Application of independent component analysis, principal component regression and partial least squares methodologies for the simultaneous potentiometric titration of some amino acids

RSC Advances ◽  
2016 ◽  
Vol 6 (74) ◽  
pp. 69902-69908 ◽  
Author(s):  
A. Hakan Aktaş ◽  
Sermin Göksu Karagöz
Keyword(s):  
Amino Acids ◽  
Independent Component Analysis ◽  
Least Squares ◽  
Simultaneous Determination ◽  
Partial Least Squares ◽  
Potentiometric Titration ◽  
Principal Component Regression ◽  
Principal Component ◽  
Chemometric Methods

Potentiometric titration and chemometric methods were applied to the simultaneous determination of the four amino acids, alanine (ALA), phenylalanine (PHE), leucine (LEU) and lysine (LYS).

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.

scholarly journals Universal procedures for spectrophotometric determination of anticoccidial drugs; application to multi-ingredient veterinary formulation and computational investigations for multivariate analysis

2021 ◽  
Vol 12 (4) ◽  
pp. 368-376
Author(s):  
Mahmoud Mohamed Abbas ◽  
Amira Mabrouk El-Kosasy ◽  
Lobna Abd El-Aziz Hussein ◽  
Nancy Magdy Hanna
Keyword(s):  
Multivariate Analysis ◽  
Least Squares ◽  
Simultaneous Determination ◽  
Partial Least Squares ◽  
Principal Component Regression ◽  
Principal Component ◽  
Dual Wavelength ◽  
Ich Guidelines ◽  
The Difference

Simple, accurate, and eco-friendly spectrophotometric procedures were proposed and implemented for simultaneous determination of anticoccidial drugs from three different classes namely, amprolium hydrochloride (AMP), sulfaquinoxaline sodium (SQX) and diaveridine hydrochloride (DVD). Dual wavelength in ratio spectra procedure was proposed where the difference in amplitudes (ΔP) in the ratio spectra at 264 nm and 301.9 nm (ΔP264&301.9 nm) corresponded to AMP with mean percentage recovery 100.00±0.923%, while (ΔP250.9&279 nm) and (ΔP218&243.5 nm) corresponded to SQX and DVD with mean percentage recoveries 99.31±1.083 and 100.64±1.219%, respectively. The dual wavelength in ratio spectra procedure was validated according to the ICH guidelines and accuracy, precision and repeatability were found to be within the acceptable limit. Multivariate chemometric approaches, namely, partial least-squares (PLS-2) and principal component regression (PCR) were also proposed with mean percentage recoveries 99.31±0.769, 98.91±1.192 and 99.04±1.245% for AMP, SQX and DVD, respectively, in PLS-2 and 99.63±1.005, 99.11±1.272 and 98.93±1.338% for AMP, SQX and DVD, respectively, in PCR. These procedures were successfully applied to the multi-ingredient veterinary formulation with mean percentage recoveries 100.75±1.238, 99.29±0.875 and 99.34±0.745% for AMP, SQX and DVD, respectively, in dual wavelength in ratio spectra procedure and 101.03±1.261, 101.48±0.984 and 101.10±1.339% for AMP, SQX and DVD, respectively, in PLS-2 and 100.22±1.204, 101.10±0.546 and 100.91±0.677% for AMP, SQX and DVD, respectively, in PCR.

scholarly journals Full spectrum and genetic algorithm-selected spectrum-based chemometric methods for simultaneous determination of azilsartan medoxomil, chlorthalidone, and azilsartan: Development, validation, and application on commercial dosage form

2021 ◽  
Vol 19 (1) ◽  
pp. 205-213
Author(s):  
Hany W. Darwish ◽  
Abdulrahman A. Al Majed ◽  
Ibrahim A. Al-Suwaidan ◽  
Ibrahim A. Darwish ◽  
Ahmed H. Bakheit ◽  
...  
Keyword(s):  
Genetic Algorithm ◽  
Simultaneous Determination ◽  
Predictive Power ◽  
Principal Component Regression ◽  
Selection Procedure ◽  
Principal Component ◽  
Chemometric Methods ◽  
Full Spectrum ◽  
Azilsartan Medoxomil

Abstract Five various chemometric methods were established for the simultaneous determination of azilsartan medoxomil (AZM) and chlorthalidone in the presence of azilsartan which is the core impurity of AZM. The full spectrum-based chemometric techniques, namely partial least squares (PLS), principal component regression, and artificial neural networks (ANN), were among the applied methods. Besides, the ANN and PLS were the other two methods that were extended by genetic algorithm procedure (GA-PLS and GA-ANN) as a wavelength selection procedure. The models were developed by applying a multilevel multifactor experimental design. The predictive power of the suggested models was evaluated through a validation set containing nine mixtures with different ratios of the three analytes. For the analysis of Edarbyclor® tablets, all the proposed procedures were applied and the best results were achieved in the case of ANN, GA-ANN, and GA-PLS methods. The findings of the three methods were revealed as the quantitative tool for the analysis of the three components without any intrusion from the co-formulated excipient and without prior separation procedures. Moreover, the GA impact on strengthening the predictive power of ANN- and PLS-based models was also highlighted.

Development and Validation of Chemometric-Assisted Spectrophotometric Methods for Simultaneous Determination of Phenylephrine Hydrochloride and Ketorolac Tromethamine in Binary Combinations

2016 ◽  
Vol 99 (5) ◽  
pp. 1247-1251 ◽  
Author(s):  
Hamed M Elfatatry ◽  
Mokhtar M Mabrouk ◽  
Sherin F Hammad ◽  
Fotouh R Mansour ◽  
Amira H Kamal ◽  
...  
Keyword(s):  
Least Squares ◽  
Simultaneous Determination ◽  
Principal Component Regression ◽  
Principal Component ◽  
Data Matrix ◽  
Ketorolac Tromethamine ◽  
Concentration Data ◽  
Phenylephrine Hydrochloride ◽  
Spectrophotometric Methods

Abstract The present work describes new spectrophotometric methods for the simultaneous determination of phenylephrine hydrochloride and ketorolac tromethamine in their synthetic mixtures. The applied chemometric techniques are multivariate methods including classical least squares, principal component regression, and partial least squares. In these techniques, the concentration data matrix was prepared by using the synthetic mixtures containing these drugs dissolved in distilled water. The absorbance data matrix corresponding to the concentration data was obtained by measuring the absorbances at 16 wavelengths in the range 244–274 nm at 2 nm intervals in the zero-order spectra. The spectrophotometric procedures do not require any separation steps. The accuracy, precision, and linearity ranges of the methods have been determined, and analyzing synthetic mixtures containing the studied drugs has validated them. The developed methods were successfully applied to the synthetic mixtures and the results were compared to those obtained by a reported HPLC method.

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