RT Journal Article
T1 First characterization of the formation of anthocyanin–ge and anthocyanin–B complexes through UV–Vis spectroscopy and density functional theory quantum chemical calculations
A1 Estevez Guiance, Laura
A1 Queizan Cores, Marta
A1 Mosquera Castro, Ricardo Antonio
A1 Guidi, Lucia
A1 Lo Piccolo, Ermes
A1 Landi, Marco
K1 2307 Química Física
K1 2206 Física Molecular
AB The occurrence of anthocyanin (ACN) and metal (Me) complexes has been widely supported by many research works while the possibility that ACNs bind to metalloids (Mds) is yet to be proven. Here, metalloids (H3BO3 for B; GeO2 for Ge) were added to cyanidin-based solutions at pH 5, 6, and 7 and ACN–Md stoichiometric ratios of 1:1, 1:10, 1:100, and 1:500, and UV–vis transmittance spectroscopy as well as density functional theory (DFT) calculations were performed to test this hypothesis. Ge and B addition caused bathochromic and hyperchromic shifts on ACN UV–vis spectra, particularly pronounced at pH 5 and a 1:500 (ACN:Md) ratio. ACN–Me complexation reactions have been evaluated where Ge showed a higher capability to bind to ACNs than B. Among the complexes envisioned, those labeled as b1, b2, and b3 feature UV–vis spectra compatible with experiments. The combination of experimental and computational data offers for the first time evidence of the formation of ACN–Md complexes
PB Journal of Agricultural and Food Chemistry
SN 00218561
YR 2021
FD 2021-01-22
LK http://hdl.handle.net/11093/3162
UL http://hdl.handle.net/11093/3162
LA eng
NO Journal of Agricultural and Food Chemistry, 69(4): 1272-1282 (2021)
NO Xunta de Galicia | Ref. GRC2019/24
DS Investigo
RD 19-abr-2025