Compositional analysis of nonfat dry milk by using near infrared diffuse reflectance spectroscopy

Proximate data from 82 nonfat dry milk (NFDM) samples were correlated with near infrared reflectance (NIR) measurements. The best wavelengths for determining constituent concentrations were chosen from 19 preselected filters by using linear regression analysis. The correlation coefficient (r) was 0.971 and the standard error of prediction (SEP) was 0.274 when the predicted values (from NIR measurements) using the 3 wavelengths selected for determining moisture content were compared with laboratory values; r and SEP were 0.961 and 0.099, respectively, when the predicted values using the 4 wavelengths selected for fat content were compared with laboratory results; 0.887 and 0.594, respectively, using the 4 wavelengths selected for lactose content; 0.905 and 0.438 using the 8 wavelengths selected for protein (micro-Kjeldahl) content; and 0.911 and 0.509 using the 7 wavelengths selected for protein (dye binding). These data indicate that NIR can be used to estimate moisture, fat, lactose, and protein content of NFDM.     

Determination of moisture in Cheddar cheese by near infrared reflectance spectroscopy

Near infrared reflectance (NIR) spectroscopy was used to determine the moisture content of Cheddar cheese. Through multiple linear regression analysis, a 3-wavelength calibration was developed for use with a commercial filter monochromator instrument. For a validation set of 47 samples, the correlation coefficient squared (r2) between the NIR and oven moisture methods was 0.92, with a standard error of performance (SEP) of 0.38%. Sample temperature was found to significantly affect the spectral response; therefore, it was necessary to equilibrate all samples to a uniform temperature prior to NIR analysis. Aging may also affect the NIR characteristics of cheese, although it was possible to develop a successful calibration that encompassed a wide range of aging times.     

Estimation of mineral content in natural grasslands by near infrared reflectance spectroscopy

Abstract

Near infrared reflectance spectroscopy (NIRS) was tested to predict the nitrogen (N) and mineral concentration [for the elements phosphorus (P), potassium (K), calcium (Ca), magnesium (Mg), sodium (Na), manganese (Mn), iron (Fe), copper (Cu), and zinc (Zn)] in natural grassland samples. The samples wrere taken from different community types according to the topographic gradient at different maturation stages and during a period of four consecutive years. A subset of 95 samples was selected on the basis of the spectral variation. Chemical values from the calibration sample set were regressed on the corresponding spectral data using a stepwise multiple regression analysis. Another subset of 75 samples was used as the validation set. Standard errors of prediction and correlation coefficients, respectively, were: 0.71 and 0.97 (N), 0.22 and 0.73 (P), 1.83 and 0.84 (K), 0.83 and 0.92 (Ca), 0.15 and 0.92 (Mg), 3.94 and 0.66 (Na), 44 and 0.84 (Mn), 19 and 0.75 (Fe), 1.01 and 0.77 (Co), and 3.9 and 0.79 (Zn).     

苹果糖分含量的近红外漫反射检测研究

应用近红外漫反射技术探讨水果糖分含量检测方法并建立其光谱漫反射测量系统,重点对0,2,4 mm和6 mm 4种不同测量距离对苹果糖分含量无损检测的影响分析.试验结果为:当光纤贴紧苹果表面(0 mm测量距离)时建立的校正方程对未知样品的预测效果最好.利用主成分回归多元校正技术,建立在0 mm时红富士苹果样品糖分含量的预测数学模型,其样品预测值和实测值之间的相关系数为0.844,标准校正误差(SEC)为0.729,标准预测误差(SEP)为0.864,偏差(Bias)为0.318.通过本次试验研究表明,应用近红外光谱漫反射技术进行苹果糖分含量无损检测具有可行性,并得到了较为满意的预测效果.     

