ATR-FTIR结合RBF神经网络对市售西红花的产地溯源
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摘要
目的:利用衰减全反射傅里叶变换红外光谱法测定市售西红花的红外谱图,对不同产地西红花进行判别。方法:对129个市售西红花样品红外光谱图进行采集,选择500～1800 cm~(-1)区域的光谱图作为产地判别的数据来源。结果:应用主成分分析法对西红花样品光谱进行分析,可将西红花区分3大主要产地区域。西红花产地追溯模型是通过数据预处理后的ATR-FTIR光谱学与RBF神经网络建模,小波去噪预处理方法结合RBF神经网络模型对3大区域的判别正确率最高,预测集正确率为96.6%。结论:衰减全反射傅里叶变换红外光谱技术结合化学计量学方法是一种快速、有效的技术手段,可用于区分不同市售西红花样品的产地溯源。
Objective: Attenuated total reflectance fourier transform infrared spectroscopy(ATR-FTIR) combined with multivariate analysis has been applied for the discrimination of 129 traded saffron samples. Methods: Theinfrared spectra of saffron samples were recorded. The best discriminatory approach was achieved inthe spectral region 500～1800 cm~(-1). Results: Principal component analysis was applied to samples spectral regions. Saffron samples had be discriminated three main areas of geographical origin. The saffron origin traceability modelwas developed by preprocessed ATR-FTIR coupled with soft independent modeling of RBF neural network. From the original grouped cases,the correctly classified rate was 96.6%. Conclusion: The combination of infrared spectroscopic technique with multivariateanalysis is a rapid and effective method to discriminate tradedsaffron samples in terms of geographical origin.
Objective: Attenuated total reflectance fourier transform infrared spectroscopy(ATR-FTIR) combined with multivariate analysis has been applied for the discrimination of 129 traded saffron samples. Methods: Theinfrared spectra of saffron samples were recorded. The best discriminatory approach was achieved inthe spectral region 500～1800 cm~(-1). Results: Principal component analysis was applied to samples spectral regions. Saffron samples had be discriminated three main areas of geographical origin. The saffron origin traceability modelwas developed by preprocessed ATR-FTIR coupled with soft independent modeling of RBF neural network. From the original grouped cases,the correctly classified rate was 96.6%. Conclusion: The combination of infrared spectroscopic technique with multivariateanalysis is a rapid and effective method to discriminate tradedsaffron samples in terms of geographical origin.
引文
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[16] Lee FY,Htar TT,Akowuah GA.ATR-FTIR and spectrometric methods for the assay of crocin in commercial saffron spices (Crocus savitus L.)[J].International Journal of Food Properties,2015,18(8):1773-1783.
[17] Tarantilis PA,Beljebbar A,Manfait M,et al.FT-IR,FT-Raman spectroscopic study of carotenoids from saffron (Crocus sativus L.) and some derivatives[J].Spectrochimica Acta Part A:Molecular and Biomolecular Spectroscopy,1998,54(4):651-657.
[18] Li C,Yang SC,Guo QS,et al.Geographical traceability of Marsdenia tenacissima by Fourier transform infrared spectroscopy and chemometrics[J].Spectrochimica Acta Part A:Molecular and Biomolecular Spectroscopy,2016,152:391-396.
[19] Eliaerts J,Dardenne P,Meert N,et al.Rapid classification and quantification of cocaine in seized powders with ATR-FTIR and chemometrics[J].Drug testing and analysis,2017,9(10):1480-1489.
[20] Carmona M,Sánchez AM,Ferreres F,et al.Identification of the flavonoid fraction in saffron spice by LC/DAD/MS/MS:Comparative study of samples from different geographical origins[J].Food Chemistry,2007,100(2):445-450.
[21] D’Archivio AA,Giannitto A,Incani A,et al.Analysis of the mineral composition of Italian saffron by ICP-MS and classification of geographical origin[J].Food chemistry,2014,157:485-489.
[22] Sobolev AP,Carradori S,Capitani D,et al.Saffron samples of different origin:an NMR study of microwave-assisted extracts[J].Foods,2014,3(3):403-419.
[23] Ghorbani M.The efficiency of saffron’s marketing channel in Iran[J].World Applied Sciences Journal,2008,4(4):523-527.
[24] Cagliani LR,Culeddu N,Chessa M,et al.NMR investigations for a quality assessment of Italian PDO saffron (Crocus sativus L.)[J].Food Control,2015,50:342-348.
[2] 沈晓霞,王志安.浙江省中药材新品种选育研究现状与展望[J].中国现代中药,2017,19(3):311-314.
[3] Golmohammadi F.Saffron and its farming,economic importance,export,medicinal characteristics and various uses in South Khorasan Province-East of Iran[J].International Journal of Farming and Allied Sciences,2014,3(5):566-596.
