基于近红外漫反射光谱的云芝提取物多糖含量快速检测研究

为探索快速无损测定云芝提取物中多糖含量的方法,通过采集粉末状云芝提取物近红外光谱,经预处理和波段选择,结合间隔偏最小二乘法(iPLS)和反向区间偏最小二乘法(Bi-PLS),建立并优化云芝提取物多糖含量检测模型。结果表明,光谱区间为9 365.92~8 918.76 cm~(-1)和5 341.48~4 894.32cm~(-1),二阶导数(SD)预处理后,建立的反向区间偏最小二乘法模型更优,其校正决定系数(R_(cal))、校正均方根差(RMSECV)、验证决定系数(R_(val))和验证均方根差(RMSEP)可分别达到0.9089、0.00781、0.9879和0.00292。该模型可以更有效地优选建模所需波段,降低模型复杂度,降低多糖含量的检测成本,提高检测效率,实现云芝提取物多糖含量的快速、无损检测。     

大米直链淀粉含量的近红外光谱分析

大米的直链淀粉含量是影响大米蒸煮和加工特性的最重要因素之一,常被用作蒸煮米质构特性评价指标。该文对不同粒度、不同类型大米样品进行了近红外光谱分析,建立了大米直链淀粉含量的预测模型,（精米样品）预测值与化学分析值的相关系数达0.95。预测标准差、平均相对误差分别为0.56和3.1%。     

近红外光谱法在土壤有机质研究中的应用

近红外光谱技术(Near Infrared Reflectance Spectroscopy,NIRS)具有快速、低成本、无损等优点。目前利用NIRS获取土壤信息已成为国内外学者研究的重点,但是在我国利用NIRS对土壤成分进行定量分析才刚刚起步。本文简要介绍了近红外光谱分析的基本原理、模型的建立及评价,详细论述了该技术在预测土壤有机质及其组分方面的应用,并对NIRS在我国土壤有机质定量研究方面的应用前景进行了展望。     

基于近红外光谱技术的灵芝提取物掺假定量快速无损检测研究

为了探索快速测定灵芝提取物掺假(淀粉)含量的方法,采用近红外光谱扫描掺杂0%、5%、10%、20%、40%、60%、80%淀粉的灵芝提取物,对其光谱进行预处理和波段选择,并结合偏最小二乘法(PLS)建立灵芝提取物掺假定量快速无损检测方法。结果表明,使用多元散射校正(MSC)预处理方法,波数范围8 000~7 500、6 000~5 500和5 000~4 000cm~(-1),主因子数为8时,建立的偏最小二乘法模型的校正决定系数(R_(cal))、校正均方根差(RMSECV)、验证决定系数(R_(val))和验证均方根差(RMSEP)分别为0.9962、0.0249、0.9960和0.0241。运用该模型对验证集样品进行预测并统计分析,可知预测值与实际掺假值之间无显著差异。本研究为灵芝功能食品市场检测提供了方法基础。     

Quantitative Analysis of Chlorophyll and Protein in Alfalfa Leaves Using Fiber‐Optic Near‐Infrared Spectroscopy

The performance of near‐infrared (NIR) spectroscopy as a rapid technique for the estimation of chlorophyll and protein contents in alfalfa (Medicago sativa L.) was investigated. A fiber‐optic probe was employed directly on a total of 198 fresh leaves to measure spectra between 1100 and 2200 nm. Partial least squares (PLS) regression models were developed with a calibration set of 120 samples spanning a concentration range of 5.20–158.5 for the chlorophyll content index (CCI), 0.39–4.60 mg g^?1 (fresh weight) for the chlorophyll extracted with dimethylsulfoxide (DMSO), and 9.92–45.32% (dry matter) for protein content. The models obtained were validated with 78 independent samples. Standard errors of prediction of 12.49 were obtained for the CCI, 0.24 mg g^?1 for DMSO‐extracted chlorophyll, and 3.27% for the protein content. These results support the use of NIRS equipped with a fiber‐optic probe to monitor and assess the composition and quality of forages in a nondestructive way.     

近红外光谱联合CARS-PLS-LDA的山茶油检测

为了寻找快速判别山茶油掺假的检测方法,本研究利用近红外光谱技术对掺杂大豆没油山茶油进行掺假检测研究.试验在350～1 800 nm波段范围内采集样本的透射光谱,利用CARS方法筛选重要的波长变量,应用偏最小二乘-线性判别分析(PLS-LDA)建立山茶油掺假的判别模型,并与未经变量优选的判别模型进行比较.结果表明,近红外光谱技术联合CARS-PLS-LDA方法可以有效判别纯山茶油和掺假山茶油,校正集、预测集及独立样本组样本的判别正确率、灵敏度及特异性均为100％.CARS-PLS-LDA判别模型性能优于未经变量优选的判别模型,表明CARS方法可以有效筛选重要波长变量,能简化判别模型及提高判别模型的稳定性和判别精度.本研究可为山茶油掺假快速检测提供理论依据.     

