ; Zhou Jun ; Huang Yue ; Beijing Third Class Supervision Station of Tobacco ; College of Science ; China Agricultural University
- 年：2016
- 作者机构：Beijing Third Class Supervision Station of Tobacco;College of Science, China Agricultural University;
- 英文论文关键词：L-Asparagine ; Near-infrared spectroscopy ; Chemometrics modeling
- 会议召开时间：2016-12-01
- 会议录名称：中国烟草学会2016年度优秀论文汇编——烟草工业主题
- 语种：英文
- 分类号：Q946
- 学会代码：ZGYG
- 学会名称：中国烟草学会
- 页数：21
- 文件大小：671k
- 原文格式：D
摘要
Much researches of Near-infrared spectroscopy modeling methods that are utilized to analyze the trace amount components, especially indirect modeling on complex system, have gained widely attraction in recent years. Amino acids in plants are essential nutrients of maintaining growth and ensuring health. As the important participants in various biochemical reactions in plants, nondestructive detection of free amino acids will provide meaningful observation on physiological changing in different steps of plant growth. In this research, two hundred and twenty-two samples were measured to obtain the concentration of free L-Asparagine in plant by amino acid analyzer. NIR spectra were also collected for conducting chemometrics modeling.Different spectral pretreatments and variables selecting methods were employed to optimize the NIR models. Independent validation set as well as unknown samples from different years were successfully predicted by using the slope intercept correction. Results in this study demonstrated that fast analysis of free L-Asparagine can be established by NIR modeling approach.
Much researches of Near-infrared spectroscopy modeling methods that are utilized to analyze the trace amount components, especially indirect modeling on complex system, have gained widely attraction in recent years. Amino acids in plants are essential nutrients of maintaining growth and ensuring health. As the important participants in various biochemical reactions in plants, nondestructive detection of free amino acids will provide meaningful observation on physiological changing in different steps of plant growth. In this research, two hundred and twenty-two samples were measured to obtain the concentration of free L-Asparagine in plant by amino acid analyzer. NIR spectra were also collected for conducting chemometrics modeling.Different spectral pretreatments and variables selecting methods were employed to optimize the NIR models. Independent validation set as well as unknown samples from different years were successfully predicted by using the slope intercept correction. Results in this study demonstrated that fast analysis of free L-Asparagine can be established by NIR modeling approach.
Much researches of Near-infrared spectroscopy modeling methods that are utilized to analyze the trace amount components, especially indirect modeling on complex system, have gained widely attraction in recent years. Amino acids in plants are essential nutrients of maintaining growth and ensuring health. As the important participants in various biochemical reactions in plants, nondestructive detection of free amino acids will provide meaningful observation on physiological changing in different steps of plant growth. In this research, two hundred and twenty-two samples were measured to obtain the concentration of free L-Asparagine in plant by amino acid analyzer. NIR spectra were also collected for conducting chemometrics modeling.Different spectral pretreatments and variables selecting methods were employed to optimize the NIR models. Independent validation set as well as unknown samples from different years were successfully predicted by using the slope intercept correction. Results in this study demonstrated that fast analysis of free L-Asparagine can be established by NIR modeling approach.
引文
[1]H.Zhang,Z.Y.Wang,X.Yang,H.T.Zhao,Determination of free amino acids and18 elements in freeze-dried strawberry and blueberry fruit using an Amino Acid Analyzer and ICP-MS with micro-wave digestion.Food Chem.147(2014)189–194.
[2]H.Kaspar,K.Dettmer,Q.Chan,S.Daniels,P.J.Oefner.Urinary amino acid analysis:A comparison of i TRAQ–LC–MS/MS,GC–MS,and amino acid analyzer.J.Chromatogr.B,877(2009)1838–1846.
[3]M.Lorenzo,D.Dudzika,E.Varas,M.Gibellini,A.García,Optimization and validation of a chiral GC–MS method for the determination of free d-amino acids ratio in human urine:application to a gestational diabetes mellitus study.J.Pharm.Biomed.Anal.107(2015)480–487.
