应用近红外光谱分析技术结合化学计量学方法,建立了中药清开灵注射液中间体总氮和栀子苷含量测定的新方法.首先采用Kernard-Stone法对训练集样本和预测集样品进行分类,然后应用组合的间隔偏最小二乘法(Synergy interval partial least s...应用近红外光谱分析技术结合化学计量学方法,建立了中药清开灵注射液中间体总氮和栀子苷含量测定的新方法.首先采用Kernard-Stone法对训练集样本和预测集样品进行分类,然后应用组合的间隔偏最小二乘法(Synergy interval partial least squares,siPLS)对所得近红外透射光谱进行有效谱段范围的选择以及二者定量校正模型的建立,并对光谱预处理方法进行了详细的讨论.所建立的总氮和栀子苷校正模型的预测相关系数(R)分别为0.999和0.708;交叉验证误差均方根(RMSECV)均为0.023;预测误差均方根(RMSEP)分别为0.074和0.159;预测结果表明,本实验所建方法快速、无损且可靠,可推广并应用于中药注射液中间体的在线质量控制.展开更多
Nitrogen content is an important parameter for petroleum refining processes. The combined use of mid-infrared attenuated total reflection spectroscopy and multivariate calibration allows accurate determination of nitr...Nitrogen content is an important parameter for petroleum refining processes. The combined use of mid-infrared attenuated total reflection spectroscopy and multivariate calibration allows accurate determination of nitrogen content in petroleum and its products. The calibration models of nitrogen content in crude oils have been established by partial least squares (PLS) method. The results predicted by this method were very close to those determined by standard methods. Compared with standard methods, this method is provided with advantages such as high-speed, simplicity and good-repeat- ability without any needs for pretreatment.展开更多
文摘应用近红外光谱分析技术结合化学计量学方法,建立了中药清开灵注射液中间体总氮和栀子苷含量测定的新方法.首先采用Kernard-Stone法对训练集样本和预测集样品进行分类,然后应用组合的间隔偏最小二乘法(Synergy interval partial least squares,siPLS)对所得近红外透射光谱进行有效谱段范围的选择以及二者定量校正模型的建立,并对光谱预处理方法进行了详细的讨论.所建立的总氮和栀子苷校正模型的预测相关系数(R)分别为0.999和0.708;交叉验证误差均方根(RMSECV)均为0.023;预测误差均方根(RMSEP)分别为0.074和0.159;预测结果表明,本实验所建方法快速、无损且可靠,可推广并应用于中药注射液中间体的在线质量控制.
文摘探究广西北部湾经济区(以下简称“研究区”)2001-2020年生态系统健康时空动态变化特征,可为研究区生态系统健康和社会经济可持续发展提供数据支持与理论参考。耦合“活力组织弹性”(Vigor Organization Resilience,VOR)模型、生态系统服务和权衡的综合评估(Integrated Valuation of Ecosystem Services and Trade offs,InVEST)模型构建生态系统健康多指标评价体系,并建立最小二乘法优化赋权模型对各评价指标进行优化赋权,对研究区生态系统健康状况进行评价与分析。结果表明:①研究区近20年来生态系统健康等级为三级的区域面积占研究区总面积的85%左右,且处于相对较为稳定的变化状态,研究区生态系统健康整体处于一般健康水平以上;②研究区生态系统健康状况总体上呈现北部、西部和南部地区优于中部和东部地区的空间分布差异;③研究区生态系统健康等级转移呈现以稳定型为主、退化型面积略大于改善型面积的空间变化特征,生态系统健康状况总体呈现轻微恶化趋势;④对研究区6个城市的生态系统健康从时间尺度和空间尺度对比分析发现,崇左、防城港、钦州3市生态系统健康状况变化较为明显,而南宁、玉林、北海3市相对较为平缓,但各市健康等级空间分布变化趋势较为吻合。本研究结果对推动广西北部湾经济区生态文明建设协调发展具有实际意义。
文摘Nitrogen content is an important parameter for petroleum refining processes. The combined use of mid-infrared attenuated total reflection spectroscopy and multivariate calibration allows accurate determination of nitrogen content in petroleum and its products. The calibration models of nitrogen content in crude oils have been established by partial least squares (PLS) method. The results predicted by this method were very close to those determined by standard methods. Compared with standard methods, this method is provided with advantages such as high-speed, simplicity and good-repeat- ability without any needs for pretreatment.
文摘针对选择性催化还原(selective catalytic reduction,SCR)脱硝系统反应过程复杂,在工况变化时存在非线性、大惯性和强干扰性的特点,难以建立准确的出口NO_x排放浓度模型。利用核偏最小二乘法具有解决变量众多且存在严重相关的非线性工业过程建模的优点,首先引入正交信号校正(orthogonal signal correction,OSC)对相空间重构后的样本进行预处理,剔除与建模无关的信息;然后利用组合核偏最小二乘法(combination kernel partial least squares,CKPLS)具有较好的学习能力和泛化能力的特点,提出OSC-CKPLS方法提高模型性能;最后采用滑动窗口更新,并反馈补偿修正模型。对2个标准数据集进行仿真,分别验证CKPLS、OSC和OSC-CKPLS能够提高模型性能;并对SCR脱硝系统现场数据验证了本文方法的有效性。