基于可见/近红外反射光谱的梨树叶片钾含量的快速测定研究

利用可见/近红外反射光谱定量分析技术对梨树鲜叶钾素含量进行快速测定研究。对150个梨树叶片样本进行光谱扫描,其中120个做建模集,30个做验证集。通过对样品的可见/近红外光谱进行多种预处理,并建立钾素预测模型,探讨了可见/近红外光谱数据预处理对预测精度的影响。结果表明,通过原始光谱与S-G(3)平滑相结合的预处理方法,用17个主成分建立的偏最小二乘法模型最好,其交叉验证集和预测集模型的决定系数(R2)分别为0.722 7和0.679 1,交叉验证均方根误差(RMSECV)为1.171,预测的平均相对误差为6.81%,能高效、快速地预测梨树叶片钾素含量,为梨树钾素快速测定提供了新的手段。     

Use of Near Infrared Reflectance Spectroscopy (NIRS) for Predicting Soil Fertility and Historical Management

This study tests the potential of near infrared reflectance spectroscopy (NIRS) for predicting soil fertility and management history from topsoil (0–10 cm deep) spectra. Soil fertility was assessed by measuring the growth of a test plant, and soil management history was determined through inquiries with farmers. Moreover, NIRS predictive value was compared with that of a group of topsoil parameters: total carbon and nitrogen, nitrate, potential respiration and denitrification, and microbial biomass. Modelling used partial and modified partial least square regressions to ensure comparisons between predictions by NIRS versus by soil parameters. Soil fertility and management history were well predicted by NIRS (Q² = 0.78 and R² = 0.89 both; Q² and R² are cross-validation and calibration coefficients of determination, respectively), as were the soil parameters (Q² = 0.79–0.92 and R² = 0.86–0.98). Soil fertility and management history were more accurately predicted by NIRS than by the set of soil parameters.     

近红外漫反射光谱技术快速无损识别灵芝和云芝提取物研究

为了满足食用菌提取物实际生产监管需要,本研究采用近红外漫反射光谱技术对来自不同地区的灵芝和云芝提取物样品进行定性识别研究。在800~2 750nm波段范围,采集灵芝和云芝提取物的漫反射光谱,应用主成分聚类分析和偏最小二乘判别法分别建立识别模型,用146个样品进行建模和48个外部样品集进行验证。结果表明:采用主成分聚类判别分析法,灵芝和云芝提取物的判别界线清晰,正确率达到88.54%;采用偏最小二乘判别法,建立的鉴别分类模型能较好地对灵芝和云芝提取物进行鉴别,校正集和预测集样品的识别正确率均为100%。因此,近红外结合主成分聚类分析和偏最小二乘判别法识别灵芝和云芝提取物是可行的,同时研究结果为灵芝和云芝提取物的快速识别提供了理论依据和使用方法。     

花生籽仁中蔗糖含量近红外预测群体模型的建立及在突变体筛选中的应用

籽仁蔗糖含量是影响花生食味品质的重要因素。为了建立花生籽仁中蔗糖含量的高效检测技术,本研究采集了149份花生籽仁的近红外光谱,结合化学法测定籽仁蔗糖含量,采用偏最小二乘法 (PLS) 构建花生籽仁蔗糖含量近红外预测群体模型。结果显示,预测模型的决定系数(R²)为0.898,校正标准偏差(SEC)为0.253,20份外部验证材料的预测值和化学值的R²为0.873,预测模型具有较高的可信度,运用该模型筛选徐花17号诱变群体,从1 965份M₂单株籽仁中获得4份的突变体。本研究为优质食味花生种质资源的筛选和品种选育奠定了基础。     

Rapid Determination of Carbon,Nitrogen, Silicon,Phosphorus, and Potassium in Sugar Mill By-products,Mill Mud,and Ash using Near Infrared Spectroscopy

This article describes a proof-of-concept exercise to examine the ability of near infrared spectroscopy (NIRS)–based methods to predict the major nutrient properties of sugar mill by-products, particularly mill mud, ash, and mixtures of mud and ash. Sixty mill mud, mixed mud/ash, and ash samples were subsampled three times and analyzed using traditional analytical techniques for carbon (C), nitrogen (N), silicon (Si), phosphorus (P), and potassium (K), and the NIR spectra were recorded. Two different partial least squares (PLS) regression models were constructed, one using all samples and the other without the ash samples included in the model development. Three mud, one mixed mud/ash, and two ash samples were retained for predictive purposes and were not included in the model development process. R² values in the range of 0.77 to 0.98 were obtained for all constituents across both sets of PLS models. The standard errors of prediction (SEP) were similar for both models for N (0.10 and 0.08), P (0.17 and 0.16), and K (0.05 and 0.05). However, the SEP obtained for Si (3.53 and 1.04) and C (1.92 and 1.00) varied between the two models. These preliminary results are very encouraging. Future research will extend to robust NIRS calibrations for these nutrients and develop applications for their use within laboratory or field situations to permit nutrient monitoring in various sugar mill by-products.     

