Assessment of pesticides volatilization potential based on their molecular properties using the TyPol tool

JOURNAL OF HAZARDOUS MATERIALS

卷:415

Article

Mamy, Laure¹  Bonnot, Kevin¹  Benoit, Pierre¹  Bockstaller, Christian¹  Latrille, Eric²  Rossard, Virginie³  Servien, Remi³  Patureau, Dominique³  Prevost, Laetitia⁴  Pierlot, Frederic^2,4  Bedos, Carole¹ 

[1] Univ Paris Saclay, INRAE, AgroParisTech, UMR ECOSYS, F-78850 Thiverval Grignon 78850, France

[2] Univ Lorraine, INRAE, LAE, F-68000 Colmar, France

[3] Univ Montpellier, INRAE, LBE, 102 Ave Etangs, F-11100 Narbonne, France

[4] Chambre Reg Agr Grand Est, F-54520 Laxou, France

关键词: Air contamination;    Soil;    Plant;    Measurements;    Risk;    Molecular descriptors;   

DOI  :  10.1016/j.jhazmat.2021.125613

来源: Elsevier

【 摘 要 】

Following treatment, amounts of pesticides can reach the atmosphere because of spray drift, volatilization from soil or plants, and/or wind erosion. Monitoring and risk assessment of air contamination by pesticides is a recent issue and more insights on pesticide transfer to atmosphere are needed. Thus, the objective of this work was to better understand and assess pesticides emission potential to air through volatilization. The TyPol tool was used to explore the relationships between the global, soil and plant volatilization potentials of 178 pesticides, and their molecular properties. The outputs of TyPol were then compared to atmospheric pesticide concentrations monitored in various French regions. TyPol was able to discriminate pesticides that were observed in air from those that were not. Clustering considering parameters driving the emission potential from soil (sorption characteristics) or plant (lipophilic properties), in addition to vapor pressure, allowed better discrimination of the pesticides than clustering considering all parameters for the global emission potential. Pesticides with high volatilization potential have high total energy, and low molecular weight, molecular connectivity indices and polarizability. TyPol helped better understand the volatilization potential of pesticides. It can be used as a first step to assess the risk of air contamination by pesticides.

【 授权许可】

Free