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Raman Spectroscopy and Chemometrics for On-Line Control of Glucose Fermentation by Saccharomyces cerevisiae

机译:拉曼光谱和化学计量学用于酿酒酵母在线控制葡萄糖发酵

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摘要

This work presents the use of Raman spectroscopy and chemometrics for on-line control of the fermentation process of glucose by Saccharomyces cerevisiae. In a first approach, an on-line determination of glucose, ethanol, glycerol, and cells was accomplished using multivariate calibration based on partial least squares (PLS). The PLS models presented values of root mean square error of prediction (RMSEP) of 0.53, 0.25, and 0.02% for glucose, ethanol and glycerol, respectively, and RMSEP of 1.02 g L~(-1) for cells. In a second approach, multivariate control charts based on multiway principal component analysis (MPCA) were developed for detection of fermentation fault-batch. Two multivariate control charts were developed, based on the squared prediction error (Q) and Hotelling's T . The use of the Q control chart in on-line monitoring was efficient for detection of the faults caused by temperature, type of substrate and contamination, but the T control chart was not able to monitor these faults. On-line monitoring by Raman spectroscopy in conjunction with chemometric procedures allows control of the fermentative process with advantages in relation to reference methods, which require pretreatment, manipulation of samples and are time consuming. Also, the use of multivariate control charts made possible the detection of faults in a simple way, based only on the spectra of the system.
机译:这项工作介绍了拉曼光谱和化学计量学用于酿酒酵母对葡萄糖发酵过程的在线控制的用途。在第一种方法中,使用基于偏最小二乘(PLS)的多变量校准来完成葡萄糖,乙醇,甘油和细胞的在线测定。 PLS模型对葡萄糖,乙醇和甘油的预测均方根误差(RMSEP)的值分别为0.53、0.25和0.02%,对于细胞,RMSEP的均方根误差为1.02 g L〜(-1)。在第二种方法中,开发了基于多路主成分分析(MPCA)的多变量控制图来检测发酵缺陷批次。基于平方的预测误差(Q)和Hotelling's T,开发了两个多元控制图。在在线监控中使用Q控制图可以有效地检测由温度,基板类型和污染引起的故障,但是T控制图无法监控这些故障。通过拉曼光谱结合化学计量学程序进行的在线监控,可以控制发酵过程,与参考方法相比具有优势,因为参考方法需要预处理,样品处理并且非常耗时。同样,使用多元控制图使仅基于系统的光谱以简单的方式检测故障成为可能。

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