Theoretical and Thermodynamics Studies of Complexes Formation between Natural Flavonoids and Hg (II) Ion

Abstract

Sahil A. Alasady, Yasmeen H. Muhamad, Rana S. Ahmed.

Mercury, one of the toxic metals, that is highly toxic to humans, it released into the environment as a result of both natural processes as well as due to anthropogenic activities. Chelation therapy is a medical procedure that involves the administration of chelating agents to remove heavy metals from the body. The application of natural chemical chelators is one of the traditional methods of removing toxic metals from the body. Flavonoids are natural products widely distributed in plant and form one of the main classes of secondary metabolites. They can coordinate metal ions and form complexes due to the presence of carbonyl and hydroxyl groups. The review considers the possible role of flavonoids as natural chelating and detoxifying agents. Natural flavonoids such as Quercetin and Catechin used as models to elucidate their impact on against metal toxicity. The equilibrium constants and the thermodynamic parameters for complex formation between natural flavonoids and Hg (II) Ion have been determined by Spectrophotometric measurements in water and ethanol at different temperatures. The stoichiometry of the complexes was determined using Job's method. Both Quercetin-Hg(II) and catechin-Hg (II) complexes presented 1:1 stoichiometry. Thermodynamic parameters (∆G, ∆H and ∆S) of the complexes were obtained from the various Van’t Hoff’s plots of lnK against 1/T. An attempt was made to obtain more information from the quantum chemical calculations about the structures of both free and complex forms of flavonoid. Quantum chemical calculations were performed to ascertain the correlation between their experimental results. The density function theory (DFT) calculation at the B3LYP method with LanL2DZ basis set are used to investigate the optimized geometry parameters of flavonoids and their complexes with Hg (II) metal. Moreover, HOMOâ€�LUMO energies of the mentioned compounds have been computed.

Most Viewed Articles
  • Dental Development between Assisted Reproductive Therapy (Art) and Natural Conceived Children: A Comparative Pilot Study Norzaiti Mohd Kenali, Naimah Hasanah Mohd Fathil, Norbasyirah Bohari, Ahmad Faisal Ismail, Roszaman Ramli SRP. 2020; 11(1): 01-06 » doi: 10.5530/srp.2020.1.01
  • Psychometric properties of the World Health Organization Quality of life instrument, short form: Validity in the Vietnamese healthcare context Trung Quang Vo*, Bao Tran Thuy Tran, Ngan Thuy Nguyen, Tram ThiHuyen Nguyen, Thuy Phan Chung Tran SRP. 2020; 11(1): 14-22 » doi: 10.5530/srp.2019.1.3
  • A Review of Pharmacoeconomics: the key to “Healthcare for All” Hasamnis AA, Patil SS, Shaik Imam, Narendiran K SRP. 2019; 10(1): s40-s42 » doi: 10.5530/srp.2019.1s.21
  • Deuterium Depleted Water as an Adjuvant in Treatment of Cancer Anton Syroeshkin, Olga Levitskaya, Elena Uspenskaya, Tatiana Pleteneva, Daria Romaykina, Daria Ermakova SRP. 2019; 10(1): 112-117 » doi: 10.5530/srp.2019.1.19
Most Downloaded
  • Dental Development between Assisted Reproductive Therapy (Art) and Natural Conceived Children: A Comparative Pilot Study Norzaiti Mohd Kenali, Naimah Hasanah Mohd Fathil, Norbasyirah Bohari, Ahmad Faisal Ismail, Roszaman Ramli SRP. 2020; 11(1): 01-06 » doi: 10.5530/srp.2020.1.01
  • Manilkara zapota (L.) Royen Fruit Peel: A Phytochemical and Pharmacological Review Karle Pravin P, Dhawale Shashikant C SRP. 2019; 10(1): 11-14 » doi: 0.5530/srp.2019.1.2
  • Pharmacognostic and Phytopharmacological Overview on Bombax ceiba Pankaj Haribhau Chaudhary, Mukund Ganeshrao Tawar SRP. 2019; 10(1): 20-25 » doi: 10.5530/srp.2019.1.4
  • A Review of Pharmacoeconomics: the key to “Healthcare for All” Hasamnis AA, Patil SS, Shaik Imam, Narendiran K SRP. 2019; 10(1): s40-s42 » doi: 10.5530/srp.2019.1s.21
  • A Prospective Review on Phyto-Pharmacological Aspects of Andrographis paniculata Govindraj Akilandeswari, Arumugam Vijaya Anand, Palanisamy Sampathkumar, Puthamohan Vinayaga Moorthi, Basavaraju Preethi SRP. 2019; 10(1): 15-19 » doi: 10.5530/srp.2019.1.3