Liquid chromatography with diode array detection combined with spectral deconvolution for the analysis of some diterpene esters in Arabica coffee brew

• Published in: Journal of separation science Vol. 38; no. 4; pp. 612 - 620
• Main Authors: Erny, Guillaume L., Moeenfard, Marzieh, Alves, Arminda
• Format: Journal Article
• Language: English
• Published: Germany Blackwell Publishing Ltd 01.02.2015; Wiley Subscription Services, Inc
• Subjects: Arrays; Cafestol esters; Chromatography; Coffee; Deconvolution; Diode array detection; Diodes; Esters; Kahweol esters; Liquid chromatography; Mass spectrometry; Reproducibility; Spectra; Spectral deconvolution; Wavelengths; Kahweol esters; Spectral deconvolution; Diode array detection; Cafestol esters
• ISSN: 1615-9306; 1615-9314
• DOI: 10.1002/jssc.201401095

In this manuscript, the separation of kahweol and cafestol esters from Arabica coffee brews was investigated using liquid chromatography with a diode array detector. When detected in conjunction, cafestol, and kahweol esters were eluted together, but, after optimization, the kahweol esters could be selectively detected by setting the wavelength at 290 nm to allow their quantification. Such an approach was not possible for the cafestol esters, and spectral deconvolution was used to obtain deconvoluted chromatograms. In each of those chromatograms, the four esters were baseline separated allowing for the quantification of the eight targeted compounds. Because kahweol esters could be quantified either using the chromatogram obtained by setting the wavelength at 290 nm or using the deconvoluted chromatogram, those compounds were used to compare the analytical performances. Slightly better limits of detection were obtained using the deconvoluted chromatogram. Identical concentrations were found in a real sample with both approaches. The peak areas in the deconvoluted chromatograms were repeatable (intraday repeatability of 0.8%, interday repeatability of 1.0%). This work demonstrates the accuracy of spectral deconvolution when using liquid chromatography to mathematically separate coeluting compounds using the full spectra recorded by a diode array detector.