Analysis of chemical compounds in beverages : guidance for establishing a compositional analysis

Templ, Matthias; Templ, Barbara

doi:10.1016/j.foodchem.2020.126755

Publication type:	Article in scientific journal
Type of review:	Peer review (publication)
Title:	Analysis of chemical compounds in beverages : guidance for establishing a compositional analysis
Authors:	Templ, Matthias Templ, Barbara
et. al:	No
DOI:	10.1016/j.foodchem.2020.126755
Published in:	Food Chemistry
Volume(Issue):	325
Issue:	126755
Issue Date:	2020
Publisher / Ed. Institution:	Elsevier
ISSN:	0308-8146
Language:	English
Subjects:	Beer; Forced aging; Chemometrics; Log-ratio analysis; Correlation; PCA; Misclassification
Subject (DDC):	500: Natural sciences 663: Beverage technology
Abstract:	In recent years, much analysis has been carried out regarding the chemical compositions of nonalcoholic and alcoholic beverages. However, no study has ever considered the compositional pitfalls inherent in such studies, which may lead to arbitrary results. Two approaches were compared in this paper, compositional data analysis (CoDa) and classical statistical analyses, to demonstrate (1) how aging affects beer and (2) how the results vary depending on the applied approach. Exemplarily, chemical compounds of 43 beer samples were analyzed. Our work has led us to obtain different results when the correlation analysis and principal component analysis were conducted on the unmodified-, log-transformed-, or closed-data in contrary to the analyses of log-ratio coordinates. The outcome of the latter provided better separation between aged and fresh beer samples and also easier interpretability. These results lead us to advise the usage of CoDa methods for the analyses of chemical compositions of beverages.
URI:	https://digitalcollection.zhaw.ch/handle/11475/20002
Fulltext version:	Published version
License (according to publishing contract):	Licence according to publishing contract
Departement:	School of Engineering
Organisational Unit:	Institute of Data Analysis and Process Design (IDP)
Appears in collections:	Publikationen School of Engineering

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Templ, M., & Templ, B. (2020). Analysis of chemical compounds in beverages : guidance for establishing a compositional analysis. Food Chemistry, 325(126755). https://doi.org/10.1016/j.foodchem.2020.126755

Templ, M. and Templ, B. (2020) ‘Analysis of chemical compounds in beverages : guidance for establishing a compositional analysis’, Food Chemistry, 325(126755). Available at: https://doi.org/10.1016/j.foodchem.2020.126755.

M. Templ and B. Templ, “Analysis of chemical compounds in beverages : guidance for establishing a compositional analysis,” Food Chemistry, vol. 325, no. 126755, 2020, doi: 10.1016/j.foodchem.2020.126755.

TEMPL, Matthias und Barbara TEMPL, 2020. Analysis of chemical compounds in beverages : guidance for establishing a compositional analysis. Food Chemistry. 2020. Bd. 325, Nr. 126755. DOI 10.1016/j.foodchem.2020.126755

Templ, Matthias, and Barbara Templ. 2020. “Analysis of Chemical Compounds in Beverages : Guidance for Establishing a Compositional Analysis.” Food Chemistry 325 (126755). https://doi.org/10.1016/j.foodchem.2020.126755.

Templ, Matthias, and Barbara Templ. “Analysis of Chemical Compounds in Beverages : Guidance for Establishing a Compositional Analysis.” Food Chemistry, vol. 325, no. 126755, 2020, https://doi.org/10.1016/j.foodchem.2020.126755.