Intermolecular copigmentation between five common 3-O-monoglucosidic anthocyanins and three phenolics in red wine model solutions: The influence of substituent pattern of anthocyanin B ring

•Copigmentation between 5 anthocyanins and 3 phenolic copigments were studied.•Chromatic, thermodynamic and theoretical methods were used.•Substituent pattern of anthocyanin B ring had great influence on copigmentation.•Diverse π-π stacking modes were observed through theoretical calculation. In thi...

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Veröffentlicht in:Food chemistry Jg. 326; S. 126960
Hauptverfasser: Zhao, Xu, Ding, Bo-Wen, Qin, Jia-Wei, He, Fei, Duan, Chang-Qing
Format: Journal Article
Sprache:Englisch
Veröffentlicht: England Elsevier Ltd 01.10.2020
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ISSN:0308-8146, 1873-7072, 1873-7072
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Abstract •Copigmentation between 5 anthocyanins and 3 phenolic copigments were studied.•Chromatic, thermodynamic and theoretical methods were used.•Substituent pattern of anthocyanin B ring had great influence on copigmentation.•Diverse π-π stacking modes were observed through theoretical calculation. In this study, intermolecular copigmentation between five primary wine monoglucosidic anthocyanins (cyanidin-3-O-glucoside, peonidin-3-O-glucoside, delphinidin-3-O-glucoside, petunidin-3-O-glucoside, and malvidin-3-O-glucoside) and three common wine phenolics (gallic acid, (−)-epicatechin, and quercetin-3-O-glucoside) were investigated through experimental and theoretical methods, and the influence of substituent pattern of anthocyanin B ring was studied emphatically. Chromatic and thermodynamic analysis showed there were great differences among these different pigment-copigment systems. Spatial conformations of the 15 copigmentation complexes were obtained through theoretical calculation, and diverse π-π stacking modes were observed. These results indicated that the substituent pattern of anthocyanin B ring had significant impact on its affinity to copigments, and more, the structures of pigments and copigments determined the color expression and stability of copigmentation together.
AbstractList •Copigmentation between 5 anthocyanins and 3 phenolic copigments were studied.•Chromatic, thermodynamic and theoretical methods were used.•Substituent pattern of anthocyanin B ring had great influence on copigmentation.•Diverse π-π stacking modes were observed through theoretical calculation. In this study, intermolecular copigmentation between five primary wine monoglucosidic anthocyanins (cyanidin-3-O-glucoside, peonidin-3-O-glucoside, delphinidin-3-O-glucoside, petunidin-3-O-glucoside, and malvidin-3-O-glucoside) and three common wine phenolics (gallic acid, (−)-epicatechin, and quercetin-3-O-glucoside) were investigated through experimental and theoretical methods, and the influence of substituent pattern of anthocyanin B ring was studied emphatically. Chromatic and thermodynamic analysis showed there were great differences among these different pigment-copigment systems. Spatial conformations of the 15 copigmentation complexes were obtained through theoretical calculation, and diverse π-π stacking modes were observed. These results indicated that the substituent pattern of anthocyanin B ring had significant impact on its affinity to copigments, and more, the structures of pigments and copigments determined the color expression and stability of copigmentation together.
In this study, intermolecular copigmentation between five primary wine monoglucosidic anthocyanins (cyanidin-3-O-glucoside, peonidin-3-O-glucoside, delphinidin-3-O-glucoside, petunidin-3-O-glucoside, and malvidin-3-O-glucoside) and three common wine phenolics (gallic acid, (−)-epicatechin, and quercetin-3-O-glucoside) were investigated through experimental and theoretical methods, and the influence of substituent pattern of anthocyanin B ring was studied emphatically. Chromatic and thermodynamic analysis showed there were great differences among these different pigment-copigment systems. Spatial conformations of the 15 copigmentation complexes were obtained through theoretical calculation, and diverse π-π stacking modes were observed. These results indicated that the substituent pattern of anthocyanin B ring had significant impact on its affinity to copigments, and more, the structures of pigments and copigments determined the color expression and stability of copigmentation together.
In this study, intermolecular copigmentation between five primary wine monoglucosidic anthocyanins (cyanidin-3-O-glucoside, peonidin-3-O-glucoside, delphinidin-3-O-glucoside, petunidin-3-O-glucoside, and malvidin-3-O-glucoside) and three common wine phenolics (gallic acid, (-)-epicatechin, and quercetin-3-O-glucoside) were investigated through experimental and theoretical methods, and the influence of substituent pattern of anthocyanin B ring was studied emphatically. Chromatic and thermodynamic analysis showed there were great differences among these different pigment-copigment systems. Spatial conformations of the 15 copigmentation complexes were obtained through theoretical calculation, and diverse π-π stacking modes were observed. These results indicated that the substituent pattern of anthocyanin B ring had significant impact on its affinity to copigments, and more, the structures of pigments and copigments determined the color expression and stability of copigmentation together.
