Chemometrics and Intelligent Laboratory Systems | 2019

The determination of plasma voriconazole concentration by surface-enhanced Raman spectroscopy combining chemometrics

 
 
 
 
 

Abstract


Abstract In this study, a simple detection method was constructed using gold nanoparticles as a substrate in surface-enhanced Raman scattering that combined chemometrics to measure plasma voriconazole concentration. In this application, an adaptive, iteratively reweighted, penalized least squares (air-PLS) method was utilized to deduct matrix background and correct baseline spectral drift. A moving window partial least squares (MWPLS) method was used to select the optimal wavelength combination to construct a concentration prediction model. Evaluation of the results demonstrated that the final model had an excellent capability for prediction of plasma voriconazole concentration, applicable over the concentration range 3\u202f×\u202f10−3–200\u202fμg/mL with a correlation coefficient of above 0.99. In conclusion, using surface enhanced Raman spectroscopy with chemometrics, we propose a novel and efficient approach that plasma voriconazole concentration can be measured in tens of seconds with a simple pretreatment.

Volume 193
Pages 103833
DOI 10.1016/j.chemolab.2019.103833
Language English
Journal Chemometrics and Intelligent Laboratory Systems

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