用于牛奶分析的中红外光谱标准化及其在模型传递中的作用
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摘要
随着越来越多的模型被开发,依据牛奶傅里叶变换中红外光谱(FT-MIRS)来提供关于牛奶成分、奶制品特性以及奶牛生理状况等信息,使得MIRS技术得到广泛应用。但是由于各种中红外光谱仪器之间存在一定的差异,在主机上建立的模型往往难以直接应用于从机,而重新建立稳定而可靠的模型需要花费大量的时间和精力。目前,主要通过光谱标准化的方法来对光谱进行预处理,以消除不同仪器对样本信息的反应差异,实现在不同中红外光谱仪器之间的模型传递。
As more and more models have been developed, MIRS technology has been widely used, based on milk fourier transform mid-infrared spectroscopy(FT-MIRS) to provide information on milk composition, dairy characteristics, and cow physiological conditions. However, due to the certain differences between various midinfrared spectroscopy instruments, the model established on the host computer is often difficult to directly apply to the slave, and it takes a lot of time and effort to re-establish a stable and reliable model. At present, the spectrum is preprocessed mainly by spectral normalization methods to eliminate the difference in response of different instruments to sample information, and to achieve model transfer among different mid-infrared spectroscopic instruments.
As more and more models have been developed, MIRS technology has been widely used, based on milk fourier transform mid-infrared spectroscopy(FT-MIRS) to provide information on milk composition, dairy characteristics, and cow physiological conditions. However, due to the certain differences between various midinfrared spectroscopy instruments, the model established on the host computer is often difficult to directly apply to the slave, and it takes a lot of time and effort to re-establish a stable and reliable model. At present, the spectrum is preprocessed mainly by spectral normalization methods to eliminate the difference in response of different instruments to sample information, and to achieve model transfer among different mid-infrared spectroscopic instruments.
引文
[1]董利峰,屠焰,刁其玉,等.中红外光谱技术在牛奶营养物质预测及奶牛相关特性分析上的应用[J].动物营养学报,2016,02:326-334.
[2]Bouveresse E.,D.L.Massart.Standardisation of near-infrared spectrometric instruments:A review[J].Vibrational Spectroscopy,1996,06:3-15.
[3]张宇佳.MIR和NIR光谱技术比较及在烃源岩分析中的应用[J].辽宁石油化工大学学报,2013,03:19-23.
[4]Grelet,C.,J.A.Fernández Pierna,P.Dardenne,et al.Standardization of milk mid-infrared spectra from a European dairy network[J].Journal of Dairy Science,2015,98:2150-2160.
[5]Grelet,C.,J.A.Fernández Pierna,P.Dardenne,et al.Standardization of milk mid-infrared spectrometers for the transfer and use of multiple models[J].Journal of Dairy Science,2017,100:7910-7921.
[6]李华,王菊香,邢志娜,等.改进的K/S算法对近红外光谱模型传递影响的研究[J].光谱学与光谱分析,2011,02:362-365.
[7]J.S.Shenk,in R.Biston,N.Bartiaux-Thill(Eds.),Proc.third International Conference on Near Infrared Spectroscopy[C].Agricultural Research Centre Publications,Gembloux,Belgium,1991,649.
[8]P.Dardenne and R.Biston,in R.Biston and N.Bartiaux-Thill(Eds.),Proc.third International Conference on Near Infrared Spectroscopy[C].Agricultural Research Centre Publications,Gembloux,Belgium.
[9]P.Dardenne,R.Biston and G.Sinnaeve,in K.I.Hildrnm,T.lsaksson,T.Naes and A.Tandberg(Eds.),Near Infra-red Spectroscopy:Bridging the Gap between Data Analysis and NIRApplications[C].Ellis Horwood,Chichester,1992,453.
[10]Yongdong.Wang,David J.Veltkamp,Bruce R.Kowalski.Multivariate instrument standardization[J].Analytical chemistry,1991,63(23):2750-2756.
[11]刘翠玲,李天瑞,位丽娜,等.直接标准化算法在食用油酸值和过氧化值上的近红外光谱模型转移的研究[J].光谱学与光谱分析,2017,10:3042-3050.
[12]李鸿儒,柏文良,甘峰,等.对直接标准化算法的改进及其应用[J].分析测试学报,2011,30(5):549-552,557.
[13]黄承伟,戴连奎,董学锋.结合SNV的分段直接标准化方法在拉曼光谱模型传递中的应用[J].光谱学与光谱分析,2011,5:1279-1282.
[14]王家俊,者为,刘言,等.基于拓展光谱的近红外光谱模型转移方法[J].中国烟草学报,2014,06:1-5.
[2]Bouveresse E.,D.L.Massart.Standardisation of near-infrared spectrometric instruments:A review[J].Vibrational Spectroscopy,1996,06:3-15.
[3]张宇佳.MIR和NIR光谱技术比较及在烃源岩分析中的应用[J].辽宁石油化工大学学报,2013,03:19-23.
[4]Grelet,C.,J.A.Fernández Pierna,P.Dardenne,et al.Standardization of milk mid-infrared spectra from a European dairy network[J].Journal of Dairy Science,2015,98:2150-2160.
[5]Grelet,C.,J.A.Fernández Pierna,P.Dardenne,et al.Standardization of milk mid-infrared spectrometers for the transfer and use of multiple models[J].Journal of Dairy Science,2017,100:7910-7921.
[6]李华,王菊香,邢志娜,等.改进的K/S算法对近红外光谱模型传递影响的研究[J].光谱学与光谱分析,2011,02:362-365.
[7]J.S.Shenk,in R.Biston,N.Bartiaux-Thill(Eds.),Proc.third International Conference on Near Infrared Spectroscopy[C].Agricultural Research Centre Publications,Gembloux,Belgium,1991,649.
[8]P.Dardenne and R.Biston,in R.Biston and N.Bartiaux-Thill(Eds.),Proc.third International Conference on Near Infrared Spectroscopy[C].Agricultural Research Centre Publications,Gembloux,Belgium.
[9]P.Dardenne,R.Biston and G.Sinnaeve,in K.I.Hildrnm,T.lsaksson,T.Naes and A.Tandberg(Eds.),Near Infra-red Spectroscopy:Bridging the Gap between Data Analysis and NIRApplications[C].Ellis Horwood,Chichester,1992,453.
[10]Yongdong.Wang,David J.Veltkamp,Bruce R.Kowalski.Multivariate instrument standardization[J].Analytical chemistry,1991,63(23):2750-2756.
[11]刘翠玲,李天瑞,位丽娜,等.直接标准化算法在食用油酸值和过氧化值上的近红外光谱模型转移的研究[J].光谱学与光谱分析,2017,10:3042-3050.
[12]李鸿儒,柏文良,甘峰,等.对直接标准化算法的改进及其应用[J].分析测试学报,2011,30(5):549-552,557.
[13]黄承伟,戴连奎,董学锋.结合SNV的分段直接标准化方法在拉曼光谱模型传递中的应用[J].光谱学与光谱分析,2011,5:1279-1282.
[14]王家俊,者为,刘言,等.基于拓展光谱的近红外光谱模型转移方法[J].中国烟草学报,2014,06:1-5.