Dataset Information

First Characterization of the Formation of Anthocyanin-Ge and Anthocyanin-B Complexes through UV-Vis Spectroscopy and Density Functional Theory Quantum Chemical Calculations.

ABSTRACT: 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.

SUBMITTER: Estevez L

PROVIDER: S-EPMC7875511 | biostudies-literature | 2021 Feb

REPOSITORIES: biostudies-literature

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First Characterization of the Formation of Anthocyanin-Ge and Anthocyanin-B Complexes through UV-Vis Spectroscopy and Density Functional Theory Quantum Chemical Calculations.

Estévez Laura L Queizán Marta M Mosquera Ricardo A RA Guidi Lucia L Lo Piccolo Ermes E Landi Marco M

Journal of agricultural and food chemistry 20210122 4

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 t ...[more]

PMID: 33481589

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Project description:Two-dimensional materials have been at the forefront of chemistry and materials science research for the past decade owing to promising applications across many fields. Improvements in exfoliation processes continually give access to new two-dimensional material compositions, demanding a deeper understanding of the defect structure and exfoliation mechanisms. Chemical exfoliation processes allow for both the fabrication of new, and the production of industrial-scale quantities of two-dimensional materials. For this reason, we report a rapid, efficient, and simple method for evaluating the exfoliation behavior of protonated lithium cobalt oxide. Using a two-step chemical exfoliation method, first by proton-cation exchange, then by treatment with an organo-ammonium hydroxide, the exfoliation yield of lithium cobalt oxide was quantified with a quick and powerful technique, ultraviolet-vis spectroscopy characterization. This method provided an in-depth analysis of the exfoliation of lithium cobalt oxide confirming and discovering many key aspects of its soft-chemical exfoliation relating to layered transition metal oxides. It was determined that the exfoliation yield has a strong dependence on multiple factors, such as the concentration of protons in the powder, the presence of water and hydroxide groups in solution, and the ionic radius and concentration of the intercalating cation. Both morphological changes occurring as a function of reaction conditions and the two-dimensional nature of the final sheets were revealed through scanning electron microscopy and atomic force microscopy. Relative proton concentration of acid-treated lithium cobalt oxide was determined as a function of acid concentration using time of flight secondary ion mass spectrometry after deuterated acid treatment. These experiments led to an improved understanding of the soft-chemical exfoliation of lithium cobalt oxide and can be applied to many layered transition metal oxides.

Dataset Information

First Characterization of the Formation of Anthocyanin-Ge and Anthocyanin-B Complexes through UV-Vis Spectroscopy and Density Functional Theory Quantum Chemical Calculations.

Publications

First Characterization of the Formation of Anthocyanin-Ge and Anthocyanin-B Complexes through UV-Vis Spectroscopy and Density Functional Theory Quantum Chemical Calculations.

Similar Datasets

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