Publication:
A volatilomic approach using ion mobility and mass spectrometry combined with multivariate chemometrics for the assessment of lemon juice quality

Simple item page
dc.contributor.authorGiménez Campillo, Claudia
dc.contributor.authorArroyo Manzanares, Natalia
dc.contributor.authorCampillo Seva, Natalia
dc.contributor.authorDíaz García, Miriam Cristina
dc.contributor.authorViñas López-Pelegrin, Pilar
dc.contributor.departmentQuímica Analítica
dc.date.accessioned2025-10-16T06:06:18Z
dc.date.available2025-10-16T06:06:18Z
dc.date.copyright© 2024 The Authors
dc.date.issued2024-11-09
dc.description.abstractLemon (Citrus limon (L.) Burm.) is a citrus fruit known for its high nutritional value and potent antioxidant activity. Lemon juice, obtained by squeezing the fruit, is widely used in the kitchen for its acidic taste to flavour dishes and drinks. It has also been attributed with various medicinal properties to treat conditions such as sore throat, fever, rheumatism and hypertension. Ensuring the quality and safety of lemon juice, as well as its geographical origin, is not easy due to the scarcity of analytical methods available for this purpose, which makes it difficult to detect adulterations. To meet this challenge of testing the authenticity and safety of lemon juice, multiple physicochemical parameters need to be evaluated, which is expensive and time-consuming, so it is of great interest to develop an alternative simple method. In this research, two alternative analytical methods were developed and optimized for the analysis of lemon juice samples based on headspace gas chromatography coupled to both mass spectrometry (HS-GC-MS) or ion mobility spectrometry (HS-GC-IMS). These new methods were compared with the method currently used in the food industry for quality control of juices, which is Fourier transform near infrared spectroscopy (FT-NIR). A total of 159 samples belonging to different lemon varieties were analysed by measuring the physicochemical parameters, FT-NIR spectra and fingerprinting of the juice samples based on the total volatile compounds profile by GC-MS and GC-IMS. Partial least squares (PLS) regression models were then constructed and all models were validated by paired tests with the values measured by the reference chemical methods. The models developed confirm that both HS-GC-MS and HS-GC-IMS methods are viable alternatives for predicting physicochemical parameters and ensuring lemon juice quality. Finally, the data were used to build chemometric models using orthogonal partial least squares discriminant analysis (OPLSDA) to distinguish lemon juices according to the lemon variety used in their manufacture. Very promising models were obtained with the HS-GC-MS and HS-GC-IMS data, suggesting the potential use of the volatile profile for lemon variety confirmation. Consequently, fingerprinting represents an alternative proposal to the conventional method applied in the food industry based on the use of chemical reference parameters or the use of the NIR technique.
dc.formatapplication/pdf
dc.identifier.citationGiménez-Campillo, C., Arroyo-Manzanares, N., Campillo, N., Díaz-García, M. C., & Viñas, P. (2025). A volatilomic approach using ion mobility and mass spectrometry combined with multivariate chemometrics for the assessment of lemon juice quality. Food Control, 169, 111027.
dc.identifier.doihttps://doi.org/10.1016/j.foodcont.2024.111027
dc.identifier.issn0956-7135
dc.identifier.urihttp://hdl.handle.net/10201/166670
dc.languageeng
dc.publisherElsevier
dc.relationSpanish MCIN (Project PID2021-123201NB-I00 financed by MCIN/AEI/10.13039/ 501100011033/FEDER, UE)
dc.relation.publisherversionhttps://www.sciencedirect.com/science/article/pii/S0956713524007448
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 International*
dc.rights.accessRightsinfo:eu-repo/semantics/openAccess
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/*
dc.subjectLemon juice
dc.subjectNear infrared
dc.subjectGas chromatography
dc.subjectMass spectrometry
dc.subjectIon mobility spectrometry
dc.subjectVolatile profile
dc.subject.odsObjetivo 2: Hambre y seguridad alimentaria
dc.titleA volatilomic approach using ion mobility and mass spectrometry combined with multivariate chemometrics for the assessment of lemon juice quality
dc.typeinfo:eu-repo/semantics/article
dspace.entity.typePublicationes
relation.isAuthorOfPublication7f90d175-499a-4f4e-9848-7be5f431f7b3
relation.isAuthorOfPublicationb248fbac-12a2-425f-a31e-bf96a78661c6
relation.isAuthorOfPublication5265e3bc-1bd2-4594-bd49-7eec3161904d
relation.isAuthorOfPublication04c2972d-50f3-46da-bbde-2bd8a2f2f089
relation.isAuthorOfPublication.latestForDiscovery7f90d175-499a-4f4e-9848-7be5f431f7b3
Files
Original bundle
Now showing 1 - 1 of 1
Thumbnail Image
Name:
1-s2.0-S0956713524007448-main.pdf
Size:
4 MB
Format:
Adobe Portable Document Format
Description:
Download
License bundle
Now showing 1 - 1 of 1
Thumbnail Image
Name:
license.txt
Size:
1.37 KB
Format:
Item-specific license agreed upon to submission
Description:
Download
Collections
Artículos