应用近红外光谱估测小麦叶片氮含量

研究利用近红外光谱(near-infrared, NIR)和化学计量学方法估测小麦(Triticum aestivum)新鲜叶片和粉末状干叶中全氮含量的可行性, 并建立小麦叶片氮含量估测模型, 以期为小麦氮素营养的精确管理提供理论依据。以3个小麦田间试验观测资料为基础, 分别运用偏最小二乘法(partial least squares, PLS)、反向传播神经网络(back-propagation neural network, BPNN)和小波神经网络(wavelet neural network, WNN), 建立小麦叶片氮含量的鲜叶和粉末状干叶近红外光谱估测模型, 用随机选择的样品集对所建模型进行测试和检验。结果显示, 利用PLS、BPNN和WNN 3种方法构建的近红外光谱模型均能准确地估测小麦叶片氮含量, 其中基于BPNN和WNN的模型优于基于PLS的模型, 且以基于WNN的模型表现最好。对模型进行检验的结果显示, 粉末状干叶模型的预测均方根误差(RMSEP)分别为0.147、0.101和0.094, 鲜叶模型的RMSEP分别为0.216、0.175和0.169, 模型的相关系数均在0.84以上。因此, 利用近红外光谱估算小麦叶片氮素营养精确可行, 对其他作物的氮素营养估测提供了借鉴和参考。     

稻麦叶片氮含量与冠层反射光谱的定量关系

作物氮素含量是评价作物长势、估测产量与品质的重要参考指标,叶片氮素含量的无损快速监测对于指导作物氮素营养的精确管理及生产力的预测预报具有重要意义.以5个小麦品种和3个水稻品种在不同施氮水平下的3a田间试验为基础,综合研究了稻麦叶片氮含量与冠层反射光谱的定量关系.结果显示：（1）不同试验中拔节后稻麦叶片氮含量均随施氮水平呈上升趋势;（2）稻麦冠层光谱反射率在不同施氮水平下存在明显差异,在可见光区（460～710 nm）的反射率一般随施氮水平的增加逐渐降低,而在近红外波段（760～1100 nm）却随施氮水平的增加逐渐升高;（3）就单波段光谱而言,610、660 nm和680 nm处的冠层反射率均与稻麦叶片氮含量具有较好的相关性;（4）在光谱指数中,归一化差值植被指数NDVI（1220,610）与水稻和小麦叶片氮含量均具有较好的相关性,且相关性好于单波段反射率;（5）对于小麦和水稻,可以利用共同的波段和光谱指数来监测其叶片氮含量,采用统一的回归方程来描述其叶片氮含量随单波段反射率和冠层反射光谱参数的变化模式,但若采用单独的回归系数则可以提高稻麦叶片氮含量估测的准确性.     

利用高光谱参数反演水稻叶片类胡萝卜素含量

为了探讨快速、准确预测水稻(Oryza sativa)叶片类胡萝卜素(Car)含量的敏感光谱波段和光谱指数, 通过实施涉及不同年份、不同生态点、不同施氮水平和不同品种类型的4个田间试验, 于主要生育期同步测定了水稻顶部4张叶片的光谱反射率及Car含量, 系统分析了350-2 500 nm范围内任意两波段组合而成的比值(SR (λ1, λ2))、归一化(ND (λ1, λ2))及已报道的对Car敏感的光谱指数与水稻叶片Car含量间的定量关系。结果表明, 不同Car含量水平下水稻叶片光谱反射率存在着明显变化, 以绿光及红边波段对水稻叶片Car含量变化最为敏感。723 nm附近的波段与近红外波段的比值组合以及713 nm附近的波段与近红外波段的归一化组合可以较好地预测水稻叶片Car含量, 以SR (723, 770)和ND (770, 713)表现最好, 线性拟合R²分别达到0.897和0.898。基于独立的试验资料的检验表明, 预测值和实测值的拟合R²分别为0.856和0.858, 均方根差RMSE均为0.072, 平均相对误差RE分别为11.9%和12.0%, 表明SR (723,770)和ND (770, 713)可有效地估算水稻上部叶片的Car含量。     

