Determination of slip melting point in palm oil blends by partial least squares and principal component regression modeling of FTIR spectroscopic data

2002 ◽  
Vol 79 (11) ◽  
pp. 1081-1084 ◽  
Author(s):  
G. Setiowaty ◽  
Y. B. Che Man
Keyword(s):  
Melting Point ◽  
Least Squares ◽  
Partial Least Squares ◽  
Palm Oil ◽  
Spectroscopic Data ◽  
Principal Component Regression ◽  
Principal Component ◽  
Slip Melting Point ◽  
Oil Blends

Partial Least-Squares Quantitative Analysis of Infrared Spectroscopic Data. Part I: Algorithm Implementation

1988 ◽  
Vol 42 (2) ◽  
pp. 217-227 ◽  
Author(s):  
M. P. Fuller ◽  
G. L. Ritter ◽  
C. S. Draper
Keyword(s):  
Quantitative Analysis ◽  
Least Squares ◽  
Partial Least Squares ◽  
Spectroscopic Data ◽  
Principal Component Regression ◽  
Principal Component ◽  
Advantages And Disadvantages ◽  
K Matrix ◽  
Algorithm Implementation ◽  
Pls Method

Various approaches to infrared multicomponent quantitative analysis including K-matrix, multivariate least-squares, principal component regression (PCR), and partial least-squares (PLS) are compared. The advantages and disadvantages of each are discussed. A particular implementation of the PLS method is detailed, with emphasis on the methods provided for calibration optimization and evaluation.

Spectrophotometric Simultaneous Determination of Levamisole and Triclabendazole in Tablets by Principal Component Regression and Partial Least Squares Chemometric Methods

2008 ◽  
Vol 59 (2) ◽  
pp. 154-158 ◽  
Author(s):  
Gozde Pektas ◽  
Erdal Dinc ◽  
Dumitru Baleanu
Keyword(s):  
Least Squares ◽  
Partial Least Squares ◽  
Principal Component Regression ◽  
Principal Component ◽  
Standard Addition ◽  
Chemometric Methods ◽  
Preliminary Separation ◽  
Absorbance Data ◽  
Good Agreement

Principal component regression (PCR) and partial least squares (PLS) chemometric methods were applied to the simultaneous quantitative analysis of levamisole (LVM) and triclabendazole (TCB) in tablets without using a preliminary separation, even in presence of the overlapping spectra of the above compounds. For both PCR and PLS, a concentration set containing 25 different mixtures of LVM and TCB in the linear concentration range was symmetrically prepared and then the absorbance values of the concentration set were measured at the wavelength set with Dl=0.1 nm in the spectral region of 225-322.3 nm. PCR and PLS calibrations were obtained by applying the PCR and PLS algorithms to the concentration set data (y-block) and their corresponding absorbance data (x-block). The validity of PCR and PLS chemometric methods was performed by using the independent synthetic mixtures and the standard addition technique. Then, these analytical methods were applied to the commercial tablets and a good agreement was obtained between experimental results provided by the application of the PCR and PLS to the synthetic and real samples.

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