最优线性回归分析VBA程序设计

采用成熟多元逐步线性回归算法,设计了基于EXCEL VBA语言的程序,从EXCEL中获取数据,计算完成再将结果输出到EXCEL中,可以简化数据的录入或编辑。     

可见-近红外与中红外光谱预测土壤养分的比较研究

对土壤养分的快速和准确测定有助于适时指导施肥。为进一步研究可见-近红外（350～2500 nm）与中红外光谱（4000～650 cm-1）对土壤养分的预测能力,以贵州省500个土样为例,对光谱进行Savitzky-Golay（SG）平滑去噪处理,再用标准正态化（SNV）方法进行基线校正,然后分别应用偏最小二乘回归（PLSR）和支持向量机（SVM）两种方法进行建模,探讨了可见-近红外和中红外光谱对土壤全氮（TN）、全磷（TP）、全钾（TK）和碱解氮（AN）、有效磷（AP）、速效钾（AK）共六种土壤养分的预测效果。结果表明：（1）无论基于可见-近红外光谱还是中红外光谱,PLSR模型的预测精度整体均优于SVM模型。（2）中红外光谱对TN、TK和AN的预测精度均显著高于可见-近红外光谱,可见-近红外和中红外光谱均可以可靠地预测TN和TK（性能与四分位间隔距离的比率（RPIQ）大于2.10）,中红外光谱可相对较可靠地预测AN（RPIQ=1.87）;但两类光谱对TP、AP和AK的预测效果均较差（RPIQ<1.34）。（3）当变量投影重要性得分（VIP）大于1.5时,PLSR模型在中红外光谱区域预测TN和TK的重要波段多于可见-近红外光谱区域,TN的重要波段主要集中于可见-近红外光谱区域的1910和2207 nm附近,中红外光谱区域的1 120、1 000、960、910、770和668 cm-1附近;TK的重要波段主要集中于可见-近红外光谱区域的540、2176、2225和2268 nm附近,中红外光谱区域的1 040、960、910、776、720和668 cm-1附近。因此,中红外光谱技术结合PLSR模型对土壤养分预测效果较好,可快速准确预测土壤TN和TK,可为指导适时施肥提供技术支撑。     

Comparison of Near Infrared Reflectance Spectroscopy with Combustion and Chemical Methods for Soil Carbon Measurements in Agricultural Soils

As interest in soil organic carbon (SOC) dynamics increases, so do needs for rapid, accurate, and inexpensive methods for quantifying SOC. Objectives were to i) evaluate near infrared reflectance (NIR) spectroscopy potential to determine SOC and soil organic matter (SOM) in soils from across Tennessee, USA; and ii) evaluate potential upper limits of SOC from forest, pasture, no-tillage, and conventional tilled sites. Samples were analyzed via dry-combustion (SOC), Walkley–Black chemical SOM, and NIR. In addition, the sample particle size was classified to give five surface roughness levels to determine effects of particle size on NIR. Partial least squares regression was used to develop a model for predicting SOC as measured by NIR by comparing against SOM and SOC. Both NIR and SOM correlated well (R² > 0.9) with SOC (combustion). NIR is therefore considered a sufficiently accurate method for quantifying SOC in soils of Tennessee, with pasture and forested systems having the greatest accumulations.Abbreviations SOC, soil organic carbon; NIR, Near Infrared Reflectance Spectroscopy; MTREC, Middle Tennessee Research and Education Center; RECM, Research and Education Center at Milan; PREC, Plateau Research and Education Center; PLS, Partial least squares.     

基于近红外图像纹理分析检测作物叶片含水率的研究

利用水分子对９６０ｎｍ附近的红外光有较强的吸收这一特性,采用图像处理技术中纹理分析的灰度梯度共生矩阵法分别对两种作物（苞菜和青菜）叶片的近红外图像求出各自的特征量。实验结果表明,特征量与叶片干基含水率之间的线性关系不仅和特征量有关,而且和拍摄图像时的实验因素（如摄像头的工作距离,光圈,光强等）有关,另外还取决于梯度图像灰度级的数目。     

Specific Leaf Area and Leaf Nitrogen Concentration of Lantana in Response to Light Regime and Triazole Treatment

Abstract

The paclobutrazol (0, 50, 100, 200, and 500 mg L^?1) and triapenthenol (175, 350, 700, and 1400 mg L^?1) effects on specific leaf area (SLA) and leaf nitrogen (LN) concentration of Lantana camara L. (subsp. camara) under the shading levels 0%, 27%, and 66% were determined in glasshouse experiments. In most cases, increased concentrations of paclobutrazol and triapenthenol decreased SLA and increased LN of plants logarithmically at all shading levels. The SLA, at all concentrations examined, was generally increased with increased shading; LN showed an increase at 66% shading compared to 0% shading in the case of triapenthenol. The SLA reduction of paclobutrazol‐treated plants in relation to untreated plants of the same shading level was 18% to 37%; reduction was 49% to 73% for plants treated with triapenthenol at 0% shading, indicating a greater effect of triapenthenol on SLA reduction than paclobutrazol at previous shading.     

