Orthogonal partial least squares model for rapid prediction of antioxidant activity of Pereskia bleo by fourier transform infrared spectroscopy

• Main Authors: Sharif, K. M., Rahman, Md. Mokhlesur, Azmir, Jannatul, Khatib, Alfi, Shamsudin, Siti Hadijah, Mohamed, A., Ferdosh, Sahena, Sarker, Md. Zaidul Islam
• Format: Article
• Language: English; English
• Published: Taylor & Francis Inc. 2014
• Subjects: QD Chemistry
• Online Access: http://irep.iium.edu.my/37116/1/Analytical_letter_Sharif-2014.pdf; http://irep.iium.edu.my/37116/4/37116_Orthogonal%20Partial%20Least%20Squares%20Model.SCOPUS.pdf; http://irep.iium.edu.my/37116/; http://www.tandfonline.com/doi/abs/10.1080/00032719.2014.898150?journalCode=lanl20#.U7tHCz-Syyo

Pereskia bleo is a species of primitive cactus. In the present study, infrared spectroscopy was used to characterize the antioxidant activity of P. bleo leaves by multivariate analysis. A total of twenty-four extracts were prepared in different solvents. Antioxidant activities were measured by 1,1-diphenyl-2-picrylhydrazyl assay and fingerprinted by infrared spectroscopy between 4000 and 400 cm−1 at a resolution of 2 cm−1. A three component multivariate orthogonal partial least squares model with R2Y of 0.88 and Q2 of 0.86 was developed to correlate infrared spectra with antioxidant activity and evaluated by internal cross-validation and a true external test. For external validation, bioactivity of new extracts of P. bleo was predicted using the model, and -OH, -NH, and -CH were identified as functional groups responsible for the activity. In summary, a successful orthogonal partial least squares model was developed using infrared spectroscopy as a rapid method to predict antioxidant activity.