In this study, intermolecular copigmentation between five primary wine monoglucosidic anthocyanins (cyanidin-3-O-glucoside, peonidin-3-O-glucoside, delphinidin-3-O-glucoside, petunidin-3-O-glucoside, and malvidin-3-O-glucoside) and three common wine phenolics (gallic acid, (-)-epicatechin, and quercetin-3-O-glucoside) were investigated through experimental and theoretical methods, and the influence of substituent pattern of anthocyanin B ring was studied emphatically. Chromatic and thermodynamic analysis showed there were great differences among these different pigment-copigment systems. Spatial conformations of the 15 copigmentation complexes were obtained through theoretical calculation, and diverse π-π stacking modes were observed. These results indicated that the substituent pattern of anthocyanin B ring had significant impact on its affinity to copigments, and more, the structures of pigments and copigments determined the color expression and stability of copigmentation together.In this study, intermolecular copigmentation between five primary wine monoglucosidic anthocyanins (cyanidin-3-O-glucoside, peonidin-3-O-glucoside, delphinidin-3-O-glucoside, petunidin-3-O-glucoside, and malvidin-3-O-glucoside) and three common wine phenolics (gallic acid, (-)-epicatechin, and quercetin-3-O-glucoside) were investigated through experimental and theoretical methods, and the influence of substituent pattern of anthocyanin B ring was studied emphatically. Chromatic and thermodynamic analysis showed there were great differences among these different pigment-copigment systems. Spatial conformations of the 15 copigmentation complexes were obtained through theoretical calculation, and diverse π-π stacking modes were observed. These results indicated that the substituent pattern of anthocyanin B ring had significant impact on its affinity to copigments, and more, the structures of pigments and copigments determined the color expression and stability of copigmentation together.
ArticleNumber 126960
Author Ding, Bo-Wen
He, Fei
Zhao, Xu
Qin, Jia-Wei
Duan, Chang-Qing
Author_xml – sequence: 1
  givenname: Xu
  surname: Zhao
  fullname: Zhao, Xu
  organization: Center for Viticulture and Enology, College of Food Science & Nutritional Engineering, China Agricultural University, Beijing 100083, China
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  givenname: Bo-Wen
  surname: Ding
  fullname: Ding, Bo-Wen
  organization: School of Environment, Beijing Normal University, Beijing 100875, China
– sequence: 3
  givenname: Jia-Wei
  surname: Qin
  fullname: Qin, Jia-Wei
  organization: Center for Viticulture and Enology, College of Food Science & Nutritional Engineering, China Agricultural University, Beijing 100083, China
– sequence: 4
  givenname: Fei
  surname: He
  fullname: He, Fei
  organization: Center for Viticulture and Enology, College of Food Science & Nutritional Engineering, China Agricultural University, Beijing 100083, China
– sequence: 5
  givenname: Chang-Qing
  surname: Duan
  fullname: Duan, Chang-Qing
  email: chqduan@cau.edu.cn
  organization: Center for Viticulture and Enology, College of Food Science & Nutritional Engineering, China Agricultural University, Beijing 100083, China
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Keywords Anthocyanin
Pt
vdW
Mv
Dp
BCP
Intermolecular copigmentation
Thermodynamics
CCP
Theoretical calculation
Chromatic characteristic
Cy
Qg
Ga
HB
Pn
Ec
RCP
Language English
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Snippet •Copigmentation between 5 anthocyanins and 3 phenolic copigments were studied.•Chromatic, thermodynamic and theoretical methods were used.•Substituent pattern...
In this study, intermolecular copigmentation between five primary wine monoglucosidic anthocyanins (cyanidin-3-O-glucoside, peonidin-3-O-glucoside,...
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SubjectTerms Anthocyanin
anthocyanins
Anthocyanins - analysis
Anthocyanins - chemistry
Chromatic characteristic
Color
gallic acid
Glucosides - analysis
Intermolecular copigmentation
Molecular Structure
Phenols - chemistry
Quercetin - analogs & derivatives
Quercetin - analysis
red wines
Theoretical calculation
Thermodynamics
Wine - analysis
Title Intermolecular copigmentation between five common 3-O-monoglucosidic anthocyanins and three phenolics in red wine model solutions: The influence of substituent pattern of anthocyanin B ring
URI https://dx.doi.org/10.1016/j.foodchem.2020.126960
https://www.ncbi.nlm.nih.gov/pubmed/32413752
https://www.proquest.com/docview/2404047863
https://www.proquest.com/docview/2439390382
Volume 326
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