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Theoretical Study of the Effects of Pesticides on DNA Bases

Undergraduate #274
Discipline: Nanoscience
Subcategory: Nanoscience

Joshua Hodge - Hinds Community College Utica Campus
Co-Author(s): Asia Braxton, Hinds Community College, Utica, MS DeAnn Banks, Alcorn State University, Lorman, MS



The goal of this project was to replace the adverse components in pesticides with a less damaging component that is non-destructive to human body and also less toxic to crops. Five of the most damaging components in pesticides which include, Chlorine, Arsenic, Ammonia, Formaldehyde, and Methanol relative energies were calculated using Density Functional Theory B3LYP /6-311+G(d,p). Each pesticide was paired with each DNA base (N9H Guanine, N9H Adenine, Cytosine and Thymine) and with DNA base pairs (N9H Guanine and Adenine; Cytosine and Thymine). Ammonia, Methanol and Formaldehyde were determined to be less destructive to the human body while Chlorine and Arsenic needs further investigation due to its harmful effects according to our results. In future research, Chlorine and Arsenic (the two most harmful pollutants) would be eliminated completely and will be replaced by a nanoparticle (Copper (II) Oxide), which has been proven to be a safer option. The nanoparticle substitution will be combined with Ammonia, Methanol and Formaldehyde that would keep pesticides effective and less damaging to DNA Bases and Base Pairs. Also the testing method would be changed in order to save time and money.

Funder Acknowledgement(s): National Science Foundation

Faculty Advisor: Noel Gardner,

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This material is based upon work supported by the National Science Foundation (NSF) under Grant No. DUE-1930047. Any opinions, findings, interpretations, conclusions or recommendations expressed in this material are those of its authors and do not represent the views of the AAAS Board of Directors, the Council of AAAS, AAAS’ membership or the National Science Foundation.

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