Vitis vinifera Red Globe grape: In natura investigations on skin pigmentation using phase-resolved photoacoustic and TDDFT methods

Carlos E Rufino da Silva; Matheus G de Oliveira; Mauro L Baesso; Kennedy L Agra; José Suassuna Filho; Rodrigo J da Silva Lima

doi:10.1016/j.saa.2023.122761

Vitis vinifera Red Globe grape: In natura investigations on skin pigmentation using phase-resolved photoacoustic and TDDFT methods

Spectrochim Acta A Mol Biomol Spectrosc. 2023 Oct 5:298:122761. doi: 10.1016/j.saa.2023.122761. Epub 2023 Apr 20.

Authors

Carlos E Rufino da Silva¹, Matheus G de Oliveira², Mauro L Baesso³, Kennedy L Agra², José Suassuna Filho², Rodrigo J da Silva Lima⁴

Affiliations

¹ Unidade Acadêmica de Física, Laboratório de Espectroscopia Fotoacústica, Universidade Federal de Campina Grande, Rua Aprígio Veloso, Campina Grande, Paraíba, 58109-970, Brazil; Applied Physics and Materials Science Department, Northern Arizona University, 525 S. Beaver St., Flagstaff, AZ, 86011, USA. Electronic address: [email protected].
² Unidade Acadêmica de Física, Laboratório de Espectroscopia Fotoacústica, Universidade Federal de Campina Grande, Rua Aprígio Veloso, Campina Grande, Paraíba, 58109-970, Brazil.
³ Departamento de Física, Laboratório de Materiais Fototérmicos e Ópticos, Universidade Estadual de Maringá, Av. Colombo 5790, Maringá, Paraná, 87020-900, Brazil. Electronic address: [email protected].
⁴ Unidade Acadêmica de Física, Laboratório de Espectroscopia Fotoacústica, Universidade Federal de Campina Grande, Rua Aprígio Veloso, Campina Grande, Paraíba, 58109-970, Brazil; Department of Chemistry, University of Copenhagen, Universitetsparken 5, 2100, Copenhagen Ø, Denmark. Electronic address: [email protected].

PMID: 37141838
DOI: 10.1016/j.saa.2023.122761

Abstract

In this work we aimed to investigate the source of the Red Globe grape skin pigmentation. To achieve this goal, we used the phase-resolved photoacoustic technique to investigate the sample in natura and to access the phase-dependent absorbing entities. In addition, we used the time-dependent density functional theory (TDDFT) to contrast with our experimental spectroscopic results. We measured the absorption spectrum of the Red Globe grape in natura using the photoacoustic technique and recovered the main source pigmentation spectrum using the phase-resolved technique. Finally, using the TDDFT, we qualitatively analyzed the physical sources of the grape pigmentation and we found significant evidence that the main biomolecules responsible for the coloration of the grape are the cyanidin-3-O-glucoside and the peonidin-3-O-glucoside.

Keywords: Phase-Resolved photoacoustic spectroscopy; Time-dependent density functional theory; Vitis vinifera Red Globe grape.

MeSH terms

Anthocyanins / analysis
Density Functional Theory
Fruit / chemistry
Photoacoustic Techniques*
Skin Pigmentation
Spectrum Analysis
Vitis* / chemistry

Substances

Anthocyanins