Characterization and Classification of Spanish Honey by Non-Targeted LC–HRMS (Orbitrap) Fingerprinting and Multivariate Chemometric Methods
A non-targeted LC–HRMS fingerprinting methodology based on a C18 reversed-phase mode under universal gradient elution using an Orbitrap mass analyzer was developed to characterize and classify Spanish honey samples. A simple sample treatment consisting of honey dissolution with water and a 1:1 dilut...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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MDPI AG
2022-11-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/27/23/8357 |
| _version_ | 1797462656011993088 |
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| author | Víctor García-Seval Javier Saurina Sònia Sentellas Oscar Núñez |
| author_facet | Víctor García-Seval Javier Saurina Sònia Sentellas Oscar Núñez |
| author_sort | Víctor García-Seval |
| collection | DOAJ |
| description | A non-targeted LC–HRMS fingerprinting methodology based on a C18 reversed-phase mode under universal gradient elution using an Orbitrap mass analyzer was developed to characterize and classify Spanish honey samples. A simple sample treatment consisting of honey dissolution with water and a 1:1 dilution with methanol was proposed. A total of 136 honey samples belonging to different blossom and honeydew honeys from different botanical varieties produced in different Spanish geographical regions were analyzed. The obtained LC–HRMS fingerprints were employed as sample chemical descriptors for honey pattern recognition by principal component analysis (PCA) and partial least squares–discriminant analysis (PLS–DA). The results demonstrated a superior honey classification and discrimination capability with respect to previous non-targeted HPLC–UV fingerprinting approaches, with them being able to discriminate and authenticate the honey samples according to their botanical origins. Overall, noteworthy cross-validation multiclass predictions were accomplished with sensitivity and specificity values higher than 96.2%, except for orange/lemon blossom (BL) and rosemary (RO) blossom-honeys. The proposed methodology was also able to classify and authenticate the climatic geographical production region of the analyzed honey samples, with cross-validation sensitivity and specificity values higher than 87.1% and classification errors below 10.5%. |
| first_indexed | 2024-03-09T17:39:42Z |
| format | Article |
| id | doaj.art-7a1b78daafd64222acf47b866e045baf |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-09T17:39:42Z |
| publishDate | 2022-11-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-7a1b78daafd64222acf47b866e045baf2023-11-24T11:40:52ZengMDPI AGMolecules1420-30492022-11-012723835710.3390/molecules27238357Characterization and Classification of Spanish Honey by Non-Targeted LC–HRMS (Orbitrap) Fingerprinting and Multivariate Chemometric MethodsVíctor García-Seval0Javier Saurina1Sònia Sentellas2Oscar Núñez3Department of Chemical Engineering and Analytical Chemistry, University of Barcelona, Martí i Franquès 1-11, E08028 Barcelona, SpainDepartment of Chemical Engineering and Analytical Chemistry, University of Barcelona, Martí i Franquès 1-11, E08028 Barcelona, SpainDepartment of Chemical Engineering and Analytical Chemistry, University of Barcelona, Martí i Franquès 1-11, E08028 Barcelona, SpainDepartment of Chemical Engineering and Analytical Chemistry, University of Barcelona, Martí i Franquès 1-11, E08028 Barcelona, SpainA non-targeted LC–HRMS fingerprinting methodology based on a C18 reversed-phase mode under universal gradient elution using an Orbitrap mass analyzer was developed to characterize and classify Spanish honey samples. A simple sample treatment consisting of honey dissolution with water and a 1:1 dilution with methanol was proposed. A total of 136 honey samples belonging to different blossom and honeydew honeys from different botanical varieties produced in different Spanish geographical regions were analyzed. The obtained LC–HRMS fingerprints were employed as sample chemical descriptors for honey pattern recognition by principal component analysis (PCA) and partial least squares–discriminant analysis (PLS–DA). The results demonstrated a superior honey classification and discrimination capability with respect to previous non-targeted HPLC–UV fingerprinting approaches, with them being able to discriminate and authenticate the honey samples according to their botanical origins. Overall, noteworthy cross-validation multiclass predictions were accomplished with sensitivity and specificity values higher than 96.2%, except for orange/lemon blossom (BL) and rosemary (RO) blossom-honeys. The proposed methodology was also able to classify and authenticate the climatic geographical production region of the analyzed honey samples, with cross-validation sensitivity and specificity values higher than 87.1% and classification errors below 10.5%.https://www.mdpi.com/1420-3049/27/23/8357blossom honeyshoneydew honeysLC–HRMSfingerprintingchemometrics |
| spellingShingle | Víctor García-Seval Javier Saurina Sònia Sentellas Oscar Núñez Characterization and Classification of Spanish Honey by Non-Targeted LC–HRMS (Orbitrap) Fingerprinting and Multivariate Chemometric Methods Molecules blossom honeys honeydew honeys LC–HRMS fingerprinting chemometrics |
| title | Characterization and Classification of Spanish Honey by Non-Targeted LC–HRMS (Orbitrap) Fingerprinting and Multivariate Chemometric Methods |
| title_full | Characterization and Classification of Spanish Honey by Non-Targeted LC–HRMS (Orbitrap) Fingerprinting and Multivariate Chemometric Methods |
| title_fullStr | Characterization and Classification of Spanish Honey by Non-Targeted LC–HRMS (Orbitrap) Fingerprinting and Multivariate Chemometric Methods |
| title_full_unstemmed | Characterization and Classification of Spanish Honey by Non-Targeted LC–HRMS (Orbitrap) Fingerprinting and Multivariate Chemometric Methods |
| title_short | Characterization and Classification of Spanish Honey by Non-Targeted LC–HRMS (Orbitrap) Fingerprinting and Multivariate Chemometric Methods |
| title_sort | characterization and classification of spanish honey by non targeted lc hrms orbitrap fingerprinting and multivariate chemometric methods |
| topic | blossom honeys honeydew honeys LC–HRMS fingerprinting chemometrics |
| url | https://www.mdpi.com/1420-3049/27/23/8357 |
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