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
  • [41] Antioxidant activity of thiourea derivatives: An experimental and theoretical study
    Dinh Quy Huong
    Mai Van Bay
    Pham Cam Nam
    JOURNAL OF MOLECULAR LIQUIDS, 2021, 340
  • [42] Spectroscopic studies on gallic acid and its azo derivatives and their iron(III) complexes
    Masoud, Mamdouh S.
    Ali, Alaa E.
    Haggag, Sawsan S.
    Nasr, Nessma M.
    SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2014, 120 : 505 - 511
  • [43] Antioxidant Peptidic Particles for Delivery of Gallic Acid
    Nourbakhsh, Himan
    Emam-Djomeh, Zahra
    Madadlou, Ashkan
    Mousavi, Mohammad E.
    Moosavi-Movahedi, Ali A.
    Gunasekaran, Sundaram
    JOURNAL OF FOOD PROCESSING AND PRESERVATION, 2017, 41 (01)
  • [44] The Apoptotic Effect of Gallic Acid and Its Derivatives on Primary Cultured Endometriosis Cells
    Bustami, Arleni
    Dachniar, Hajar
    Adyasa, Zoya Marie
    Nareswari, Salma Suka Kyana
    Sopiah, Popi
    Arsianti, Ade
    Natadisastra, Raden Muharram
    ADVANCED SCIENCE LETTERS, 2017, 23 (07) : 6697 - 6700
  • [45] Characterization and Antioxidant Activity of Gallic Acid Derivative
    Malinda, Krissan
    Sutanto, Hery
    Darmawan, Akhmad
    PROCEEDINGS OF THE 3RD INTERNATIONAL SYMPOSIUM ON APPLIED CHEMISTRY (ISAC) 2017, 2017, 1904
  • [46] Theoretical study of borazine and its derivatives
    Shen, Wei
    Li, Ming
    Li, Ying
    Wang, Silei
    INORGANICA CHIMICA ACTA, 2007, 360 (02) : 619 - 624
  • [47] Theoretical Study on Antioxidant Properties of Ferulic Acid
    Teramae, Hiroyuki
    Xuan, Meiyan
    Yamashita, Tsukasa
    Takayama, Jun
    Mari, O.
    JOURNAL OF COMPUTER CHEMISTRY-JAPAN, 2018, 17 (03) : 150 - 152
  • [48] Gallic acid decreases hepatitis C virus expression through its antioxidant capacity
    Govea-Salas, Mayela
    Maria Rivas-Estilla, Ana
    Rodriguez-Herrera, Raul
    Lozano-Sepulveda, Sonia A.
    Aguilar-Gonzalez, Cristobal N.
    Zugasti-Cruz, Alejandro
    Salas-Villalobos, Tanya B.
    Antonio Morlett-Chavez, Jesus
    EXPERIMENTAL AND THERAPEUTIC MEDICINE, 2016, 11 (02) : 619 - 624
  • [49] Antimicrobial Properties of Mandelic Acid, Gallic Acid and their Derivatives
    Ska, Renata Choi
    Dabrowska, Katarzyna
    Swislocka, Renata
    Lewandowski, Wlodzimierz
    Swiergiel, Artur H.
    MINI-REVIEWS IN MEDICINAL CHEMISTRY, 2021, 21 (17) : 2544 - 2550
  • [50] Ferulic acid: Therapeutic potential through its antioxidant property
    Srinivasan, Marimuthu
    Sudheer, Adluri R.
    Menon, Venugopal P.
    JOURNAL OF CLINICAL BIOCHEMISTRY AND NUTRITION, 2007, 40 (02) : 92 - 100
12345