{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,26]],"date-time":"2026-03-26T04:10:11Z","timestamp":1774498211896,"version":"3.50.1"},"reference-count":55,"publisher":"MDPI AG","issue":"1","license":[{"start":{"date-parts":[[2021,12,31]],"date-time":"2021-12-31T00:00:00Z","timestamp":1640908800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100001871","name":"Funda\u00e7\u00e3o para a Ci\u00eancia e Tecnologia","doi-asserted-by":"publisher","award":["POCI-01-0145-FEDER-027819"],"award-info":[{"award-number":["POCI-01-0145-FEDER-027819"]}],"id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001871","name":"Funda\u00e7\u00e3o para a Ci\u00eancia e Tecnologia","doi-asserted-by":"publisher","award":["UIDB\/00239\/2020"],"award-info":[{"award-number":["UIDB\/00239\/2020"]}],"id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001871","name":"Funda\u00e7\u00e3o para a Ci\u00eancia e Tecnologia","doi-asserted-by":"publisher","award":["UIDB\/05183\/2020"],"award-info":[{"award-number":["UIDB\/05183\/2020"]}],"id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001871","name":"Funda\u00e7\u00e3o para a Ci\u00eancia e Tecnologia","doi-asserted-by":"publisher","award":["UIDB\/00100\/2020"],"award-info":[{"award-number":["UIDB\/00100\/2020"]}],"id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001871","name":"Funda\u00e7\u00e3o para a Ci\u00eancia e Tecnologia","doi-asserted-by":"publisher","award":["UID\/AGR\/04129\/2020"],"award-info":[{"award-number":["UID\/AGR\/04129\/2020"]}],"id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001871","name":"Funda\u00e7\u00e3o para a Ci\u00eancia e Tecnologia","doi-asserted-by":"publisher","award":["DL 57\/2016\/CP1382\/CT0025"],"award-info":[{"award-number":["DL 57\/2016\/CP1382\/CT0025"]}],"id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Sensors"],"abstract":"<jats:p>Near-infrared spectroscopic (NIR) technique was used, for the first time, to predict volatile phenols content, namely guaiacol, 4-methyl-guaiacol, eugenol, syringol, 4-methyl-syringol and 4-allyl-syringol, of aged wine spirits (AWS). This study aimed to develop calibration models for the volatile phenol\u2019s quantification in AWS, by NIR, faster and without sample preparation. Partial least square regression (PLS-R) models were developed with NIR spectra in the near-IR region (12,500\u20134000 cm\u22121) and those obtained from GC-FID quantification after liquid-liquid extraction. In the PLS-R developed method, cross-validation with 50% of the samples along a validation test set with 50% of the remaining samples. The final calibration was performed with 100% of the data. PLS-R models with a good accuracy were obtained for guaiacol (r2 = 96.34; RPD = 5.23), 4-methyl-guaiacol (r2 = 96.1; RPD = 5.07), eugenol (r2 = 96.06; RPD = 5.04), syringol (r2 = 97.32; RPD = 6.11), 4-methyl-syringol (r2 = 95.79; RPD = 4.88) and 4-allyl-syringol (r2 = 95.97; RPD = 4.98). These results reveal that NIR is a valuable technique for the quality control of wine spirits and to predict the volatile phenols content, which contributes to the sensory quality of the spirit beverages.<\/jats:p>","DOI":"10.3390\/s22010286","type":"journal-article","created":{"date-parts":[[2022,1,9]],"date-time":"2022-01-09T23:08:26Z","timestamp":1641769706000},"page":"286","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":25,"title":["PLS-R Calibration Models for Wine Spirit Volatile Phenols Prediction by Near-Infrared Spectroscopy"],"prefix":"10.3390","volume":"22","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-0267-3252","authenticated-orcid":false,"given":"Of\u00e9lia","family":"Anjos","sequence":"first","affiliation":[{"name":"Instituto Polit\u00e9cnico de Castelo Branco, Quinta da Senhora de M\u00e9rcules, 6001-909 Castelo Branco, Portugal"},{"name":"Centro de Estudos Florestais, Instituto Superior de Agronomia, Universidade de Lisboa, Tapada da Ajuda, 1349-017 Lisboa, Portugal"},{"name":"Centro de Biotecnologia de Plantas da Beira Interior, 6001-909 Castelo Branco, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2151-2008","authenticated-orcid":false,"given":"Ilda","family":"Caldeira","sequence":"additional","affiliation":[{"name":"Instituto Nacional de Investiga\u00e7\u00e3o Agr\u00e1ria e Veterin\u00e1ria, Quinta de Almo\u00ednha, P\u00f3lo de Dois Portos, 2565-191 Dois Portos, Portugal"},{"name":"MED\u2014Mediterranean Institute for Agriculture, Environment and Development, Instituto de forma\u00e7\u00e3o avan\u00e7ada, Universidade de \u00c9vora, P\u00f3lo da Mitra, Ap. 94, 7006-554 \u00c9vora, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3374-612X","authenticated-orcid":false,"given":"Tiago A.","family":"Fernandes","sequence":"additional","affiliation":[{"name":"CQE\u2014Centro de Qu\u00edmica Estrutural, Associa\u00e7\u00e3o do Instituto Superior T\u00e9cnico para a Investiga\u00e7\u00e3o e Desenvolvimento (IST-ID), Universidade de Lisboa, 1049-001 Lisboa, Portugal"},{"name":"DCeT\u2014Departamento de Ci\u00eancias e Tecnologia, Universidade Aberta, Rua da Escola Polit\u00e9cnica, 141-147, 1269-001 Lisboa, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7934-7183","authenticated-orcid":false,"given":"Soraia In\u00eas","family":"Pedro","sequence":"additional","affiliation":[{"name":"Centro de Estudos Florestais, Instituto Superior de Agronomia, Universidade de Lisboa, Tapada da Ajuda, 1349-017 Lisboa, Portugal"},{"name":"Centro de Biotecnologia de Plantas da Beira Interior, 6001-909 Castelo Branco, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3949-9999","authenticated-orcid":false,"given":"Cl\u00e1udia","family":"Vit\u00f3ria","sequence":"additional","affiliation":[{"name":"Faculdade de Ci\u00eancias, Universidade da Beira Interior, 6201-556 Covilh\u00e3, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9963-4673","authenticated-orcid":false,"given":"Sheila","family":"Oliveira-Alves","sequence":"additional","affiliation":[{"name":"Instituto Nacional de Investiga\u00e7\u00e3o Agr\u00e1ria e Veterin\u00e1ria, Quinta de Almo\u00ednha, P\u00f3lo de Dois Portos, 2565-191 Dois Portos, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6223-4377","authenticated-orcid":false,"given":"Sofia","family":"Catarino","sequence":"additional","affiliation":[{"name":"LEAF\u2014Linking Landscape, Environment, Agriculture and Food Research Center, Instituto Superior de Agronomia, Universidade de Lisboa, Tapada da Ajuda, 1349-017 Lisboa, Portugal"},{"name":"CEFEMA\u2014Center of Physics and Engineering of Advanced Materials, Instituto Superior T\u00e9cnico, Universidade de Lisboa, Av. 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