그림 1. 안토시아닌 유도체의 분자구조 (a)아우란티니딘, (b)카펜 시니딘, (c)시아니딘 그리고 (d)델피니딘. Figure 1. The structure of anthocyanine derivatives (a)Aurantinidin, (b)Capensinidin, (c)Cyanidin and (d)Delphinidin.
그림 2. 하이퍼캠 PM3 방법으로 계산된 안토시아닌 유도체 (a)아우란티니딘, (b)카펜시니딘, (c)시아니딘 그리고 (d)델피니딘의 3차원 구조. Figure 2. The three dimensional structure of the anthocyanin derivatives (a)Aurantinidin, (b)Capensinidin, (c)Cyanidin and (d)Delphinidin calculated by HyperChem PM3 methods.
그림 3. 하이퍼캠 PM3 방법으로 계산된 안토시아닌 유도체 (a)아우란티니딘, (b)카펜시니딘, (c)시아니딘 그리고 (d)델피니딘의 경계분자궤도함수.. Figure 3. The frontier molecular orbitals for anthocyanin derivatives (a)Aurantinidin, (b)Capensinidin, (c)Cyanidin and (d)Delphinidin calculated by HyperChem PM3 methods.
그림 4. 하이퍼캠 PM3 방법으로 계산된 안토시아닌 유도체 (a)아우란티니딘, (b)카펜시니딘, (c)시아니딘 그리고 (d)델피니딘의 정전포텐셜의 3차원 분포구조. Figure 4. The 3D geometry of the distribution electrostatic potential of anthocyanin derivatives (a)Aurantinidin, (b)Capensinidin, (c)Cyanidin and (d)Delphinidin calculated by HyperChem PM3 methods.
그림 5. 하이퍼캠 PM3 방법으로 계산된 안토시아닌 유도체 (a)아우란티니딘, (b)카펜시니딘, (c)시아니딘 그리고 (d)델피니딘의 원자전하. Figure 5. The atomic charge of anthocyanin derivatives (a)Aurantinidin, (b)Capensinidin, (c)Cyanidin and (d)Delphinidin calculated by HyperChem PM3 methods.
표 1. 하이퍼캠의 PM3방법으로 계산된 안토시아닌 유도체의 열 역학적 파라메타 Table 1. Thermodynamic parameter of anthocyanin derivatives calculated by HyperChem PM3 methods.
References
- Danila Di Majo, Maurizio La Guardia, Santo Giammanco, Laura La Neve, Marco Giammanco, The antioxidant capacity of red wine in relationship with its polyphenolic constituents. Food Chemistry, 111, 45-49, (2008). https://doi.org/10.1016/j.foodchem.2008.03.037
- Burin V, Falcao L, Gonzaga L, Fett R, Rosier J, Bordignon M, Colour, Phenolic Content and antioxidant activity of grape Juise Cienc. Tecnol. Aliment., Campi Nas, 30, 1027-1032, (2010). https://doi.org/10.1590/S0101-20612010000400030
- Benedicte Lorrain, Isabelle Ky, Laurent Pechamat and Pierre-Louis Teissedre, Evolution of Analysis of Polyhenols from Grapes, Wines, and Extracts. Molecules, 18, 1076-1100, (2013). https://doi.org/10.3390/molecules18011076
- Evangelos D. Trikas, Rigini M. Papi, Dimitrios A. Kyriakidis and George A. Zachariadis/ A Sensitive LC-MS Method for Anthocyanins and Comparison of Byproducts and Equivalent Wine Content/ Separations. 3, 18, (2016). https://doi.org/10.3390/separations3020018
- Papadoyannis, I., Samanidou, V., Antoniou, C. Gradient RP-HPLC Determination of Free Phenolic Acids in Wines and Wine Vinegar Samples after SPE, with Photodiode Array Identification. J. Liq. Chromatogr. Relat. Tech. 24, 2161-2176, (2001). https://doi.org/10.1081/JLC-100104899
- M. Kharadze, I. Djaparidze, M. Vanidze, A. Kalandia. Antioxidant Activity of Grape Chkhaveri and Its Wine Cultivated in West Georgia (Adjaria). World Academy of Science, Engineering and Technology, International Journal of Chemical and Molecular Engineering. 11 ( 2017).
- (a) Allinger, N. L.; Yuh, Y. QCP E, 12, 395;(1980)
- (b) Allinger, N. L. J. Am. Chem. Soc., 99, 8122 (1977)
- (c) Burkert, U.; Allinger, N. L. "MolecularMechanics" American Chemical Society, wasington D. C. (1982)
- J.P. Stewart, J. Comput. Chem. 10, (2), 209 (1989). https://doi.org/10.1002/jcc.540100208
- HyperChem, Molecular visualization and simulation program package, Hypercube, Gainsville, Fl. (1995 -2011).