[Objective] This study was conducted to evaluate the feasibility of deter- mining crude protein in ramie using near-infrared （NIR） spectrometer. [Method] Par- tial least square regression （PLSR） was performed to e...[Objective] This study was conducted to evaluate the feasibility of deter- mining crude protein in ramie using near-infrared （NIR） spectrometer. [Method] Par- tial least square regression （PLSR） was performed to establish a calibration model based on 50 samples for predicting the crude protein content in ramie, and the model was validated with data in the validation set consisting of 10 samples. [Result] The correlation coefficient of the model was 0.98. There was a good correla- tion between the predicted values by the near-infrared prediction model and the measured values by chemical analysis, and the relative error was 3.54% on aver- age between the predicted and the measured values. [Conclusion] The results showed that it is feasible to determine crude protein content in ramie using NIR spectroscopy-based prediction model.展开更多
The general strategy and method of constructing universal calibration model for levofioxacin injections by near-infrared spectroscopy have been investigated and discussed. Firstly, a constant-temperature homogeneous l...The general strategy and method of constructing universal calibration model for levofioxacin injections by near-infrared spectroscopy have been investigated and discussed. Firstly, a constant-temperature homogeneous liquid calibration model for levofloxacin hydrochloride injections with the same composition but different active principal ingredient （API） content was established as the basic unit for universal model. Then, samples of levofloxacin hydrochloride injections containing propylene glycol or levofloxacin lactate injections were added to develop a primary constant-temperature liquid universal model. Temperature- amended final universal model was established to apply to samples under different temperatures. The final model was built from 61 calibration samples and 77 validation samples. The value of the root mean square error of cross validation （RMSECV） and coefficient of determination （r2） of leave-one-out cross-validation （LOOCV） were 0.792 and 0.9993, respectively, the root mean square error of prediction （RMSEP） of test set validation （TSV） was 0.87, and the average relative deviation was 1.44%. According to the ICH guidelines, the universal calibration model was evaluated. Based on the experimental statistical results, the recommended number of calibration samples for a constant-temperature homogeneous liquid quantitative model was no less than 15.展开更多
为评估交通管控策略的环境效益,提出有效融合微观交通仿真模型和微观车辆排放模型的方法。利用VISSIM平台构建案例微观交通仿真模型,提出基于轨迹数据的不同速度区间的加减速特征,应用K-means聚类方法划分4种驾驶行为,通过驾驶特性标定...为评估交通管控策略的环境效益,提出有效融合微观交通仿真模型和微观车辆排放模型的方法。利用VISSIM平台构建案例微观交通仿真模型,提出基于轨迹数据的不同速度区间的加减速特征,应用K-means聚类方法划分4种驾驶行为,通过驾驶特性标定仿真模型全局参数,描述了参数总敏感度以及参数之间相互作用的敏感度。利用DBSCAN(density-based spatial clustering of applications with noise)聚类分析并标定局部参数值,优化了参数标定流程。计算仿真轨迹工况,本地化MOVES(motor vehicle emission simulator)微观排放模型,得到交叉口不同流向和不同驾驶行为下的HC、CO、NO_(x)、CO_(2)排放。研究表明:仿真模型优化效果显著,所提方法可精确识别高排放的空间位置,解析排放与驾驶行为之间的联系。应用DBSCAN聚类分析参数寻优值有助于实现自动化标定流程,全局参数标定将速度分布χ^(2)误差由0.6327降至0.1306,加速度分布χ^(2)误差由0.1441降至0.0528,对于环境视角下仿真模型构建至关重要。展开更多
采用傅里叶变换近红外光谱仪结合积分球附件对20个液体咖啡样品以漫反射方式采集近红外光谱,分别针对速溶咖啡、植脂末、糖建立定量校正模型。结果表明,速溶咖啡、植脂末、糖的模型因子数分别为4,5和4;测定系数(R2)分别为98.97%,99.94%...采用傅里叶变换近红外光谱仪结合积分球附件对20个液体咖啡样品以漫反射方式采集近红外光谱,分别针对速溶咖啡、植脂末、糖建立定量校正模型。结果表明,速溶咖啡、植脂末、糖的模型因子数分别为4,5和4;测定系数(R2)分别为98.97%,99.94%和99.18%;校正均方根误差(root mean square error ofcalibration,RMSEC)分别为1.62,0.42和1.58;交互验证均方根误差(root mean square error of cross vali-dation,RMSECV)分别为2.12,0.72和2.01;F检验结果表明,三个模型的预测值-化学值之间存在极显著的相关关系。研究表明,近红外光谱法可以快速、准确地对液体咖啡中的三种主要成分同时进行定量测定,可为液体咖啡质量控制以及液体配方食品中具有一定组成的混合物的定量测定提供一定的参考。展开更多
文摘[Objective] This study was conducted to evaluate the feasibility of deter- mining crude protein in ramie using near-infrared （NIR） spectrometer. [Method] Par- tial least square regression （PLSR） was performed to establish a calibration model based on 50 samples for predicting the crude protein content in ramie, and the model was validated with data in the validation set consisting of 10 samples. [Result] The correlation coefficient of the model was 0.98. There was a good correla- tion between the predicted values by the near-infrared prediction model and the measured values by chemical analysis, and the relative error was 3.54% on aver- age between the predicted and the measured values. [Conclusion] The results showed that it is feasible to determine crude protein content in ramie using NIR spectroscopy-based prediction model.