[4]C.Pasquini.Near infrared spectroscopy:fundamentals,practical aspects and analytical applications.J.Brazil.Chem.Soc.14(2003)198–219.
[5]R.M.Balabin,R.Z.Safieva,E.I.Lomakina,Comparison of linear and nonlinear calibration models based on near infrared(NIR)spectroscopy data for gasoline properties prediction.Chemometr.Intel.Lab.Syst.88(2007)183–188.
[6]I.Esteban-Diez,J.M.Gonzalez-saiz,C.Pizarro,An evaluation of orthogonal signal correction methods for the characterization of Arabica and robusta coffee varieties by NIRS,Anal.Chim.Acta.514(2004)57–67.
[7]R.Karoui,J.de Baerdemaeker,A review of the analytical methods coupled with chemometric tools for the determination of the quality and identity of dairy products.Food Chem.102(2007)621-640.
[8]Y.Ozaki,W.F.Mc Clure,A.A.Christy,Near-Infrared spectroscopy in food science and technology,John Wiley&Sons,Inc.,Hoboken,NJ,2007.
[9]S.Ciavarella,G.D.Batten,A.Blakeney,Measuring potassium in plant tissues using near infrared spectroscopy.J.Near.Infrared.Spec.6(1998)63–66.
[10]R.A.Hallett,J.W.Hornbeck,M.E.Martin,Predicting elements in white pine and red oak foliage with visible-near infrared reflectance spectroscopy.J.Near.Infrared.Spec.5(1997)77–82.
[11]R.M.Balabin,E.I.Lomakina,R.Z.Safieva,Neural network(ANN)approach to biodiesel analysis:Analysis of biodiesel density,kinematic viscosity,methanol and water contents using near infrared(NIR)spectroscopy.Fuel,90(2011)2007–2015.
[12]C.Pasquini,A.F.Bueno,Characterization of petroleum using near-infrared spectroscopy:Quantitative modeling for the true boiling point curve and specific gravity.Fuel,86(2007)1927-1934.
[13]Y.Dou,Y.Sun,Y.Q.Ren,P.Ju,Y.L.Ren,Simultaneous non-destructive determination of two components of combined paracetamol and amantadine hydrochloride in tablets and powder by NIR spectroscopy and artificial neural networks,J.Pharm.Biomed.Anal.37(2005)543–549.
[14]J.Moros,S.Garrigues,M.de Guardia,Vibrational spectroscopy provides a green tool for multi-component analysis.Trac-Trends.Anal.Chem,29(2010)578-591.
[15]J.Moros,I.Llorca,M.L.Cervera,Chemometric determination of arsenic and lead in untreated powdered red paprika by diffuse reflectance near-infrared spectroscopy.Anal.Chim.Acta,613(2008)196-206.
[16]C.W.Chang,D.A.Laird,M.J.Mausbach,Near-infrared reflectance spectroscopy principal components regression analyses of soil properties.Soil.Sci.Soc.Am.J,65(2001)480-490.
[17]R.Font,M.D.Rio-Celestino,D.Velez,Visible and near-infrared spectroscopy as a technique for screening the inorganic arsenic content in the red crayfish(Procambarus clarkii Girard).Anal Chem,76(2004)3893-3898.
[18]R.Font,D.Velez,M.D.Rio-Celestino,Screening inorganic arsenic in rice by visible and near-infrared spectroscopy.Microchim.Acta,151(2005)231-239.
[19]D.Cozzolino,M.J.Kwiatkowski,R.G.Dambergs,Analysis of elements in wine using near infrared spectroscopy and partial least squares regression.Talanta,74(2008)711-716.
[20]H.W.Siesler,Y.Ozaki,S.Kawata,H.M.Heise,Near-infrared spectroscopy principles,instruments,applications.Wiley-VCH,Weinheim(2002).
[21]P.Robert,M.F.Devaux,N.Mouhous,E.Dufour,Monitoring the secondary structure of proteins by near-infrared spectroscopy.Appl.Spectrosc.53(1999)226-232.