利用近红外光谱测定玉米非淀粉组分中纤维素及半纤维素含量

玉米非淀粉组分是可再生的生物质资源,为实现玉米皮渣中纤维素及半纤维含量的快速检测,该研究以偏最小二乘法(PLS)建立数学模型,探讨一阶导数及二阶导数平滑等预处理对建模的影响,建立玉米皮渣中纤维素及半纤维素近红外分析模型.研究结果表明,纤维素模型的定标集和验证集相关系数为0.9806和0.9799,定标集标准偏差(SEE...     

紫花苜蓿幼苗耐盐性的近红外光谱鉴定

紫花苜蓿幼苗耐盐性快速鉴定对于耐盐种质资源筛选和耐盐新品种选育具有重要意义。脯氨酸和丙二醛是表征植物耐盐性的两种重要生化指标。研究应用便携式近红外仪和近红外光谱分析技术,结合偏最小二乘回归法,研究了40个不同紫花苜蓿品种幼苗耐盐性的脯氨酸和丙二醛含量,建立了新鲜样品和干燥样品的近红外漫反射光谱定量分析模型。研究结果表明：脯氨酸、丙二醛的近红外漫反射光谱分析效果均较好,校正模型决定系数R2 和验证集样品预测值与常规分析测定值的验证决定系数r2都大于0.85,两种样品脯氨酸的相对分析误差RPD值分别为1.72     

饲料中肉骨粉含量的近红外反射光谱检测方法

收集28份鸡饲料,31份猪饲料,25份牛饲料和肉骨粉7份,在饲料中掺入不同比例(0.5%～6.0%)的肉骨粉,制成分析样本.采用偏最小二乘(PLS)法,分别对光谱进行散射校正、平滑、一阶导数和二阶导数预处理,建立了鸡饲料、猪饲料和牛饲料中肉骨粉含量的近红外定量分析模型.利用验证集样本对定标模型进行了检验,鸡饲料、猪饲料和牛饲料中肉骨粉含量的真值与预测值之间的决定系数分别为0.9694、0.9846和0.9788;标准差分别为0.279、0.252和0.287;相对分析误差分别为5.663、6.865和5.889.结果表明,利用近红外光谱法测定饲料中的肉骨粉含量具有较高的预测精度.     

基于近红外光谱的板栗水分检测方法

含水率是影响板栗贮藏、加工的关键指标之一,该文应用近红外光谱技术对板栗含水率进行快速无损检测。试验对240个板栗样本的带壳光谱和栗仁板栗光谱采用SPXY算法进行样本集划分,利用偏最小二乘法建立含水率定量检测模型,并对微分、多元散射校正、变量标准化等多种预处理方法对建模结果的影响进行比较。结果表明：栗仁和带壳板栗的光谱经一阶微分预处理后所建模型性能最佳,其中栗仁的水分检测模型校正集和验证集的相关系数分别为0.9359和0.8473,校正均方根误差为1.44%,验证均方根误差为1.83%;带壳板栗光谱所建模型校正集和验证集的相关系数分别为0.8270和0.7655,校正均方根误差为2.27%,验证均方根误差为2.35%。受栗壳的影响,带壳板栗光谱模型对含水率的预测精度低于栗仁光谱模型的预测精度。研究表明,近红外光谱分析技术可用于板栗含水率的快速无损检测。     

精料补充料中肉骨粉含量的近红外光谱检测

为了保证饲料安全,精料补充料中肉骨粉的检测是十分必要的。该文探讨了精料补充料中肉骨粉含量的近红外光谱分析方法,123个样品作为校正集,采用偏最小二乘法(PLS),分别对光谱进行散射校正和卷积平滑、一阶微分、二阶微分预处理建立校正模型,以最大的决定系数(R²)和最小的标准差(RMSEC)为选择依据,通过比较,以多元散射校正和卷积平滑处理与二阶微分相结合的处理效果最好,其预测值与测量值的决定系数(R²)和标准差(RMSEC)分别为0.9751和0.437。34个样品作为检验集进行外部验证,决定系数(r²)和标准差(RMSEP)分别为0.9749和0.420,平均绝对误差和相对误差分别为0.326和13.89％。结果表明,利用近红外分析技术可以检测精料补充料中肉骨粉的含量。     