水稻上部叶片叶绿素含量的高光谱估算模型

叶片叶绿素 (Chl) 状况是评价植株光合效率和营养胁迫的重要指标,实时无损监测Chl状况对作物生长诊断及氮素管理具有重要意义.以不同生态点、不同年份、不同施氮水平、不同类型水稻品种的4个田间试验为基础,于主要生育期同步测定了水稻主茎顶部4张叶片的高光谱反射率及Chl含量,并计算了350～2500 nm范围内任意两波段组合而成的比值(SR[λ1,λ2])和归一化(ND[λ1,λ2])光谱指数以及已报道的对Chl敏感的光谱指数,进一步系统分析了叶片Chl含量与上述光谱指数之间的定量关系.结果表明,红边波段的比值和归一化光谱指数可以较好地预测水稻上部4叶的Chl含量(R~2>0.9),但对于不同Chl指标其最佳组合波段有所差异.估算叶绿素a (Chla)、叶绿素总量(Chla+b)和叶绿素b (Chlb)的最佳比值光谱指数分别为SR(724,709)、SR(728,709)和SR(749,745),方程拟合决定系数R~2分别是0.947、0.946、0.905;最佳归一化光谱指数分别为ND(780,709)、ND(780,712)和ND(749,745),R~2分别是0.944、0.943、0.905.引入445 nm波段反射率对上述光谱指数进行修正,可以降低叶片表面反射差异的影响,提高模型的应用范围.利用不同年份独立的试验资料对所建模型进行了检验,结果表明,修正型比值光谱指数 mSR(724,709)、mSR(728,709) 和 mSR(749,745),以及修正型归一化光谱指数mND(780,709)、mND(780,712) 和 mND(749,745) 预测 Chla、Chla+b 和 Chlb 的效果更好,其测试的RMSE分别为 0.169、0.192、0.052、0.159、0.176、0.052,RE分别为8.18%、7.74%、13.01%、8.26%、7.59%、12.96%,均较修正前降低,说明修正后的光谱指数普适性更好.     

不同供氮水平的水稻叶尖的傅里叶转换红外光谱

四个氮素水平处理的盆栽水稻(Oryza sativa L.)的叶尖在不同生育期均表现出明显的傅里叶转换红外光谱差异.新定义的光谱指数((A3400-A1653)/(A3400+A1653),A为某频率处的吸收值)随着施氮水平的提高而降低.结果表明,傅里叶转换红外光谱可用于诊断植物的氮素状况.     

棉花冠层高光谱参数与叶片氮含量的定量关系

建立棉花(Gossypium hirsutum)氮素状况的光谱监测技术对于棉花营养诊断和长势估测具有重要意义。该研究利用冠层高光谱反射率及演变的多种高光谱参数,分析了不同施氮水平下不同棉花品种叶片氮含量与冠层反射光谱的定量关系,建立了棉花叶片氮含量的敏感光谱参数及预测方程。结果显示,棉花叶片氮含量和冠层高光谱反射率随不同施氮水平呈显著变化。棉花叶片氮含量的敏感光谱波段为600~700 nm的可见光波段和750~900 nm的近红外波段,且叶片氮含量与比值植被指数RVI [average (760~850), 700]有密切的定量关系,4个品种的平均决定系数在0.70左右。进一步分析表明,可以用统一的回归方程来描述不同品种、不同生育时期和不同氮素水平下棉花叶片氮含量随反射光谱参数的变化模式,从而为棉花氮素营养的监测诊断与精确施肥提供技术依据。     

不同供氮水平的水稻叶尖的傅里叶转换红外光谱

四个氮素水平处理的盆栽水稻（Oryza sativa L.）的叶尖在不同生育期均表现出明显的傅里叶转换红外光谱差异，新定义的光谱指数（A3400-A1653）/（A3400 A1653），A为某频率处的吸收值）随着施氮水平的提高而降低。结果表明，傅里叶转换红外光谱可用于诊断植物的氮素状况。     

