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Nuclear Magnetic Resonance Metabolomics with Double Pulsed-Field-Gradient Echo and Automatized Solvent Suppression Spectroscopy for Multivariate Data Matrix Applied in Novel Wine and Juice Discriminant Analysis.
Herbert-Pucheta, José Enrique; Lozada-Ramírez, José Daniel; Ortega-Regules, Ana E; Hernández, Luis Ricardo; Anaya de Parrodi, Cecilia.
Afiliación
  • Herbert-Pucheta JE; Consejo Nacional de Ciencia y Tecnología-Laboratorio Nacional de Investigación y Servicio Agroalimentario y Forestal, Universidad Autónoma Chapingo, Carretera México-Texcoco km 38.5, Chapingo, Estado de México 56230, Mexico.
  • Lozada-Ramírez JD; Departamento de Química Orgánica, Escuela Nacional de Ciencias Biológicas, Instituto Politécnico Nacional, Prolongación de Carpio y Plan de Ayala s/n, Colonia Santo Tomás, Ciudad de México 11340, Mexico.
  • Ortega-Regules AE; Departamento de Ciencias Químico Biológicas, Universidad de las Américas Puebla, San Andrés Cholula 72810, Mexico.
  • Hernández LR; Departamento de Ciencias de la Salud, Universidad de las Américas Puebla, San Andrés Cholula 72810, Mexico.
  • Anaya de Parrodi C; Departamento de Ciencias Químico Biológicas, Universidad de las Américas Puebla, San Andrés Cholula 72810, Mexico.
Molecules ; 26(14)2021 Jul 07.
Article en En | MEDLINE | ID: mdl-34299421
The quality of foods has led researchers to use various analytical methods to determine the amounts of principal food constituents; some of them are the NMR techniques with a multivariate statistical analysis (NMR-MSA). The present work introduces a set of NMR-MSA novelties. First, the use of a double pulsed-field-gradient echo (DPFGE) experiment with a refocusing band-selective uniform response pure-phase selective pulse for the selective excitation of a 5-10-ppm range of wine samples reveals novel broad 1H resonances. Second, an NMR-MSA foodomics approach to discriminate between wine samples produced from the same Cabernet Sauvignon variety fermented with different yeast strains proposed for large-scale alcohol reductions. Third a comparative study between a nonsupervised Principal Component Analysis (PCA), supervised standard partial (PLS-DA), and sparse (sPLS-DA) least squares discriminant analysis, as well as orthogonal projections to a latent structures discriminant analysis (OPLS-DA), for obtaining holistic fingerprints. The MSA discriminated between different Cabernet Sauvignon fermentation schemes and juice varieties (apple, apricot, and orange) or juice authentications (puree, nectar, concentrated, and commercial juice fruit drinks). The new pulse sequence DPFGE demonstrated an enhanced sensitivity in the aromatic zone of wine samples, allowing a better application of different unsupervised and supervised multivariate statistical analysis approaches.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Solventes / Vino / Espectroscopía de Resonancia Magnética / Metaboloma / Jugos de Frutas y Vegetales Tipo de estudio: Prognostic_studies Idioma: En Revista: Molecules Asunto de la revista: BIOLOGIA Año: 2021 Tipo del documento: Article País de afiliación: México Pais de publicación: Suiza
Texto completo
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Solventes / Vino / Espectroscopía de Resonancia Magnética / Metaboloma / Jugos de Frutas y Vegetales Tipo de estudio: Prognostic_studies Idioma: En Revista: Molecules Asunto de la revista: BIOLOGIA Año: 2021 Tipo del documento: Article País de afiliación: México Pais de publicación: Suiza