Rapid quality evaluation of Shenzhiling oral liquid by attenuated total reflectance-infrared spectroscopy with chemometrics.
Spectrochim Acta A Mol Biomol Spectrosc
; 223: 117324, 2019 Dec 05.
Article
in En
| MEDLINE
| ID: mdl-31279282
ABSTRACT
In this study, a useful method of Attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR) combined with chemometrics was proposed for rapid quantification of two-indicator components as well as discrimination of Shenzhiling oral liquid in shelf life and over shelf life. Fifteen batches of samples were employed to construct quantitative and discriminant models. Two ingredients (paeoniflorin and cinnamic acid) for quality control were modeled by partial least square regression (PLSR). The discrimination of samples between in shelf life and over shelf life was carried out by using discriminant analysis (DA). The samples were divided into calibration set and validation set according to batches. Different data pre-processing algorithms such as standard-normal-variate (SNV), multiplicative scatter correction (MSC), Savitzkye-Golay (SG) smoothing with derivative methods were applied to reduce the influence of systematic disturbances. Variable selection methods including correlation coefficient (CC), competitive adaptive reweighted sampling (CARS) and interval partial least squares regression (iPLS) were all performed for optimizing the PLSR models and DA model. The results demonstrated that ATR-FTIR combined with chemometrics could be a rapid, convenient and nondestructive approach to evaluate the quality of Shenziling oral liquid.
Key words
Full text:
1
Database:
MEDLINE
Traditional Medicines:
Medicinas_tradicionales_de_asia
/
Medicina_china
Main subject:
Drugs, Chinese Herbal
/
Spectroscopy, Fourier Transform Infrared
Type of study:
Prognostic_studies
Language:
En
Journal:
Spectrochim Acta A Mol Biomol Spectrosc
Year:
2019
Type:
Article
Affiliation country:
China