不同合成树脂工艺对改性材性能影响研究

为研究树脂对改性材性能的影响，采用2种不同工艺合成三聚氰胺-脲醛树脂（MUF），测试了树脂的相关性能。结果表明，不同合成工艺路线下制备的 MUF 树脂在固体含量、粘度、固化时间、游离甲醛含量间存在显著差异。最终树脂的分子结构类型相似性极高，但相同结构组分在不同树脂中所占比例各有差异。羟甲基基团在MUF2中所占比例高，而亚甲基桥键及醚键在MUF1中含量高。MUF1改性材的增重率（weight percent gain，WPG）值更大，但MUF2改性材的抗溶胀性（anti-swelling efficiency，ASE）和体积膨胀率（bulking rates，B）更高，MUF2改性材的尺寸稳定性更好。     

玉米粉淀粉含量近红外模型建立与优化

以230份玉米自交系为样本，采用旋光法与一阶导数及去一条直线的光谱预处理法，构建玉米粉样淀粉含量的近红外分析（NIRS）模型。研究标明，该模型可显著提高子粒淀粉含量预测的准确性。该模型的定标标准偏差（RMSEE）、交叉验证标准偏差（RMSECV）、外部验证标准偏差（RMSEP）、定标相关系数（R_cal²）、交叉验证相关系数（R_cv²）、外部验证相关系数（R_cv²）分别为0.609、0.722、0.738、0.909、0.864和0.854。建立的玉米粉样NIRS模型可将预测值与化学值偏差控制在1.7%内，能够准确定量分析玉米子粒淀粉含量，应用于育种材料早期筛选及群体水平粗淀粉分析。     

农田水样中微囊藻毒素-LR拉曼检测方法的研究

本研究建立了基于表面增强拉曼散射技术(Surface-enhanced Raman scattering,SERS)的农田水样中微囊藻毒素-LR(Microcystin-LR,MC-LR)的检测方法。采用柠檬酸钠还原法制备金种(Au nanoparticles,Au NPs),通过媒介增长法制备了刺状金纳米颗粒(Spiny gold nanoparticles,SGNPs),使用紫外-可见吸收光谱(Ultraviolet visible,UV-vis)、透射电镜(Transmission electron microscopy,TEM)和探针分子(对巯基苯甲酸,4-mercaptobenzoic acid,4-MBA)对SGNPs进行了表征及鉴定。研究以三角状金纳米颗粒作为基底,选择MC-LR在1 007 cm~(-1)和1 309 cm~(-1)处的特征峰作为定量峰,激光器激发波长为785 nm,积分时间20 s,建立检测方法。本研究建立的检测方法在1.0～100 000μg·L~(-1)的浓度范围内具有良好的线性关系,检测限(LOD)和回收率分别为1.0μg·L~(-1)和80%～102%,使用本方法对镇江市内运粮河及古运河的灌溉水样进行检测,MC-LR的检出率为40%,含量最高达1.81μg·L~(-1),检测结果与LC-MS/MS比对,相关系数为0.84。本研究建立的方法快速准确,前处理简单,能满足农田水样中MC-LR的现场快速检测的要求。     

The use of infrared spectroscopy and machine learning tools for detection of Meloidogyne infestations

Plant parasitic nematodes are generally soilborne pathogens that attack plants and cause economic losses in many crops. The infested plants show nonspecific symptoms or, often, are symptomless; therefore, diagnosis is performed by taking soil and root tissue samples. Here, we show that a combination of different infrared spectra analysis and machine learning algorithms can be used to detect plant parasitic nematode infestations before symptoms become visible, using leaves instead of roots and soil as samples. We found that tomato and guava plants infested with Meloidogyne enterorlobii produced different spectral patterns compared to uninfested plants. Using partial spectra from 1,450 to 900/cm as the "fingerprint region", principal component analyses indicated that after 5 (tomatoes) or 8 weeks (guava), plants with no visible symptoms of infestations were positively diagnosed. To improve the early detection response, we used machine learning modelling. A support vector machine (SVM) was used to obtain more robust, accurate models. The SVM model contained 34 support vectors, 17 for each level. The overall performance of the model was >97% and the total accuracy was significantly higher, demonstrating the absence of chance prediction. The best prediction of infestation was obtained at the second and fourth weeks for tomatoes and guavas, respectively, reducing the diagnostic time by half. The combined application of these techniques reduces the processing time from field to laboratory and shows enormous advantages by avoiding root and soil sampling.     

Feasibility analysis of NIR for detecting sweet corn seeds vigor

This paper explores the feasibility of particle-based detection and grading of seed vigor based on a self-built seed single-granulation device using near infrared spectroscopy (NIRS). Sweet corn with uniform kernel size was used for this study. The seed samples were divided into three types, they were normal seeds, artificially aged seeds and heat-damaged seeds. A 2-part spectral acquisition of each seed were performed, one for the collection of seeds that fall into the detection zone within the separation pipe, another was on the static platform, whose collection was performed on 5 faces of each seed. Partial least squares discriminant analysis (PLS-DA) was used to classify the original data of the seeds. In the 2 parts, the discriminant results of the unprocessed normal seeds and the artificial accelerated aging seeds, the untreated normal seeds and the heat-damaged seeds showed that classification accuracy was higher than 98%. The research indicates that the spectral data of different positions of seeds can reflect their activity information, and it is feasible to detect and classify seeds in real time in the detection area of the separation pipeline.     