应用近红外光谱法估测小麦叶片糖氮比

糖氮比能够反映作物碳氮代谢的协调程度,及时、准确地监测糖氮比对于作物氮素营养诊断和调控具有重要意义.本研究以不同年份、品种、施氮水平的小麦大田试验为基础,获取鲜叶和粉末状干叶近红外(NIR)光谱及糖氮比信息,分别运用偏最小二乘法(partial least squares, PLS)、BP神经网络(back propagation neural network, BPNN)和小波神经网络(wavelet neural network, WNN)3种方法建立了小麦叶片糖氮比预测模型,并利用随机选择的样品集对所建模型进行测试和检验.结果表明： 小麦鲜叶光谱模型预测性能不佳;而干叶片预测模型表现了较好的准确性,在1655~2378 nm谱区范围内基于3种方法构建的干叶粉末糖氮比估算模型,其预测均方根误差均低于0.3%,决定系数均高于0.9.比较而言,WNN法表现最佳.总体显示,近红外光谱法可以准确预测小麦叶片糖氮比状况,为科学诊断糖氮比提供了理论基础和技术途径.     

不同供氮水平的水稻叶尖的傅里叶转换红外光谱(英)

四个氮素水平处理的盆栽水稻 (OryzasativaL .)的叶尖在不同生育期均表现出明显的傅里叶转换红外光谱差异。新定义的光谱指数 ((A3 4 0 0 -A1653 ) / (A3 4 0 0 A1653 ) ,A为某频率处的吸收值 )随着施氮水平的提高而降低。结果表明 ,傅里叶转换红外光谱可用于诊断植物的氮素状况。     

籼稻品质分析的近红外光谱模型建立及其应用研究

为了满足籼稻品质快速分析的需求,本研究利用籼稻精米粉近红外光谱建立了直链淀粉含量、蛋白质含量、碱消值、垩白度的回归预测模型.结果表明,本研究提供的预测模型具有良好的测定效果,用偏最小二乘法(PLS)获得的籼稻精米粉直链淀粉含量、蛋白质含量、碱消值、垩白度的回归模型和交叉验证显示最优校正决定系数(R~2)和交叉检验均方误差(RMSECV)分别为0.9561、1.55,0.9510、0.258,0.9076、0.283,0.9014、4.14.说明所建的近红外光谱预测模型具有实用价值.     

水稻叶片全氮浓度与冠层反射光谱的定量关系

利用数学统计方法分析了不同施氮水平和不同水稻品种群体叶片全氮浓度（LNC）与冠层反射光谱的定量关系,建立了水稻群体叶片全氮浓度的光谱监测模型.结果表明：基于原始反射率构造的光谱参数与叶片全氮浓度的相关程度均高于原始反射率,近红外波段（760～1 220 nm）与可见光波段510、560、680及710 nm组成的比值植被指数、差值植被指数和归一化植被指数与群体叶片全氮浓度呈极显著正相关,其中与归一化植被指数（NDVI）的相关性最好;对拟合较好的6个两波段组合参数及4个特征光谱参数的预测标准误（SE）和决定系数（R²）进行比较后,选取参数NDVI (1220, 710)为反演群体叶片全氮浓度的最佳光谱参数,方程为LNC=3.2708 × NDVI (1220,710) + 0.8654.利用不同粳稻品种、水分和氮肥处理的试验数据对监测模型进行了检验,估计的根均方差（RMSE）均小于20%,预测值和实测值的拟合R²为0.674～0.862,拟合斜率为0.908～1.010,RMSE为11.315%～19.491%,表明模型预测值与实测值之间符合度较高,对不同栽培条件下的水稻群体叶片全氮浓度具有较好的预测性.     

Evaluation of the bony repair in rat cranial defect using near infrared reflectance spectroscopy and discriminant analysis