[22]S.J.Bai,R.Nayar,J.F.Carpenter,M.C.Manning,Noninvasive determination of protein conformation in the solid state using near infrared(NIR)spectroscopy.J.Pharm.Sci.94(2005)2030-2038.
[23]Y.Wang,K.Murayama,Y.Myojo,R.Tsenkova,N.Hayashi,Y.Ozaki,Two-dimensional Fourier transform near-infrared spectroscopy study of heat denaturation of ovalbumin in aqueous solutions.J.Phys.Chem.B.,102(1998)6655-6662.
[24]Y.Q.Wu,B.Czarnik-Matusewicz,K.Murayama,Y.Ozaki,Two-dimensional near-infrared spectroscopy study of human serum albumin in aqueous solutions:Using overtones and combination modes to monitor temperature-dependent changes in the secondary structure.J.Phys.Chem.B.104(2000)5840-5847.
[25]N.Heigl,C.W.Huck,M.Rainer,M.Najam-ul-Haq,G.K.Bonn,Near infrared spectroscopy,cluster and multivariate analysis hyphenated to thin layer chromatography for the analysis of amino acids.Amino Acids.31(2006)45-53.
[26]D.Wu,Y.He,J.H.Shi,S.J.Feng,Exploring near and midinfrared spectroscopy to predict trace iron and zinc contents in powdered milk.J.Agric.Food Chem.,57(2009)1697-1704.
[27]V.Centner,D.L.Massart,O.E.Noord,S.de Jong,B.M.Vandeginste,C.Sterna,Elimination of uninformative variables for multivariate calibration.Anal Chem.,68(1996)3851-3858.
[28]H.Li,Y.Liang,Q.Xu,D.Cao,Key wavelengths screening using competitive adaptive reweighted sampling method for multivariate calibration.Anal.Chim.Acta,648(2009)77-84.
[2]H.Kaspar,K.Dettmer,Q.Chan,S.Daniels,P.J.Oefner.Urinary amino acid analysis:A comparison of i TRAQ–LC–MS/MS,GC–MS,and amino acid analyzer.J.Chromatogr.B,877(2009)1838–1846.
[3]M.Lorenzo,D.Dudzika,E.Varas,M.Gibellini,A.García,Optimization and validation of a chiral GC–MS method for the determination of free d-amino acids ratio in human urine:application to a gestational diabetes mellitus study.J.Pharm.Biomed.Anal.107(2015)480–487.
[4]C.Pasquini.Near infrared spectroscopy:fundamentals,practical aspects and analytical applications.J.Brazil.Chem.Soc.14(2003)198–219.
[5]R.M.Balabin,R.Z.Safieva,E.I.Lomakina,Comparison of linear and nonlinear calibration models based on near infrared(NIR)spectroscopy data for gasoline properties prediction.Chemometr.Intel.Lab.Syst.88(2007)183–188.
[6]I.Esteban-Diez,J.M.Gonzalez-saiz,C.Pizarro,An evaluation of orthogonal signal correction methods for the characterization of Arabica and robusta coffee varieties by NIRS,Anal.Chim.Acta.514(2004)57–67.
[7]R.Karoui,J.de Baerdemaeker,A review of the analytical methods coupled with chemometric tools for the determination of the quality and identity of dairy products.Food Chem.102(2007)621-640.
[8]Y.Ozaki,W.F.Mc Clure,A.A.Christy,Near-Infrared spectroscopy in food science and technology,John Wiley&Sons,Inc.,Hoboken,NJ,2007.
[9]S.Ciavarella,G.D.Batten,A.Blakeney,Measuring potassium in plant tissues using near infrared spectroscopy.J.Near.Infrared.Spec.6(1998)63–66.
[10]R.A.Hallett,J.W.Hornbeck,M.E.Martin,Predicting elements in white pine and red oak foliage with visible-near infrared reflectance spectroscopy.J.Near.Infrared.Spec.5(1997)77–82.
[11]R.M.Balabin,E.I.Lomakina,R.Z.Safieva,Neural network(ANN)approach to biodiesel analysis:Analysis of biodiesel density,kinematic viscosity,methanol and water contents using near infrared(NIR)spectroscopy.Fuel,90(2011)2007–2015.
