Browsing by Subject "Volatile organic compounds profile"

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    Discrimination of the geographical origin of peaches by the monitoring of volatile organic compounds by gas chromatography with mass spectrometry and chemometric tools
    (Elsevier, 2024-02-24) Giménez Campillo, Claudia; Arroyo Manzanares, Natalia; Pastor Belda, Marta; Campillo Seva, Natalia; Viñas López-Pelegrin, Pilar; Química Analítica
    The peach is one of the most popular and widely consumed fruits in Europe. Spain is the largest peach-producing country in the world with several growing areas recognised by consumers. This work focuses on the development, optimisation and validation of a non-targeted metabolomics strategy for the determination of peach volatile organic compounds from different origins by headspace gas chromatography coupled to mass spectrometry (HS–GC–MS). The volatil profile found in each sample is used to classify peaches according to their origin. The results obtained were processed using MS-DIAL software and 279 features were detected, of which 102 volatile compounds were tentatively identified and 30 of them could also be quantified. In addition, the areas of all the features were used to build models based on orthogonal partial least squares discriminant analysis (OPLS-DA) to differentiate peaches according to their geographical origin. A very promising model was obtained, with a validation rate of 90.32%, which means that it could be used to guarantee the Protected Designation of Origin of different peaches with a simple analysis.
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    Open Access
    Fingerprinting of volatile organic compounds and discrimination of pear samples by gas chromatography-ion mobility spectrometry
    (Elsevier, 2025-05-20) Giménez Campillo, Claudia; Pastor Belda, Marta; Campillo Seva, Natalia; Arroyo Manzanares, Natalia; Viñas López-Pelegrin, Pilar; Química Analítica
    The pear contains many volatile organic compounds that are responsible for its distinctive aroma, flavour and texture. The aim of this work was to develop, optimise and validate an analytical method for the determination of volatile compounds in pears using headspace gas chromatography coupled to ion mobility spectrometry. A total of 254 samples from four cultivars were analysed, and a partial least squares discriminant analysis model using 93 markers allowed differentiation between cultivars with 100 % accuracy and a Q2 of 0.878. Additionally, a total of 227 Ercoline pears collected at different stages of ripening were analysed. For the first time, a predictive model based on 75 markers was used to determine pear ripeness, achieving 100 % accuracy and a Q2 of 0.856. A total of 22 compounds were identified and quantified in the samples and key compounds were determined for each cultivar and ripening stage.