We set out to determine whether near infrared reflectance spectroscopy (NIRS) combined with principal component analysis–linear discriminant analysis (LDA) or, variable selection techniques employing successive projection algorithm or genetic algorithm (GA) could evaluate the bone repair in cranial critical‐size (5 mm) defect after stimulation with collagen sponge scaffold and/or infrared low‐level laser therapy directly on the local. Forty‐five Winstar rats were divided into nine groups of five each, namely: group H – healthy, n = 5 (without treatment and without cranial critical‐size defect), (GI positive control – n = 5, 21 days or n = 5, 30 days) without treatment and with cranial critical‐size defect; (GII‐n = 5, 21 days or n = 5, 30 days) cranial critical‐size defect filled with collagen sponge scaffold; (GIII–n = 5, 21 days or n = 5, 30 days) cranial critical‐size defect submitted to low‐level laser therapy; (GIV–n = 5, 21 days or n = 5, 30 days) cranial critical‐size defect submitted to combined collagen sponge scaffold + low‐level laser therapy treatment. In relation to the histological analysis, the collagen sponge scaffold + low‐level laser therapy treatment group (GIV) 30 days showed the best result with the presence of secondary bone, immature bone (osteoid) and newly formed connective tissue (periosteum). GA–LDA model also successfully classified control class of the others classes. Thus, the results provided by the good‐quality classification model revealed the feasibility of NIRS for application to evaluation of the wound healing in rat cranial defect, thanks to the short analysis time of a few seconds and nondestructive advantages of NIRS as an alternative approach for bone repair purposes. © 2017 American Institute of Chemical Engineers Biotechnol. Prog., 33:1160–1168, 2017     

Online prediction of fatty acid profiles in crossbred Limousin and Aberdeen Angus beef cattle using near infrared reflectance spectroscopy

The objective of this study was to examine the online use of near infrared reflectance (NIR) spectroscopy to estimate the concentration of individual and groups of fatty acids (FA) as well as intramuscular fat (IMF) in crossbred Aberdeen Angus (AA×) and Limousin (LIM×) cattle. This was achieved by direct application of a fibre-optic probe to the muscle immediately after exposing the meat surface in the abattoir at 48 h post mortem. Samples of M. longissimus thoracis from 88 AA× and 106 LIM× were scanned over the NIR spectral range from 350 to 1800 nm and samples of the M. longissimus lumborum were analysed for IMF content and FA composition. Statistically significant differences (P < 0.001) were observed in most FA between the two breeds studied, with FA concentration being higher in AA× meat mainly. NIR calibrations, tested by cross-validation, showed moderate to high predictability in LIM× meat samples for C16:0, C16:1, C18:0, trans11 C18:1, C18:1, C18:2 n-6, C20:1, cis9, trans11 C18:2, SFA (saturated FA), MUFA (monounsaturated FA), PUFA (polyunsaturated FA) and IMF content with R(2) (SE(CV), mg/100 g muscle) of 0.69 (146), 0.69 (28), 0.71 (62), 0.70 (8.1), 0.76 (192), 0.65 (13), 0.71 (0.9), 0.71 (2.9), 0.68 (235), 0.75 (240), 0.64 (17) and 0.75 (477), respectively. FA such as C14:0, C18:3 n-3, C20:4 n-6, C20:5 n-3, C22:6 n-3, n-6 and n-3 were more difficult to predict by NIR in these LIM× samples (R(2) = 0.12 to 0.62; SECV = 0.5 to 26 mg/100 g muscle). In contrast, NIR showed low predictability for FA in AA× beef samples. In particular for LIM×, the correlations of NIR measurements and several FA in the range from 0.81 to 0.87 indicated that the NIR spectroscopy is a useful online technique for the early, fast and relatively inexpensive estimation of FA composition in the abattoir.     

Quantitation of drug content in a low dosage formulation by transmission near infrared spectroscopy

A transmission near infrared (NIR) spectroscopic method has been developed for the nondestructive determination of drug content in tablets with less than 1% weight of active ingredient per weight of formulation (m/m) drug content. Tablets were manufactured with drug concentrations of ∼0.5%, 0.7%, and 1.0% (m/m) and ranging in drug content from 0.71 to 2.51 mg per tablet. Transmission NIR spectra were obtained for 110 tablets that constituted the training set for the calibration model developed with partial least squares regression. The reference method for the calibration model was a validated UV spectrophotometric method. Several data preprocessing methods were used to reduce the effect of scattering on the NIR spectra and base the calibration model on spectral changes related to the drug concentration changes. The final calibration model included the spectral range from 11 216 to 8662 cm⁻¹ the standard normal variate (SNV), and first derivative spectral pretreatments. This model was used to predict an independent set of 48 tablets with a root mean standard error of prediction (RMSEP) of 0.14 mg, and a bias of only −0.05 mg per tablet. The study showed that transmission NIR spectroscopy is a viable alternative for nondestructive testing of low drug content tablets, available for the analysis of large numbers of tablets during process development and as a tool to detect drug agglomeration and evaluate process improvement efforts. Published: March 24, 2006     