[4] Tong Y,Yan Y,Zhu X,et al.Simultaneous quantification of crocetin esters and picrocrocin changes in Chinese saffron by high-performance liquid chromatography-diode array detector during 15 years of storage[J].Pharmacognosy magazine,2015,11(43):540-545.
[5] 周桂芬,留永咏,钱晓东,等.基于中国药典与国际标准对西红花生产流通中质量评价方法的改良[J].药物分析杂志,2016,36(5):835-841.
[6] Petrakis EA,Cagliani LR,Polissiou MG,et al.Evaluation of saffron (Crocus sativus L.) adulteration with plant adulterants by 1H NMR metabolite fingerprinting[J].Food chemistry,2015,173:890-896.
[7] Heidarbeigi K,Mohtasebi SS,Foroughirad A,et al.Detection of adulteration in saffron samples using electronic nose[J].International Journal of Food Properties,2015,18(7):1391-1401.
[8] 刘江弟,欧阳臻,杨滨.西红花品质评价研究进展[J].中国中药杂志,2017,42(3):405-412.
[9] Panchangam SS,Vahedi M,Megha MJ,et al.Saffron’omics’:The challenges of integrating omic technologies[J].Avicenna journal of phytomedicine,2016,6(6):604-620.
[10] D’Archivio AA,Maggi MA.Geographical identification of saffron (Crocus sativus L.) by linear discriminant analysis applied to the UV-visible spectra of aqueous extracts[J].Food Chemistry,2017,219:408-413.
[11] Song SY,Lee YK,Kim IJ.Sugar and acid content of Citrus prediction modeling using FT-IR fingerprinting in combination with multivariate statistical analysis[J].Food chemistry,2016,190:1027-1032.
[12] Masi E,Taiti C,Heimler D,et al.PTR-TOF-MS and HPLC analysis in the characterization of saffron (Crocus sativus L.) from Italy and Iran[J].Food chemistry,2016,192:75-81.
[13] D’Archivio AA,Giannitto A,Maggi MA,et al.Geographical classification of Italian saffron (Crocus sativus L.) based on chemical constituents determined by high-performance liquid-chromatography and by using linear discriminant analysis[J].Food chemistry,2016,212:110-116.
[14] Anastasaki E,Kanakis C,Pappas C,et al.Geographical differentiation of saffron by GC-MS/FID and chemometrics[J].European Food Research and Technology,2009,229(6):899-905.
[15] Maggi L,Carmona M,Kelly SD,et al.Geographical origin differentiation of saffron spice (Crocus sativus L.stigmas)-Preliminary investigation using chemical and multi-element (H,C,N) stable isotope analysis[J].Food chemistry,2011,128(2):543-548.
[16] Lee FY,Htar TT,Akowuah GA.ATR-FTIR and spectrometric methods for the assay of crocin in commercial saffron spices (Crocus savitus L.)[J].International Journal of Food Properties,2015,18(8):1773-1783.
[17] Tarantilis PA,Beljebbar A,Manfait M,et al.FT-IR,FT-Raman spectroscopic study of carotenoids from saffron (Crocus sativus L.) and some derivatives[J].Spectrochimica Acta Part A:Molecular and Biomolecular Spectroscopy,1998,54(4):651-657.
[18] Li C,Yang SC,Guo QS,et al.Geographical traceability of Marsdenia tenacissima by Fourier transform infrared spectroscopy and chemometrics[J].Spectrochimica Acta Part A:Molecular and Biomolecular Spectroscopy,2016,152:391-396.
[19] Eliaerts J,Dardenne P,Meert N,et al.Rapid classification and quantification of cocaine in seized powders with ATR-FTIR and chemometrics[J].Drug testing and analysis,2017,9(10):1480-1489.
[20] Carmona M,Sánchez AM,Ferreres F,et al.Identification of the flavonoid fraction in saffron spice by LC/DAD/MS/MS:Comparative study of samples from different geographical origins[J].Food Chemistry,2007,100(2):445-450.
[21] D’Archivio AA,Giannitto A,Incani A,et al.Analysis of the mineral composition of Italian saffron by ICP-MS and classification of geographical origin[J].Food chemistry,2014,157:485-489.
[22] Sobolev AP,Carradori S,Capitani D,et al.Saffron samples of different origin:an NMR study of microwave-assisted extracts[J].Foods,2014,3(3):403-419.
[23] Ghorbani M.The efficiency of saffron’s marketing channel in Iran[J].World Applied Sciences Journal,2008,4(4):523-527.
[24] Cagliani LR,Culeddu N,Chessa M,et al.NMR investigations for a quality assessment of Italian PDO saffron (Crocus sativus L.)[J].Food Control,2015,50:342-348.