@article{fdi:010089830,
  title = {{A}pplication of mid-infrared spectroscopy to the prediction and specification of pesticide sorption : a promising and cost-effective tool},
  author = {{D}ollinger, {J}. and {T}hoisy, {J}.{C}. and {G}omez, {C}{\'e}cile and {S}amouelian, {A}.},
  editor = {},
  language = {{ENG}},
  abstract = {{T}he cocktail of pesticides sprayed to protect crops generates a miscellaneous and generalized contamination of water bodies. {S}orption, especially on soils, regulates the spreading and persistence of these contaminants. {F}ine resolution sorption data and knowledge of its drivers are needed to manage this contamination. {T}he aim of this study is to investigate the potential of {M}id-{I}nfrared spectroscopy ({MIR}) to predict and specify the adsorption and desorption of a diversity of pesticides. {W}e constituted a set of 37 soils from {F}rench mainland and {W}est {I}ndies covering large ranges of texture, organic carbon, minerals and p{H}. {W}e measured the adsorption and desorption coefficients of glyphosate, 2,4-dichlorophenoxyacetic acid (2,4-{D}) and difenoconazole and acquired {MIR} {L}ab spectra for these soils. {W}e developed {P}artial {L}east {S}quare {R}egression ({PLSR}) models for the prediction of the sorption coefficients from the {MIR} spectra. {W}e further identified the most influencing spectral bands and related these to putative organic and mineral functional groups. {T}he prediction performance of the {PLSR} models was generally high for the adsorption coefficients {K}dads (0.4 < {R}2 < 0.9 & {RPIQ} >1.8). {I}t was contrasted for the desorption coefficients and related to the magnitude of the desorption hysteresis. {T}he most significant spectral bands in the {PLSR} differ according to the pesticides indicating contrasted interactions with mineral and organic functional groups. {G}lyphosate interacts primarily with polar mineral groups ({OH}) and difenoconazole with hydrophobic organic groups ({CH}2, {C}double bond{C}, {COO}?, {C}-{O}, {C}-{O}-{C}). 2,4-{D} has both positive and negative interactions with these groups. {F}inally, this work suggests that {MIR} combined with {PLSR} is a promising and cost-effective tool. {I}t allows both the prediction of adsorption and desorption parameters and the specification of these mechanisms for a diversity of pesticides including polar active ingredients.},
  keywords = {{GUADELOUPE} ; {BASSE} {TERRE}},
  booktitle = {},
  journal = {{E}nvironmental {P}ollution},
  volume = {345},
  numero = {},
  pages = {123566 [13 ]},
  ISSN = {0269-7491},
  year = {2024},
  DOI = {10.1016/j.envpol.2024.123566},
  URL = {https://www.documentation.ird.fr/hor/fdi:010089830},
}