FT-Raman and FT-IR studies of the gluten structure as a result of model dough supplementation with chosen oil pomaces

The pomaces obtained after cold pressing oil production from oil seeds can be regarded as a source of many valuable nutrients such as unsaturated fatty acids, dietary fibre and antioxidants. The aim of the research was to determine the effect of five oil pomaces from black seed, hemp, pumpkin, milk thistle and primrose on the structure of gluten proteins. The model dough was supplemented with 3%, 6%, and 9% of the pomaces. Structural changes in gluten proteins were studied using Fourier transform Raman spectroscopy (FT-Raman) and Fourier transform infrared spectroscopy (FT-IR). Additionally, chemical composition of the pomaces was determined. Changes observed in the gluten structure resulting from the model dough supplementation with oil pomaces allow the pomace to be divided into two groups depending on the type and amount of fatty acids present in the pomaces. If the pomace contains a low number of fatty acids (black seed and pumpkin), pseudo-β-sheets are formed from β-turns and antiparallel-β-sheets in the gluten network. If the pomace contains a high number of fatty acids, non-aggregated β-structures are observed. Although the pomaces contain considerable amount of dietary fibre and polyphenols, comparison of the observed structural changes in gluten network with pomaces’ chemical composition indicates that the changes are connected with presence of fatty acids.     

不同波长选择方法在土壤有机质含量检测中对比研究

由于近红外光谱数据的多重共线性，特征波长选择一直是近红外光谱分析技术的重要研究内容。以108个土壤样本光谱数据和土壤有机质(SOM)含量为研究对象，以连续投影算法（SPA）、间隔偏最小二乘法（IPLS）、竞争自适应重加权采样法（CARS）三种典型的特征波长选择算法进行近红外光谱波长选择和土壤有机质含量建模。研究结果表明，基于上述三种方法提取的特征波长所建立的模型预测能力均优于全谱模型。其中，基于SPA算法的MLR预测模型精度最优，预测集相关系数（Rp）和均方根误差（RMSEP）分别为0970 2和1.214 4，模型参数只有6个。因此，SPA-MLR可以有效地应用近红外光谱的建模，并且简化模型的复杂度，提高模型的计算效率。     

宁夏玉米营养成分近红外分析模型建立与应用

研究采集宁夏区内各市县(固原、海原、同心、中卫、中宁、永宁、平罗)抽取玉米样品120批,用近红外分析仪扫描定标样品集获得玉米近红外光谱图,利用偏最小二乘法建立模型,并分别经过无预处理、均值中心化、标准正态变量转换、一阶导数、标准正态变量转换结合去趋势校正(SNV+D)预处理光谱,获得水分、粗蛋白、粗脂肪、粗纤维预测模型,分别是经过MC、SNV+D、SNV+D、SNV+D光谱预处理后效果最好。预测决定系数R² _p分别为0.951、0.976、0.728、0.897,相对分析误差RPD除粗脂肪为2.62外,其他均大于3的近红外预测模型,通过预测模型验证集验证后,并对模型预测值与实测值进行U检验,结果为差异不显著(P>0.05)。该近红外预测模型对玉米中水分、粗蛋白、粗纤维具有较佳预测效果,粗脂肪的预测精度有待进一步提高。     

基于无人机成像高光谱影像的冬小麦LAI估测

利用无人机Cubert UHD185 Firefly成像光谱仪和ASD光谱仪获取了冬小麦挑旗期、开花期和灌浆期的成像和非成像高光谱以及LAI数据。首先,对比ASD与UHD185光谱仪数据光谱反射率,评价两者精度;然后,选取7个光谱参数,分析其与冬小麦3个生育期LAI的相关性,并使用线性回归和指数回归挑选出最佳估测参数;最后利用多元线性回归、偏最小二乘、随机森林、人工神经网络和支持向量机构建了冬小麦3个不同生育期LAI的估测模型。结果表明:UHD185光谱仪光谱反射率在红边区域与ASD光谱仪趋势一致性很高,反射率在挑旗期、开花期、灌浆期的R^2分别为0.9959、0.9990和0.9968,UHD185光谱仪数据精度较高;7种光谱参数在挑旗期、开花期、灌浆期与LAI相关性最高的参数分别是NDVI(r=0.738)、SR(r=0.819)、NDVI×SR(r=0.835);LAI-MLR为冬小麦LAI的最佳估测模型,其中开花期拟合性最好,精度最高(建模R^2=0.6788、RMSE为0.69、NRMSE为19.79%,验证R^2=0.8462、RMSE为0.47、NRMSE为16.04%)。