NIR and 1H qNMR methods coupled to chemometrics discriminate the chemotypes of the gastroprotective herb Egletes viscosa

Kaline R Carvalho; Ana Sheila Q Souza; Elenilson G Alves Filho; Lorena Mara A Silva; Ebenézer O Silva; Rita de Cássia A Pereira; Guilherme J Zocolo; Edy S de Brito; Edilberto R Silveira; Kirley M Canuto

doi:10.1016/j.foodres.2020.109759

NIR and ¹H qNMR methods coupled to chemometrics discriminate the chemotypes of the gastroprotective herb Egletes viscosa

Food Res Int. 2020 Dec;138(Pt A):109759. doi: 10.1016/j.foodres.2020.109759. Epub 2020 Oct 2.

Affiliations

¹ Embrapa Agroindústria Tropical, Fortaleza, CE, Brazil; Departamento de Química Orgânica e Inorgânica, Universidade Federal do Ceará, Campus do Pici, Bloco 935, 60021-940 Fortaleza, CE, Brazil.
² Embrapa Agroindústria Tropical, Fortaleza, CE, Brazil.
³ Departamento de Engenharia de Alimentos, Universidade Federal do Ceará, Campus do Pici, Bloco 858, 60440-900 Fortaleza, CE, Brazil.
⁴ Departamento de Química Orgânica e Inorgânica, Universidade Federal do Ceará, Campus do Pici, Bloco 935, 60021-940 Fortaleza, CE, Brazil.
⁵ Embrapa Agroindústria Tropical, Fortaleza, CE, Brazil. Electronic address: kirley.canuto@embrapa.br.

PMID: 33292941
DOI: 10.1016/j.foodres.2020.109759

Abstract

Egletes viscosa is a Brazilian medicinal herb consumed as flower bud tea due to its gastroprotective properties. This plant possesses two essential oil-based chemical varieties: trans-pinocarveyl acetate-rich chemotype A and cis-isopinocarveyl acetate- rich chemotype B. Therefore, we developed two simple, fast and reliable methods for discrimination of E. viscosa chemotypes using NIR and ¹H qNMR spectroscopies combined with the chemometrics tools (iPLS and PLS-DA). Both methods showed high sensitivity, precision and specificity in the cross-validation tests. The NIR method has the advantages of being non-destructive and analyzable by portable devices, enabling its application for field and industrial evaluations. Meanwhile, the ¹H qNMR method allows the quantification of the bioactive components ternatin, tanabalin, and centipedic acid. These aforementioned compounds were found higher in the chemotype A. Accordingly, our methods showed to be complimentary approaches for authenticity and/or quality control of E. viscosa-derived raw materials and herbal products.

Keywords: Asteraceae; Authentication; Essential oil; GC–MS; PLS-DA; Quality control; Tea; Ternatin.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Asteraceae*
Brazil
Oils, Volatile*
Plant Extracts
Plants, Medicinal*

Substances

Oils, Volatile
Plant Extracts