title: NIR spectroscopy as a process analytical technology (PAT) tool for monitoring and understanding of a hydrolysis process.
abstract: The use of near infrared spectroscopy was investigated as a process analytical technology to monitor the amino acids concentration profile during hydrolysis process of Cornu Bubali. A protocol was followed, including outlier selection using relationship plot of residuals versus the leverage level, calibration models using interval partial least squares and synergy interval partial least squares (SiPLS). A strategy of four robust root mean square error of predictions (RMSEP) values have been developed to assess calibration models by means of the desirability index. Furthermore, multivariate quantification limits (MQL) values of the optimum model were determined using two types of error. The SiPLS(3) models for L-proline, L-tyrosine, L-valine, L-phenylalanine and L-lysine provided excellent accuracies with RMSEP values of 0.0915 mg/mL, 0.1605 mg/mL, 0.0515 mg/mL, 0.0586 mg/mL and 0.0613 mg/mL, respectively. The MQL ranged from 90 ppm to 810 ppm, which confirmed that these models can be suitable for most applications.
authors.affiliation: Beijing University of Chinese Medicine, Beijing 100102, China.
authors.forename: Zhisheng
authors.initials: Z
authors.lastname: Wu
authors.forename: Yanfang
authors.initials: Y
authors.lastname: Peng
authors.forename: Wei
authors.initials: W
authors.lastname: Chen
authors.forename: Bing
authors.initials: B
authors.lastname: Xu
authors.forename: Qun
authors.initials: Q
authors.lastname: Ma
authors.forename: Xinyuan
authors.initials: X
authors.lastname: Shi
authors.forename: Yanjiang
authors.initials: Y
authors.lastname: Qiao
mesh_terms: D000596:Amino Acids / Q000737:chemistry; D002851:Chromatography, High Pressure Liquid; D006868:Hydrolysis; D008962:Models, Theoretical; D010946:Plants, Medicinal / Q000737:chemistry*; D019265:Spectroscopy, Near-Infrared / Q000379:methods*
chemical_list: D000596:Amino Acids