Feasibility study on the potential of visible and near infrared reflectance spectroscopy to measure alpaca fibre characteristics

Visible (Vis) and near infrared (NIR) reflectance spectroscopy is a rapid and non-destructive technique that has found many applications in assessing the quality of agricultural commodities, including wool. In this study, Vis and NIR spectroscopy combined with multivariate data analysis was investigated regarding its feasibility in predicting a range of fibre characteristics in raw alpaca wool samples. Mid-side samples (n = 149) were taken from alpacas from a range of colours and ages at shearing time over 4 years (2000 to 2004) and subsequently analysed for fibre characteristics such as mean fibre diameter (MFD) and standard deviation (and coefficient of variation), spin fineness, curvature degree (and standard deviation), comfort factor, medullation percentage (by weight and number in white samples only) using traditional reference laboratory testing methods. Samples were scanned in a large cuvette using a FOSS NIRSystems 6500 monochromator instrument in reflectance mode in the Vis and NIR regions (400 to 2500 nm). Partial least squares (PLS) regression was used to develop a number of calibration models between the spectral and reference data. Mathematical pre-treatment of the spectra (second derivative) as well as various combinations of wavelength range were used in model development. The best calibration model was found when using the NIR region (1100 to 2500 nm) for the prediction of MFD, which had a coefficient of determination in cross-validation (R2) of 0.88 with a root mean square standard error of cross validation (RMSECV) of 2.62 μm. The results show the NIR technique to have promise as a semi-quantitative method for screening purposes. The lack of grease in alpaca wool samples suggests that the technique might find ready application as a rapid measurement technique for preliminary classing of shorn fleeces or, if used directly on the animal, the technology might offer an objective tool to assist in the selection of animals in breeding programmes or shows.     

Blend uniformity analysis using stream sampling and near infrared spectroscopy

A near infrared spectroscopic method was developed to determine drug content in a 20% (wt/wt) ibuprofen and spray-dried hydous lactose blend. A blending profile was obtained after blending for 0.5, 1, 3, 5, 10, and 20 minutes. Stream sampling was used to collect about 20 blend samples at each of the blending times from a laboratory scale V-blender. The samples collected were used to develop a near infrared calibration model. The calibration model was then used to determine the drug content of unknown samples from 2 validation blends. The validation blends were not included in the calibration model; they were used to evaluate the effectiveness of the calibration model. A total of 45 samples from the 2 validation blends were predicted by the near infrared calibration model and then analyzed by a validated UV spectrophotometric method. The root mean square error of prediction for the first validation blend was 5.69 mg/g and 3.30 mg/g for the samples from the second blend. A paired t test at the 95% confidence level did not indicate any differences between the drug content predicted by the near infrared spectroscopy (NIRS) method and the validated UV method for the 2 blends. The results show that the NIRS method could be developed while the blending profile is generated and used to thoroughly characterize a new formulation during development by analyzing a large number of samples. The new formulation could be transferred to a manufacturing plant with an NIRS method to facilitate blend uniformity analysis.     

Spectral reflectance ratio of rice canopy for estimating crop nitrogen status

A portable meter for measuring the intensity of the green color of a rice canopy in the field by using spectral reflectance at 550 and 800 nm was newly devised. The measurements were found to be affected by reflection of sunshine on the leaf surface. With such limitations being taken into account, rice canopy green color intensity could be evaluated with this meter.     

基于冠层反射光谱的棉花叶片氮含量估测

通过分析不同施氮水平下棉花叶片氮含量与冠层多光谱反射率及其衍生的比值、归一化及差值植被指数之间的关系,确立了棉花叶片氮含量的敏感波段及预测方程.结果表明:由红谷区域(610、660、680和710nm4个波段)和近红外区域(760、810、870、950、1100和1220nm6个波段)组成的植被指数与棉花叶片氮含量的相关性较好,比值植被指数RVI(950,710)对叶片氮含量的预测性最好.利用独立的棉花田间试验资料对基于RVI(950,710)的预测方程进行检验,该模型适用于不同棉花品种及不同生育期棉花叶片氮含量预测.