基于可见-近红外光谱技术的蜜源快速识别方法

蜂蜜蜜源决定了蜂蜜的药用价值。为了实现快速无损识别蜂蜜蜜源,提出了基于可见-近红外光谱技术结合机器学习的方法来实现蜂蜜蜜源的快速无损识别。该研究采集来自4个蜜源共232份蜂蜜样本光谱数据,随机选取其中212个样本用来构建分类器,剩余20个样本进行分类器泛化学习能力的检验评估。光谱数据预处理采用基线校正,数据标准化和平滑消除干扰和噪声。基于一对多分类规则,采用主成分分析结合贝叶斯线性判别构造线性多分类器,并就分类效果和泛化学习能力与前向神经网络器构成的非线性分类器进行比较。结果表明：基于主成分分析结合贝叶斯线性判别构造的多分类器分类正确率为91.95%,前向神经网络的分类正确率为100%。该研究也表明应用可见-近红外技术对蜂蜜蜜源进行快速分类是可行的。     

近红外光谱技术快速无损诊断黄瓜植株氮、镁元素亏缺

为了快速无损诊断黄瓜植株氮、镁元素亏缺,以K-最近邻域法（k-nearest neighbors, KNN）模型识别率作为遗传算法中染色体的适应度值,采用遗传算法（genetic algorithm, GA）优选近红外光谱特征子区间,交互验证优化主成分因子数和K值后建立了特征子区间对应的GA-KNN诊断模型。通过控制营养液中氮和镁的含量,在温室大棚内以无土栽培方式培育氮、镁元素亏缺植株,并用近红外光谱仪采集缺氮、缺镁植株老叶的光谱信息。结果表明：原始光谱经过标准正交变换预处理和子区间总数优化后,均匀划分为     

除草剂胁迫下大麦叶片丙二醛含量的光谱快速检测方法

丙二醛(MDA)是植物衰老和抗性生理研究中的一个重要指标,传统检测方法程序复杂,检测费时。该研究应用近红外光谱技术实现了除草剂胁迫下大麦叶片丙二醛(MDA)含量的简便、无损、快速检测。采集75个大麦叶片样本的近红外光谱数据,比较了Savitzky-Golay平滑(SG)、变量标准化(SNV)、多元散射校正(MSC)等7种预处理方法,建立了大麦叶片丙二醛含量预测的最优偏最小二乘法(PLS)模型,将PLS提取的特征向量(LV)作为最小二乘-支持向量机(LS-SVM)模型的输入变量,建立了LV-LS-SVM模型。选用回归系数(RC)方法提取原始光谱的特征波长,将其分别作为PLS、MLR和LS-SVM的输入变量建立相应模型。将相关系数(r)和预测集均方根误差(RMSEP)作为模型的主要评价指标。结果表明,LV-LS-SVM模型效果优于PLS模型,LV-LS-SVM模型在SNV及MSC预处理后预测效果相同,其预测的r和RMSEP分别为0.9383和10.4598,获得了满意的预测效果。说明应用光谱技术检测大麦叶片中MDA含量是可行的,且预测精度较高,为大麦生长状况的大田监测及除草剂胁迫对大麦抗性等生理信息的快速检测提供了新的途径。     

应用伽马射线和可见近红外光谱测定土壤容重

现有的土壤容重测定方法存在诸多不足,不能满足快速发展的精准农业、生态环境模拟、土壤碳储量估算等对大量、准确容重数据的需求。鉴于此,有研究提出γ射线衰减与可见-近红外并用测定土壤容重的方法,并成功地将该方法应用于土壤碳储量估算中,得到了较好的应用结果。为了检验该方法在我国南方丘陵区土壤容重测定上的准确性和适用性,本研究采集了广西南宁丘陵区的土壤样品,使用该方法计算出土壤容重,并与传统环刀采样烘干称重法的容重结果进行比较。结果表明,两者测定的土壤容重具有较高的回归决定系数,R~2可达0.92,且两者间的均方根误差较低,仅占土壤容重平均值的4.48%。因此,本研究认为,γ射线衰减与可见-近红外并用测定土壤容重在我国南方丘陵区有较好的准确性和适用性。