Nondestructive determination of lignans and lignan glycosides in sesame seeds by near infrared reflectance spectroscopy

Sesame (Sesamum indicum L.) contains abundant lignans including lipid-soluble lignans (sesamin and sesamolin) and water-soluble lignan glycosides (sesaminol triglucoside and sesaminol diglucoside) related to antioxidative activity. In this study, near infrared reflectance spectroscopy (NIRS) was used to develop a rapid and nondestructive method for the determination of lignan contents on intact sesame seeds. Ninety-three intact seeds were scanned in the reflectance mode of a scanning monochromator. This scanning procedure did not require the pulverization of samples, allowing each analysis to be completed within minutes. Reference values for lignan contents were obtained by high-performance liquid chromatography analysis. Calibration equations for lignans (sesamin and sesamolin) and lignan glycosides (sesaminol triglucoside and sesaminol diglucoside) contents were developed using modified partial least squares regression with internal cross-validation (n = 63). The equations obtained had low standard errors of cross-validation and moderate R2 (coefficient of determination in calibration). The prediction of an external validation set (n = 30) showed significant correlation between reference values and NIRS predicted values based on the SEP (standard error of prediction), bias, and r2 (coefficient of determination in prediction). The models developed in this study had relatively higher values (more than 2.0) of SD/SEP(C) for all lignans and lignan glycosides except for sesaminol diglucoside, which had a minor amount, indicating good correlation between the reference and the NIRS estimate. The results showed that NIRS, a nondestructive screening method, could be used to rapidly determine lignan and lignan glycoside contents in the breeding programs for high quality sesame.     

北京典型耕作土壤养分的近红外光谱分析

为研究土壤养分含量分布信息,以从北京郊区一块试验田采集的72个土壤样品为试验材料,应用傅里叶变换近红外光谱技术分析了土样的全氮、全钾、有机质养分含量和pH值。采用偏最小二乘法(PLS)对光谱数据与土壤养分实测值进行回归分析,建立预测模型,以模型决定系数(R2)、校正标准差(RMSECV)、预测标准差(RMSEP)和相对分析误差(RPD)作为模型精度的评价指标。结果表明,利用该模型与光谱数据对土壤全氮、全钾、有机质养分含量和pH值进行预测,结果与实测数据具有较好的一致性,最高决定系数R2达到0.9544。偏最小二乘回归方法建立的养分预测模型能准确地对北京地区褐土土质全氮、有机质、全钾和pH值4种养分进行预测。     

基于红外衰减全反射光谱的温室土壤盐分特征研究

与传统的露地耕作土壤不同,温室土壤在耕作过程中受较多的人为调控,但在调控的过程中产生了多种问题,如大量施肥导致的土壤盐渍化[1]。因此,研究如何表征温室土壤的离子特征并预测温室土壤的发展是当前设施农业发展所面临的重要问题。常规农化分析只从不同的角度分析温室土壤的特征,很难实现整体上的综合表征。红外光谱能够综合反应土壤的理化性质,在温室土壤研究中有具有明显的特点。常规的透射光谱在研究土壤时存在制样时间长和难以定量的缺点,而衰减全反射红外光谱(ATR-FTIR)则可克服这一缺点,结合化学计量学的方法,能够实现土壤的定性与定量分析[2,3]。红外光谱包含大量化学键信息,在分析时需进行合理的降维,抽取     

