...
  • 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Journal of spectroscopy >Using Compact 1H NMR, NIR, and Raman Spectroscopy Combined with Multivariate Data Analysis to Monitor a Biocatalyzed Reaction in a Microreaction System
【24h】

Using Compact 1H NMR, NIR, and Raman Spectroscopy Combined with Multivariate Data Analysis to Monitor a Biocatalyzed Reaction in a Microreaction System

机译：使用紧凑型1H NMR，NIR和拉曼光谱结合多元数据分析来监测微反应系统中的生物催化反应

获取原文
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

Process analytical technology aims at process knowledge and process improvement, efficiency, and sustainability. A prerequisite is process monitoring. The combination of microreaction systems and spectroscopy proved suitable due to dimension and compound reduction and real-time monitoring capabilities. Compact 1H NMR, NIR, and Raman spectroscopy were used to monitor the biocatalyzed hydrolysis and esterification of acetic anhydride to isoamyl acetate using immobilized Candida antarctica lipase B (CALB) in a microreaction system in real-time. To facilitate the identification of signals suitable for the extraction of concentration-time (c-t) graphs, 2D heterocorrelation spectra were generated through covariance transformations applied to 1D Raman, NIR, and NMR data. By means of this purely mathematical statistical procedure, the relevant signals of the process media were assigned to educts and products and thus made applicable for univariate data evaluation. The data obtained were interpreted in terms of a first-order kinetic model, and corresponding reaction rate constants were extracted. An alternative, elegant, and fit-for-automation approach for the kinetic analysis of the spectra was demonstrated in using multivariate curve resolution (MCR). The results of the univariate and multivariate approaches were comparable with regard to reaction rates and concentrations. While the manual integration of the 1H NMR spectra followed by univariate analysis allowed to establish a concentration profile of the final product isoamyl acetate hence revealing more details, multivariate analysis was found more suitable for process automation.
机译：过程分析技术的目标是过程知识和过程改进，效率和可持续性。前提条件是过程监视。微反应系统和光谱学的结合被证明是合适的，这归因于尺寸和化合物的减少以及实时监测能力。紧凑的1H NMR，NIR和拉曼光谱用于在微反应系统中实时监测固定化南极假丝酵母脂肪酶B（CALB）对乙酸酐生物催化水解和酯化为乙酸异戊酯的作用。为便于识别适合提取浓度时间（c-t）图的信号，通过对1D拉曼光谱，NIR和NMR数据进行协方差转换，生成了2D异相关光谱。通过这种纯粹的数学统计程序，过程介质的相关信号被分配给了离析物和产品，因此可用于单变量数据评估。根据一阶动力学模型解释获得的数据，并提取相应的反应速率常数。使用多元曲线分辨率（MCR）展示了一种可选的，优雅的，适合自动化的光谱动力学分析方法。就反应速率和浓度而言，单变量和多变量方法的结果是可比的。虽然1H NMR谱图的手动积分后进行单变量分析可以建立最终产物乙酸异戊酯的浓度曲线，从而揭示了更多细节，但发现多变量分析更适合过程自动化。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号