A THEORETICAL STUDY ON THE ANTIOXIDANT PROPERTY OF GALLIC ACID AND ITS DERIVATIVES

被引：32
|
作者：
Kalita, Dipika [1 ]
Kar, Rahul [1 ]
Handique, Jyotirekha G. [1 ]
机构：
[1] Dibrugarh Univ, Dept Chem, Dibrugarh 786004, Assam, India
来源：
JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY | 2012年 / 11卷 / 02期
关键词：
Antioxidant; polyphenol; DFT; solvent; PHENOLIC-COMPOUNDS; ABSOLUTE HARDNESS; GAS-PHASE; DISSOCIATION; ELECTRONEGATIVITY; PARAMETERS; ATOM;
D O I：
10.1142/S0219633612500277
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
We analyze the antioxidant property of four phenolic compounds i.e., gallic acid, methyl gallate, ethyl gallate, and 4, 5-dihydroxy 3-methoxy benzoic acid through the determination of bond dissociation enthalpy (BDE), vertical ionization potential (IPv) in gas phase as well as in six different solvent medium. The theoretical trends of these phenolic compounds, based on BDE and IP, is compared with the scavenging activity towards HOCl. In addition, we compute and analyze the values of the density-based reactivity descriptors such as chemical potential, hardness, electrophilicity, and local softness.
引用
收藏
页码：391 / 402
页数：12
相关论文
共 50 条
  • [31] Derivatives of gallic acid Part II Gallic acid (and the cresotte acids) and chloral
    Alimchandani, RL
    Meldrum, AN
    JOURNAL OF THE CHEMICAL SOCIETY, 1921, 119 : 201 - 209
  • [32] Inhibition of the intestinal postprandial glucose transport by gallic acid and gallic acid derivatives
    Wang, Huijun
    Fowler, Mark I.
    Messenger, David J.
    Ordaz-Ortiz, Jose Juan
    Gu, Xuelan
    Shi, Songshan
    Terry, Leon A.
    Berry, Mark J.
    Lian, Guoping
    Wang, Shunchun
    FOOD & FUNCTION, 2021, 12 (12) : 5399 - 5406
  • [33] Complexation of ellagic acid with α-lactalbumin and its antioxidant property
    Diao, Mengxue
    Liang, Yuan
    Zhao, Jingqi
    Zhang, Jie
    Zhang, Tiehua
    FOOD CHEMISTRY, 2022, 372
  • [34] Some derivatives of gallic acid and pyrogallol
    Christiansen, WG
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1926, 48 : 1358 - 1365
  • [35] Gallic Acid/2-Hydroxypropyl-β-cyclodextrin Inclusion Complexes Electrospun Nanofibrous Webs: Fast Dissolution, Improved Aqueous Solubility and Antioxidant Property of Gallic Acid
    Yudong Song
    Hui Huang
    Dayong He
    Mei Yang
    Hao Wang
    Hao Zhang
    Jiali Li
    Yongxin Li
    Ce Wang
    Chemical Research in Chinese Universities, 2021, 37 : 450 - 455
  • [36] Study of gallic acid antioxidant molecule in interaction with solvents, aiming its utilization as a stabilizer of magnetic nanoparticles in suspensions
    Les, Anda
    Popescu, Larisa
    Creanga, Dorina
    Dorohoi, Dana-Ortansa
    Sacarescu, Liviu
    MOLECULAR CRYSTALS AND LIQUID CRYSTALS, 2023, 762 (01) : 1 - 12
  • [37] Gallic Acid/2-Hydroxypropyl-β-cyclodextrin Inclusion Complexes Electrospun Nanofibrous Webs: Fast Dissolution, Improved Aqueous Solubility and Antioxidant Property of Gallic Acid
    Song, Yudong
    Huang, Hui
    He, Dayong
    Yang, Mei
    Wang, Hao
    Zhang, Hao
    Li, Jiali
    Li, Yongxin
    Wang, Ce
    CHEMICAL RESEARCH IN CHINESE UNIVERSITIES, 2021, 37 (03) : 450 - 455
  • [38] Structure-activity relationship analysis of antioxidant ability and neuroprotective effect of gallic acid derivatives
    Lu, ZB
    Nie, GJ
    Belton, PS
    Tang, HR
    Zhao, BL
    NEUROCHEMISTRY INTERNATIONAL, 2006, 48 (04) : 263 - 274
  • [39] A theoretical study of the interactions of water with gallic acid and a PEO/TGG complex
    Gaudreault, R
    Van De Ven, TGM
    Whitehead, MA
    MOLECULAR SIMULATION, 2006, 32 (01) : 17 - 27
  • [40] Structure-activity relationship analysis of antioxidant ability and neuroprotective effect of gallic acid derivatives
    Zhao, B.
    Lu, Z.
    Nie, G.
    Tang, H.
    Belton, P.
    FREE RADICAL RESEARCH, 2006, 40 : S134 - S134
12345