A QSPR for Predicting Hg(II) Complexation by Natural Organic Matter

Mercury (II) complexation by natural organic matter (NOM) plays a crucial role in mercury toxicity and transport.  An Hg(II) QSPR calibrated using literature data for Hg(II)) ligands, including ligands with carboxylate, amine and thiol ligands, is validated using literature data on Hg(II)-NOM binding.  The binding is shown by the validated model to be strongly influenced by the presence of reduced sulfur groups within the NOM mixture, as it was thought to be so based on laboratory measurements.