Enantio-selective molecular dynamics of (±)-o,p-DDT uptake and degradation in water-sediment system

Imran Ali; Omar M L Alharbi; Zeid A Alothman; Abdulrahman Alwarthan

doi:10.1016/j.envres.2017.10.022

Enantio-selective molecular dynamics of (±)-o,p-DDT uptake and degradation in water-sediment system

Environ Res. 2018 Jan:160:353-357. doi: 10.1016/j.envres.2017.10.022. Epub 2017 Oct 18.

Authors

Imran Ali¹, Omar M L Alharbi², Zeid A Alothman³, Abdulrahman Alwarthan³

Affiliations

¹ Department of Chemistry, Faculty of Sciences, Taibah University, Al-Medina Al-Munawara 41477, Saudi Arabia; Department of Chemistry, Jamia Millia Islamia, (Central University), New Delhi, India. Electronic address: drimran_ali@yahoo.com.
² Biology Department, Faculty of Sciences, Taibah University, Al-Medina Al-Munawara 41477, Saudi Arabia.
³ Department of Chemistry, College of Science, King Saud University, Riyadh 11451, Kingdom of Saudi Arabia.

PMID: 29055210
DOI: 10.1016/j.envres.2017.10.022

Abstract

Enantio-selective molecular dynamics of (±)-o,p-DDT uptake and degradation in water-sediment system is described. Both uptake and degradation processes of (-)-o,p-DDT were slightly higher than (+)-o,p-DDT enantiomer. The optimized parameters for uptake were 7.0μgL^-1 concentration of o,p-DDT, 60min contact time, 5.0pH, 6.0gL^-1 amount of reverine sediment and 25°C temperature. The maximum degradation of both (-)- and (+)-o,p-DDT was obtained with 16 days, 0.4μgL^-1 concentration of o,p-DDT, pH 7 and 35°C temperature. Both uptake and degraded process followed first order rate reaction. Thermodynamic parameters indicated exothermic nature of uptake and degradation processes. Both uptake and degradation were slightly higher for (-)-enantiomer in comparison to (+)-enantiomer of o,p-DDT. It was concluded that both uptake and degradation processes are responsible for the removal of o,p-DDT from nature but uptake plays a crucial role. The percentage degradations of (-)- and (+)-o,p-DDT were 30.1 and 29.5, respectively. This study may be useful to manage o,p-DDT contamination of our earth's ecosystem.

Keywords: Degradation; Enantiomers; Kinetics; Thermodynamics; Uptake; o; p-DDT.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

DDT / chemistry*
Geologic Sediments
Hydrogen-Ion Concentration
Kinetics
Molecular Dynamics Simulation
Stereoisomerism
Thermodynamics
Water Pollutants, Chemical / chemistry*

Substances

Water Pollutants, Chemical
DDT
o,p'-DDT