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UV–Visible Spectrometry and Multivariate Calibration as a Rapid and Reliable Tool for Simultaneous Quantification of Ternary Mixture of Phenolic Acids in Fruit Juice Samples

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Abstract

Phenolic compounds are biologically important molecules existed in many different plants and fruits. There is a need for a reliable analytical method possessing speedy monitoring, ease of operation, and simple instrumentation. We have developed a fast and reliable spectrophotometric method for simultaneous determination of p-hydroxybenzoic (PHBA), vanillic (VA), and caffeic (CA) acids in fruit juice samples. To overcome the severe spectral overlapping, partial least squares (PLS) regression as a multivariate calibration method was successfully developed for the simultaneous determination of PHBA, VA, and CA in ternary solutions. The experimental calibration matrix was designed with 25 ternary mixtures of these compounds, and the calibration models were validated with six synthetic mixtures. Calibration graphs were linear in the range of 0.0–6.0, 0.0–12.0, and 0.0–12.0 μg mL−1; limit of detections (LODs) were found to be 0.092, 0.1 l7, and 0.107 μg mL−1 for PHBA, VA, and CA, respectively. The root-mean-square errors of prediction (RMSEPs) for the same order of target compounds were 0.084, 0.146, and 0.114. The accuracy of the method was confirmed with the recoveries ranging between 84 and 107 %. The relative standard deviations (RSDs) for the analytes in the analysis of fruit juice samples were lower than 4 %. The PLS results were found to be in good agreement with those obtained by high-performance liquid chromatography-ultraviolet detection (HPLC-UV) method. Such a chemometrics-based protocol may be a promising tool for more analytical applications in real sample monitoring, due to its advantages of simplicity, rapidity, and accuracy.

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Acknowledgments

The authors are grateful for the financial support of this work from the Research Council of University of Birjand.

Conflict of Interest

Rouhollah Khani declares that he has no conflict of interest. Reza Rahmanian declares that he has no conflict of interest. Naser Valipour Motlagh declares that he has no conflict of interest. This article does not contain any studies with human participants or animals performed by any of the authors.

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Informed consent was obtained from all individual participants included in the study.

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Authors and Affiliations

  1. Department of Chemistry, College of Sciences, University of Birjand, Birjand, 97179-414, Iran

    Rouhollah Khani & Naser Valipour Motlagh

  2. Department of Chemical Technologies, Iranian Research Organization for Science and Technology (IROST), Tehran, 33535-111, Iran

    Reza Rahmanian

Authors
  1. Rouhollah Khani
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  2. Reza Rahmanian
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  3. Naser Valipour Motlagh
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Correspondence to Rouhollah Khani.

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Khani, R., Rahmanian, R. & Motlagh, N.V. UV–Visible Spectrometry and Multivariate Calibration as a Rapid and Reliable Tool for Simultaneous Quantification of Ternary Mixture of Phenolic Acids in Fruit Juice Samples. Food Anal. Methods 9, 1112–1119 (2016). https://doi.org/10.1007/s12161-015-0287-3

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  • DOI: https://doi.org/10.1007/s12161-015-0287-3

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