Next Article in Journal
Antiviral Lipopeptide-Cell Membrane Interaction Is Influenced by PEG Linker Length
Previous Article in Journal
Structure Elucidation and Botanical Characterization of Diterpenes from a Specific Type of Bee Glue
Article Menu
Issue 7 (July) cover image

Export Article

Open AccessArticle
Molecules 2017, 22(7), 1184; doi:10.3390/molecules22071184

Prediction of Antimicrobial and Antioxidant Activities of Mexican Propolis by 1H-NMR Spectroscopy and Chemometrics Data Analysis

1
Facultad de Química, Universidad Nacional Autónoma de México, Ciudad Universitaria, 04510 Cd. Mexico, Mexico
2
Instituto de Química, Universidad Nacional Autónoma de México, Ciudad Universitaria, 04510 Cd. Mexico, Mexico
*
Author to whom correspondence should be addressed.
Received: 1 May 2017 / Revised: 8 July 2017 / Accepted: 10 July 2017 / Published: 14 July 2017
(This article belongs to the Section Natural Products)
View Full-Text   |   Download PDF [2486 KB, uploaded 17 July 2017]   |  

Abstract

A feasibility study to predict antimicrobial and antioxidant activity properties of propolis extracts using 700-MHz 1H-NMR spectra and multivariate regression data analysis is presented. The study was conducted with thirty-five propolis samples to develop a rapid and reliable method for the evaluation of their quality. The extracts have been evaluated by measuring phenolic and flavonoid contents; the antioxidant activity; and the antimicrobial activity. The obtained spectral data were submitted to multivariate calibration (partial least squares (PLS) and orthogonal partial least squares (OPLS)) to correlate the relative intensity and position of NMR resonance peaks with the metabolites contents and biological activities. The developed PLS and OPLS model were successfully applied to the determination of the target properties for proof of the concept. The OPLS observed vs. predicted properties plots indicate the absence of systematic errors with determination coefficients between the ranges 0.7207 to 0.9990. Up to 86.1% of explication of variation in the spectral data and 99.9% in the measured properties were attained with 88.6% of prediction capabilities in the best case (S. mutans activity) according to the cross-validation procedure. The figures of merit of the developed PLS and OPLS methods were evaluated and compared as well. View Full-Text
Keywords: propolis extract; proton nuclear magnetic resonance; chemometrics; antibacterial; antioxidant capacity; multivariate statistical analysis propolis extract; proton nuclear magnetic resonance; chemometrics; antibacterial; antioxidant capacity; multivariate statistical analysis
Figures

This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

Supplementary material

Scifeed alert for new publications

Never miss any articles matching your research from any publisher
  • Get alerts for new papers matching your research
  • Find out the new papers from selected authors
  • Updated daily for 49'000+ journals and 6000+ publishers
  • Define your Scifeed now

SciFeed Share & Cite This Article

MDPI and ACS Style

Rivero-Cruz, J.F.; Rodríguez de San Miguel, E.; Robles-Obregón, S.; Hernández-Espino, C.C.; Rivero-Cruz, B.E.; Pedraza-Chaverri, J.; Esturau-Escofet, N. Prediction of Antimicrobial and Antioxidant Activities of Mexican Propolis by 1H-NMR Spectroscopy and Chemometrics Data Analysis. Molecules 2017, 22, 1184.

Show more citation formats Show less citations formats

Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Related Articles

Article Metrics

Article Access Statistics

1

Comments

[Return to top]

Molecules EISSN 1420-3049 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
Back to Top