Optimization of gradient separation conditions using liquid chromatography with tandem mass spectrometric detection for analysis of phenolic profile during coffee roasting

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F25%3A39923175" target="_blank" >RIV/00216275:25310/25:39923175 - isvavai.cz</a>

Result on the web

<a href="https://doi.org/10.1016/j.chroma.2025.466059" target="_blank" >https://doi.org/10.1016/j.chroma.2025.466059</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.chroma.2025.466059" target="_blank" >10.1016/j.chroma.2025.466059</a>

Result language

angličtina

Original language name

Optimization of gradient separation conditions using liquid chromatography with tandem mass spectrometric detection for analysis of phenolic profile during coffee roasting

Original language description

In this work, a reversed-phase high-performance liquid chromatographic method was developed for the characterization of dynamic changes in phenolic compounds during roasting of coffee beans. To optimize the gradient profile and tandem mass spectrometric detection conditions in multiple reaction monitoring mode, a new approach was developed, combining three statistical criteria, i.e., interquartile range of gradient retention times, probability of mass spectrometric time-window overlapping at 95 % statistical significance level, and the gradient time range. The summary criterion &quot;&quot;gradient score&quot;&quot; was evaluated at different weights of all statistical criteria and optimal conditions were proposed using a heatmap diagram approach. The results of the quantitative analysis of phenolic compounds using the developed gradient method, combined with the isocratic determination of chlorogenic acids and gas chromatographic analysis of volatile phenolic compounds, were used for comprehensive evaluation of the phenolic profile in coffee during the roasting process. Thus, the quantitative analysis revealed a progressive decline in the concentration of chlorogenic acids and hydroxycinnamic acids as roasting progresses, attributed to thermal degradation and chemical transformations. In contrast, the levels of hydroxybenzoic acids, phenolic aldehydes, alkylphenols, and volatile phenols consistently increase. These findings highlight the complex interplay of degradation and synthesis reactions during coffee roasting, contributing to the formation of new phenolic compounds with potential impacts on the coffee brew&apos;s flavor, aroma, and antioxidant properties.

Czech name

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Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

—

OECD FORD branch

10406 - Analytical chemistry

Project

<a href="/en/project/GA22-09556S" target="_blank" >GA22-09556S: Self-adaptive multidimensional liquid phase separations</a><br>

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year

2025

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Journal of Chromatography A

ISSN

0021-9673

e-ISSN

1873-3778

Volume of the periodical

1756

Issue of the periodical within the volume

August 2025

Country of publishing house

NL - THE KINGDOM OF THE NETHERLANDS

Number of pages

9

Pages from-to

466059

UT code for WoS article

001498795800003

EID of the result in the Scopus database

2-s2.0-105005588448