基于近红外光谱和正交信号-偏最小二乘法对土壤的分类

不同质地的土壤,由于蓄水能力和土壤颗粒大小的不同使得其光谱特性不同,这为采用近红外光谱技术对土壤质地进行判别分析提供了依据。该研究利用正交信号校正(OSC)方法可以获得与浓度有关的谱图信息这一优势,将其与偏最小二乘方法(PLS)结合,采用近红外光谱技术对不同质地的土壤:砂土、壤土、黏土进行判别分析。结果表明:建模样本的相关系数可达0.965,采用该模型对其余45个样本分别进行了预测,三种土壤预测样本的判别正确率分别为:93.3%,86.6%和86.6%。说明OSC方法可以提取谱图中的微弱的质地信息,实现土壤质地的快速鉴别分析。     

利用近红外漫反射光谱技术进行苹果糖度无损检测的研究

利用近红外漫反射光谱技术,研究了1300～2100 nm波长范围内无损检测苹果糖度的可行性。采集了每个苹果去皮前、后最大横径上四个点的近红外平均光谱和整个苹果的糖度值。采用主成分回归(PCR)和偏最小二乘法(PLS)对试验数据进行了多元统计分析。结果表明：在1300～2100 nm波长范围内无损检测(即带皮检测)苹果的糖度是可靠的,并且PLS模型的性能更优于PCR模型。本文还对用单测点光谱和多测点平均光谱建立的糖度模型进行了研究,结果表明用单测点光谱预测整个苹果的糖度,其精度明显低于多测点平均光谱。这说明用苹果上一个点的光谱来预测整个苹果的糖度,其精度是不够的。因此,在利用近红外漫反射光谱在线检测苹果糖度时,作者建议采用多个光纤探头来采集多点光谱,然后取其平均值预测。     

Near-infrared reflectance spectroscopy for predicting amino acids content in intact processed animal proteins

Near-infrared calibrations were developed for the instantaneous prediction of amino acids composition of processed animal proteins (PAPs). Two sample presentation modes were compared (ground vs intact) for demonstrating the viability of the analysis in the intact form, avoiding the need for milling. Modified partial least-squares (MPLS) equations for the prediction of amino acids in PAPs were developed using the same set of samples (N = 92 PAPs) analyzed in ground and intact form and in three cups differing in the optical window size. The standard error for cross validation (SECV) and the coefficient of determination (1-VR) values yielded with the calibrations developed using the samples analyzed in the intact form showed similar or even better accuracy than those obtained with finely ground samples. The excellent predictive ability (1-VR > 0.90; CV < 3.0%) obtained for the prediction of amino acids in intact processed animal proteins opens an enormous expectative for the on-line implementation of NIRS technology in the processing and marketing of these important protein feed ingredients, alleviating the costs and time associated with the routine quality controls.     

鱼粉中肉骨粉的可见-近红外光谱快速定性判别方法（简报）

为了能更加快速准确的定性判别鱼粉中是否掺有肉骨粉（MBM）,该文收集中国常用的鱼粉和肉骨粉,制备定标集样品201个,其中111个为掺有不同肉骨粉质量分数（1%～33%）的样品,90个为纯鱼粉,并独立制备113个验证集样品,其中74个为掺有不同肉骨粉质量分数（1%～33%）的样品,39个为纯鱼粉。在400～2 498 nm波长范围内进行光谱扫描,选择合适的光谱预处理方法和光谱范围,采用DPLS方法建立判别分析模型。建立的判别分析模型：数学预处理方法为2-8-6-1,散射校正方法为变量标准化处理（SNV）,光谱范围为全谱（408～ 2 492 nm）,定标模型的正确判断率为95.7%,外部验证正确判断率为95.6%,对于掺入量≥5%MBM时,正确判断率为100%。研究结果证明近红外反射光谱可以提供一种快速鉴别鱼粉中MBM的方法。     

