光谱学与光谱分析
光譜學與光譜分析
광보학여광보분석
SPECTROSCOPY AND SPECTRAL ANALYSIS
2009年
12期
3283-3287
,共5页
翁欣欣%陆峰%王传现%亓云鹏
翁訢訢%陸峰%王傳現%亓雲鵬
옹흔흔%륙봉%왕전현%기운붕
近红外光谱%橄榄油%鉴别和定量%BP人工神经网络%偏最小二乘法(PLS)
近紅外光譜%橄欖油%鑒彆和定量%BP人工神經網絡%偏最小二乘法(PLS)
근홍외광보%감람유%감별화정량%BP인공신경망락%편최소이승법(PLS)
Near infrared spectroscopy(NIR)%Virgin olive oil%Discrimination and quantification%BP artificial neural network(BP-ANN)%Partial least square(PLS)
橄榄油兼有食用和保健的作用,价值与价格远远高于其他食用油,所以橄榄油中以劣充好的现象十分普遍.可采用近红外光谱法测定初榨橄榄油中掺杂芝麻油、大豆油和葵花籽油的光谱数据,运用改进的BP算法--Levenberg-Marquardt方法,建立PCA-BP人工神经网络方法对其进行定性判别.同时采用偏最小二乘法(PIS)建立了初榨橄榄油中芝麻油、大豆油、葵花籽油含量的近红外光谱定标模型,用交瓦验证法进行验证.结果表明,BP人工神经网络有很好的定性鉴别能力,PLS建立的芝麻油、大豆油、葵花籽油定标模型的相关系数分别为98.77,99.37,99.44,交叉验证的均方根误差分别为1.3,1.1,1.04.该方法无损、快速、简便,为橄榄油掺杂的检测提供了一种新的途径.
橄欖油兼有食用和保健的作用,價值與價格遠遠高于其他食用油,所以橄欖油中以劣充好的現象十分普遍.可採用近紅外光譜法測定初榨橄欖油中摻雜芝痳油、大豆油和葵花籽油的光譜數據,運用改進的BP算法--Levenberg-Marquardt方法,建立PCA-BP人工神經網絡方法對其進行定性判彆.同時採用偏最小二乘法(PIS)建立瞭初榨橄欖油中芝痳油、大豆油、葵花籽油含量的近紅外光譜定標模型,用交瓦驗證法進行驗證.結果錶明,BP人工神經網絡有很好的定性鑒彆能力,PLS建立的芝痳油、大豆油、葵花籽油定標模型的相關繫數分彆為98.77,99.37,99.44,交扠驗證的均方根誤差分彆為1.3,1.1,1.04.該方法無損、快速、簡便,為橄欖油摻雜的檢測提供瞭一種新的途徑.
감람유겸유식용화보건적작용,개치여개격원원고우기타식용유,소이감람유중이렬충호적현상십분보편.가채용근홍외광보법측정초자감람유중참잡지마유、대두유화규화자유적광보수거,운용개진적BP산법--Levenberg-Marquardt방법,건립PCA-BP인공신경망락방법대기진행정성판별.동시채용편최소이승법(PIS)건립료초자감람유중지마유、대두유、규화자유함량적근홍외광보정표모형,용교와험증법진행험증.결과표명,BP인공신경망락유흔호적정성감별능력,PLS건립적지마유、대두유、규화자유정표모형적상관계수분별위98.77,99.37,99.44,교차험증적균방근오차분별위1.3,1.1,1.04.해방법무손、쾌속、간편,위감람유참잡적검측제공료일충신적도경.
In the present paper, the use of near infrared spectroscopy (NLR) as a rapid and cost-effective classification and quan-tification techniques for the authentication of virgin olive oil were preliminarily investigated. NIR spectra in the range of 12 000-3 700 cm~(-1) were recorded for pure virgin olive oil and virgin olive oil samples adulterated with varying concentrations of sesame oil, soybean oil and sunflower oil (5%-50% adulterations in the weight of virgin olive oil). The spectral range from 12 000 to 5 390 cm~(-1) was adopted to set up an analysis model In order to handle these data efficiently, after pretreatment, firstly,princi-pal component analysis (PCA) was used to compress thousands of spectral data into several variables and to describe the body of the spectra,and the analysis suggested that the cumulate reliabilities of the first six components was more than 99.999%. Then ANN-BP was chosen as further research method. The six components were secondly applied as ANN-BP inputs. The experiment took a total of 100 samples as original model examples and left 52 samples as unknown samples to predict. Finally, the resultsshowed that the 52 test samples were discriminated accurately. And the calibration models of quantitative analysis were built using partial-least-square (PLS). The R values for PLS model are 98. 77, 99. 37 and 99.44 for sesame oil, soybean oil and sun-flower oil respectively, the root mean standard errors of cross validation (RMSECV) are 1.3, 1.1 and 1.04 respectively. Over-all, the near infrared spectroscopic method in the present paper played a good role in the discrimination and quantification, andoffered a new approach to the rapid discrimination of pure and adulterated virgin olive oil.