Citrate and calcium determination in flavored vodkas using artificial neural networks

Shawn C. McCleskey, Pierre N. Floriano, Sheryl L. Wiskur, Eric V. Anslyn, John T. McDevitt

Research output: Contribution to journalArticle

Abstract

The development of multianalyte sensing schemes by combining indicator-displacement assays with artificial neural network analysis (ANN) for the evaluation of calcium and citrate concentrations in flavored vodkas is presented. This work follows a previous report where an array-less approach was used for the analysis of unknown solutions containing the structurally similar analytes, tartrate and malate. Herein, a two component sensor suite consisting of a synthetic host and the commercially available complexometric dye, xylenol orange, was created. Differential UV-Visible spectral responses result for solutions containing various concentrations of calcium and citrate. The quantitation of the relative calcium and citrate concentrations in unknown mixtures of flavored vodka samples was determined through ANN analysis. The calcium and citrate concentrations in the flavored vodka samples provided by the sensor suite and the ANN methodology described here are compared to values reported by NMR of the same flavored vodkas. We expect that this multianalyte sensing scheme may have potential applications for the analysis of other complex fluids.

Original languageEnglish (US)
Pages (from-to)10089-10092
Number of pages4
JournalTetrahedron
Volume59
Issue number50
DOIs
StatePublished - Dec 8 2003

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Keywords

  • Artificial neural networks
  • Calcium
  • Citrate
  • Indicator-displacement assay
  • UV-Visible spectroscopy

ASJC Scopus subject areas

  • Biochemistry
  • Drug Discovery
  • Organic Chemistry

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