利用可见光-近红外漫反射光谱技术预测铜冶炼厂周边区域土壤属性

Spatial and temporal monitoring of soil properties in smelting regions requires collection of a large number of sam-ples followed by laboratory cumbersome and time-consuming measurements.Visible and near-infrared diffuse reflectance spectroscopy (VNIR-DRS) provides a rapid and inexpensive tool to predict various soil properties simultaneously.This study evaluated the suitability of VNIR-DRS for predicting soil properties,including organic matter (OM),pH,and heavy metals (Cu,Pb,Zn,Cd,and Fe),using a total of 254 samples collected in soil profiles near a large copper smelter in China.Partial least square regression (PLSR) with cross-validation was used to relate soil property data to the reflectance spectral data by applying different preprocessing strategies.The performance of VNIR-DRS calibration models was evaluated using the coefficient of determination in cross-validation (R 2 cv) and the ratio of standard deviation to the root mean standard error of cross-validation (SD/RMSE cv).The models provided fairly accurate predictions for OM and Fe (R 2 cv > 0.80,SD/RMSE cv > 2.00),less accurate but acceptable for screening purposes for pH,Cu,Pb,and Cd (0.50 < R 2 cv < 0.80,1.40 < SD/RMSE cv < 2.00),and poor accuracy for Zn (R 2 cv < 0.50,SD/RMSE cv < 1.40).Because soil properties in conta-minated areas generally show large variation,a comparative large number of calibrating samples,which are variable enough and uniformly distributed,are necessary to create more accurate and robust VNIR-DRS calibration models.This study indicated that VNIR-DRS technique combined with continuously enriched soil spectral library could be a nondestructive alternative for soil environment monitoring.     

近红外光谱检测苹果可溶性固形物

该文目的是通过静态和在线两种方式的对比试验,研究苹果可溶性固形物近红外光谱静态和在线检测的差异。分别在静态（600～950 nm）和在线（600.02～950.92 nm）2种检测方式下,采用间隔偏最小二乘法,寻找苹果可溶性固形物的特征波段,建立了苹果可溶性固形物近红外光谱检测用数学模型,并进行对比分析。试验结果为：与静态检测模型相比,在线检测模型性能稍弱,模型预测相关系数为0.78,预测均方根误差为1.04oBirx。试验结果表明：近红外光谱在线检测苹果可溶性固形物的精度不理想。     

基于漫反射光谱的叶面药液浓度检测方法

应用漫反射反射光谱对叶面药液质量浓度进行了检测研究。选择350～1900nm波段,以标准偏差归一化、三点滑动平均滤波、一阶导数组合预处理,应用逐步回归分析、主成分、主成分+人工神经网络、偏最小二乘、偏最小二乘+人工神经网络回归分析建立了5种数学模型。试验结果表明这5种算法的预测均方根误差分别为0.067、0.061、0.059、0.039、0.056,偏最小二乘法建模效果优于其他模型。考虑到不同作物种类对叶面药液浓度影响,选用八角金盘、油菜、青菜3种作物叶片为对象,在偏最小二乘下建模,其预测集相关系数分别为0.994、0.974、0.929,预测均分根误差分别为0.039、0.050、0.075。表明不同种类作物对叶面药液浓度检测影响较小,漫反射光谱技术检测叶面药液浓度是可行的。     

Ultraviolet leaf reflectance of common urban trees and the prediction of reflectance from leaf surface characteristics

The spectral reflectance and transmittance over the wavelength range of 250–700 nm were evaluated for leaves of 20 deciduous tree species and leaf sheaths of five isogenic wax variants of Sorghum bicolor differing in visible reflectance due to cuticular waxes. Using the sorghum sheath reflectance and cuticle surface characteristics as a model, it was concluded that tree leaf reflectance above 0.06 was likely due to the presence of variously-shaped fine epicuticular wax structures on the leaf surface. Increasing the density of sub-micron wax structures corresponded to an enhanced ultraviolet (UV) reflectance over the PAR reflectance of a given leaf surface—either S. bicolor sheath or tree leaf. Amorphous globular epicuticular wax structures did not appear to scatter UV as well as wax filaments or vertical plates in varying patterns even when the dimensions of the structures were similar. Further work is needed to clarify this relationship and the influence of cellular pigments on subsurface contributions to the reflectance.