基金National Science and Technology Major Project of the Ministry of Science and Technology of China(Grant No. 2010ZX09401-403)
文摘The general strategy and method of constructing universal calibration model for levofioxacin injections by near-infrared spectroscopy have been investigated and discussed. Firstly, a constant-temperature homogeneous liquid calibration model for levofloxacin hydrochloride injections with the same composition but different active principal ingredient （API） content was established as the basic unit for universal model. Then, samples of levofloxacin hydrochloride injections containing propylene glycol or levofloxacin lactate injections were added to develop a primary constant-temperature liquid universal model. Temperature- amended final universal model was established to apply to samples under different temperatures. The final model was built from 61 calibration samples and 77 validation samples. The value of the root mean square error of cross validation （RMSECV） and coefficient of determination （r2） of leave-one-out cross-validation （LOOCV） were 0.792 and 0.9993, respectively, the root mean square error of prediction （RMSEP） of test set validation （TSV） was 0.87, and the average relative deviation was 1.44%. According to the ICH guidelines, the universal calibration model was evaluated. Based on the experimental statistical results, the recommended number of calibration samples for a constant-temperature homogeneous liquid quantitative model was no less than 15.
文摘为评估交通管控策略的环境效益,提出有效融合微观交通仿真模型和微观车辆排放模型的方法。利用VISSIM平台构建案例微观交通仿真模型,提出基于轨迹数据的不同速度区间的加减速特征,应用K-means聚类方法划分4种驾驶行为,通过驾驶特性标定仿真模型全局参数,描述了参数总敏感度以及参数之间相互作用的敏感度。利用DBSCAN(density-based spatial clustering of applications with noise)聚类分析并标定局部参数值,优化了参数标定流程。计算仿真轨迹工况,本地化MOVES(motor vehicle emission simulator)微观排放模型,得到交叉口不同流向和不同驾驶行为下的HC、CO、NO_(x)、CO_(2)排放。研究表明:仿真模型优化效果显著,所提方法可精确识别高排放的空间位置,解析排放与驾驶行为之间的联系。应用DBSCAN聚类分析参数寻优值有助于实现自动化标定流程,全局参数标定将速度分布χ^(2)误差由0.6327降至0.1306,加速度分布χ^(2)误差由0.1441降至0.0528,对于环境视角下仿真模型构建至关重要。
文摘采用傅里叶变换近红外光谱仪结合积分球附件对20个液体咖啡样品以漫反射方式采集近红外光谱,分别针对速溶咖啡、植脂末、糖建立定量校正模型。结果表明,速溶咖啡、植脂末、糖的模型因子数分别为4,5和4;测定系数(R2)分别为98.97%,99.94%和99.18%;校正均方根误差(root mean square error ofcalibration,RMSEC)分别为1.62,0.42和1.58;交互验证均方根误差(root mean square error of cross vali-dation,RMSECV)分别为2.12,0.72和2.01;F检验结果表明,三个模型的预测值-化学值之间存在极显著的相关关系。研究表明,近红外光谱法可以快速、准确地对液体咖啡中的三种主要成分同时进行定量测定,可为液体咖啡质量控制以及液体配方食品中具有一定组成的混合物的定量测定提供一定的参考。
