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  • Environmental and human health issues related to long term contamination by chlordecone in the French West Indies
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Guest-host complexes of 1-iodochlordecone and β-1-iodo-pentachlorocyclohexane with cyclodextrins as radiotracers of organochlorine pesticides in polluted water


The chlordecone (CLD) and the β-hexachlorocyclohexane (β-HCH) are persistent organic pollutants with a great environmental stability that cause severe affectations to health. The concentration of these pesticides in the environment is low, which represent a problem for their determination, even for the modern analytical methods. The labeling of these compounds with an iodine radioisotope for their use as radiotracers is a potential solution to this problem. The present work studies the interaction of 1-iodochlordecone (I-CLD) and β-1-iodo-pentachlorocyclohexane (I-β-HCH) with cyclodextrins (CDs), during the formation of molecular inclusion complexes pesticide@CDs. The methodology of multiple minima hypersurfaces, quantic calculations based on density functional theory and a topologic study of electronic density were used to corroborate the stability of I-CLD@CDs and I-β-HCH@CDs complexes. Three main types of guest-host complexes in relation to the occlusion grade were observed: with total occlusion, with partial occlusion and external interaction without occlusion. The more stable complexes are obtained when the γ-CD is the host molecule. The formed complexes with radiolabelled pollutants are analogous with the ones reported in previous works. These results confirm the utility of these complexes for the removal of organochlorine pesticides from polluted water and, also, demonstrate the possibility of using the I-CLD and the I-β-HCH as possible radiotracers for these pollutants in further studies with environmental proposes.

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Computational calculations were performed using Wahoo, the cluster of the Centre Commun de Calcul Intensif of the Université des Antilles, Guadeloupe, France. The authors wish to thank Raphael Pasquier, Jacques Laminie and Pascal Poullet for their support with the calculation facilities. The Informatics service of InSTEC at Havana, Cuba, is also gratefully acknowledged. AFP thanks the Cooperation Service of the French Embassy in Cuba for supporting his stay in Guadeloupe.


The financial support was from the project CIMPest (CBA-330810-2018-P-1, INTEC, Dominican Republic) and project TATARCOP (InSTEC, Cuba).

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Correspondence to Ulises Jáuregui-Haza.

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Jáuregui-Haza, U., Ferino-Pérez, A., Gamboa-Carballo, J.J. et al. Guest-host complexes of 1-iodochlordecone and β-1-iodo-pentachlorocyclohexane with cyclodextrins as radiotracers of organochlorine pesticides in polluted water. Environ Sci Pollut Res (2020). https://doi.org/10.1007/s11356-020-07862-w

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  • Labelled organochlorine pesticides
  • Host-guest complexes
  • Radiotracers
  • Multiple minima hypersurfaces
  • Density functional theory
  • Quantum theory of atoms in molecules