[12]C.Pasquini,A.F.Bueno,Characterization of petroleum using near-infrared spectroscopy:Quantitative modeling for the true boiling point curve and specific gravity.Fuel,86(2007)1927-1934.
[13]Y.Dou,Y.Sun,Y.Q.Ren,P.Ju,Y.L.Ren,Simultaneous non-destructive determination of two components of combined paracetamol and amantadine hydrochloride in tablets and powder by NIR spectroscopy and artificial neural networks,J.Pharm.Biomed.Anal.37(2005)543–549.
[14]J.Moros,S.Garrigues,M.de Guardia,Vibrational spectroscopy provides a green tool for multi-component analysis.Trac-Trends.Anal.Chem,29(2010)578-591.
[15]J.Moros,I.Llorca,M.L.Cervera,Chemometric determination of arsenic and lead in untreated powdered red paprika by diffuse reflectance near-infrared spectroscopy.Anal.Chim.Acta,613(2008)196-206.
[16]C.W.Chang,D.A.Laird,M.J.Mausbach,Near-infrared reflectance spectroscopy principal components regression analyses of soil properties.Soil.Sci.Soc.Am.J,65(2001)480-490.
[17]R.Font,M.D.Rio-Celestino,D.Velez,Visible and near-infrared spectroscopy as a technique for screening the inorganic arsenic content in the red crayfish(Procambarus clarkii Girard).Anal Chem,76(2004)3893-3898.
[18]R.Font,D.Velez,M.D.Rio-Celestino,Screening inorganic arsenic in rice by visible and near-infrared spectroscopy.Microchim.Acta,151(2005)231-239.
[19]D.Cozzolino,M.J.Kwiatkowski,R.G.Dambergs,Analysis of elements in wine using near infrared spectroscopy and partial least squares regression.Talanta,74(2008)711-716.
[20]H.W.Siesler,Y.Ozaki,S.Kawata,H.M.Heise,Near-infrared spectroscopy principles,instruments,applications.Wiley-VCH,Weinheim(2002).
[21]P.Robert,M.F.Devaux,N.Mouhous,E.Dufour,Monitoring the secondary structure of proteins by near-infrared spectroscopy.Appl.Spectrosc.53(1999)226-232.
[22]S.J.Bai,R.Nayar,J.F.Carpenter,M.C.Manning,Noninvasive determination of protein conformation in the solid state using near infrared(NIR)spectroscopy.J.Pharm.Sci.94(2005)2030-2038.
[23]Y.Wang,K.Murayama,Y.Myojo,R.Tsenkova,N.Hayashi,Y.Ozaki,Two-dimensional Fourier transform near-infrared spectroscopy study of heat denaturation of ovalbumin in aqueous solutions.J.Phys.Chem.B.,102(1998)6655-6662.
[24]Y.Q.Wu,B.Czarnik-Matusewicz,K.Murayama,Y.Ozaki,Two-dimensional near-infrared spectroscopy study of human serum albumin in aqueous solutions:Using overtones and combination modes to monitor temperature-dependent changes in the secondary structure.J.Phys.Chem.B.104(2000)5840-5847.
[25]N.Heigl,C.W.Huck,M.Rainer,M.Najam-ul-Haq,G.K.Bonn,Near infrared spectroscopy,cluster and multivariate analysis hyphenated to thin layer chromatography for the analysis of amino acids.Amino Acids.31(2006)45-53.
[26]D.Wu,Y.He,J.H.Shi,S.J.Feng,Exploring near and midinfrared spectroscopy to predict trace iron and zinc contents in powdered milk.J.Agric.Food Chem.,57(2009)1697-1704.
[27]V.Centner,D.L.Massart,O.E.Noord,S.de Jong,B.M.Vandeginste,C.Sterna,Elimination of uninformative variables for multivariate calibration.Anal Chem.,68(1996)3851-3858.
[28]H.Li,Y.Liang,Q.Xu,D.Cao,Key wavelengths screening using competitive adaptive reweighted sampling method for multivariate calibration.Anal.Chim.Acta,648(2009)77-84.