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Ivonne Domínguez-Martínez,Ofelia Gabriela Meza-Márquez,Guillermo Osorio-Revilla,José Proal-Nájera,Tzayhrí Gallardo-Velázquez 한국응용생명화학회 2014 Applied Biological Chemistry (Appl Biol Chem) Vol.57 No.1
Fourier transform mid-infrared (Mid-FTIR) spectroscopyin conjunction with multivariate analysis was used to predict thecapsaicin content, ascorbic acid, total phenolic compounds, andantioxidant activity of Capsicum annuum L. variety serrano. Twomultivariate calibrations, partial least square (PLS), and principalcomponent regression (PCR) were optimized to construct thecalibration models. The best models used to quantify the abovementioned compounds were obtained with the PLS algorithm andcoefficients of determination (R2) greater than 0.998 as well as astandard error calibration less than 0.098. The results demonstratedthat Mid-FTIR spectroscopy in combination with multivariateanalysis can be effectively used for to quantify the capsaicin,ascorbic acid, total phenol content, and antioxidant activity ofCapsicum annuum var. serrano. Mid-FTIR spectroscopy incombination with multivariate calibration offers rapid, easy samplepreparation, is environmentally friendly, and is operationallyuncomplicated, demonstrating the significant advantages of thechemometric models compared with conventional methods ofanalysis.
Dominguez-Martinez, Ivonne,Meza-Marquez, Ofelia Gabriela,Osorio-Revilla, Guillermo,Proal-Najera, Jose,Gallardo-Velazquez, Tzayhri The Korean Society for Applied Biological Chemistr 2014 Applied Biological Chemistry (Appl Biol Chem) Vol.57 No.1
Fourier transform mid-infrared (Mid-FTIR) spectroscopy in conjunction with multivariate analysis was used to predict the capsaicin content, ascorbic acid, total phenolic compounds, and antioxidant activity of Capsicum annuum L. variety serrano. Two multivariate calibrations, partial least square (PLS), and principal component regression (PCR) were optimized to construct the calibration models. The best models used to quantify the above mentioned compounds were obtained with the PLS algorithm and coefficients of determination ($R^2$) greater than 0.998 as well as a standard error calibration less than 0.098. The results demonstrated that Mid-FTIR spectroscopy in combination with multivariate analysis can be effectively used for to quantify the capsaicin, ascorbic acid, total phenol content, and antioxidant activity of Capsicum annuum var. serrano. Mid-FTIR spectroscopy in combination with multivariate calibration offers rapid, easy sample preparation, is environmentally friendly, and is operationally uncomplicated, demonstrating the significant advantages of the chemometric models compared with conventional methods of analysis.
Karina Uribe Hernández,Tzayhrí Gallardo Velázquez,Guillermo Osorio Revilla,Norma Almaraz Abarca,Maylet Hernández Martínez 한국식품과학회 2015 Food Science and Biotechnology Vol.24 No.4
Chemometric models using mid-infrared (MID-FTIR) spectroscopy were developed for detection and quantification of oxytetracycline and sulfathiazole contamination in honey samples. Low standard error of calibration (SEC) and prediction (SEP) values were achieved using a partial least squares algorithm (SEC= 1.02 and SEP=1.39 for oxytetracycline and SEC=1.24 and SEP=1.79 for sulfathiazole). Chemometric model-predicted concentrations of antibiotics were compared with ELISA results with coefficient of determination R2=0.8577 for oxytetracycline and R2=0.8216 for sulfathiazole. Classification of antibiotic contaminated honey samples and uncontaminated samples was carried out using Soft Independent Modeling Class Analogy analysis with a 100% correct classification rate with interclass distances in the range of 6.93-13.3. MID-FTIR chemometric models developed for detection and quantification of oxitetracycline and sulfathiazole in honey samples have been demonstrated.