| Autor: |
Labulo AH; Department of Chemistry, Federal University of Lafia, Lafia, Nigeria., David OA; Department of Plant Science and Biotechnology, Federal University Oye-Ekiti, Oye-Ekiti, Nigeria.; Plant Environmental Signalling and Development, Faculty of Biology, University of Freiburg, Freiburg, Germany.; CIBSS (Centre for Integrative Biological Signalling Studies), University of Freiburg, Freiburg, Germany., Hassan I; Department of Chemistry, Federal University of Lafia, Lafia, Nigeria., Oseghale CO; Department of Chemistry, Federal University of Lafia, Lafia, Nigeria., Terna AD; Department of Chemistry, Federal University of Technology Owerri, Owerri, Nigeria., Olawuni I; Department of Biochemistry, Obafemi Awolowo University, Ile-Ife, Nigeria., Ndamadu DT; Department of Plant Science and Biotechnology, Federal University Oye-Ekiti, Oye-Ekiti, Nigeria., Ajewole TO; Department of Plant Science and Biotechnology, Federal University Oye-Ekiti, Oye-Ekiti, Nigeria. |
| Abstrakt: |
The studies showed the effectiveness of green-synthesized SiO 2 NPs in mitigating the toxicity of Arsenic. Density Functional Theory (DFT) is a computational method used to determine electronic structure, energy gap, and toxicity prediction. Experimentally, silicon nanoparticles of 0 (S0) and 100% v/v (S100) were applied to the surface of the soil. 150 mL of Arsenic trioxide was applied twice at a rate of 0 (As0) and 3.2 g/mL (As3.2) at an interval of three weeks. Green synthesized SiO2NPs possessed a higher chemical potential (µ) and electrophilicity index; consequently, charges could be transferred and easily polarized. The highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) levels of the green synthesized SiO 2 NPs enable them to donate electrons and complex with arsenic, reducing their bioavailability and toxicity. Evidence from the studies further showed that SiO 2 NPs had buffered the soil acidity and electric conductivity, posing a high binding site and reactivity with exchangeable cations and micronutrients due to their smaller energy gap. Furthermore, the catalytic activities of the soil enzymes dehydrogenase (DHA) and peroxidase (POD) were greatly increased, which enhanced the electrostatic interaction between the SiO 2 NPs and As. |
