Modelling the isothermal degradation kinetics of metrafenone and mepanipyrim in a grape juice analog

Food Research International, 108, 339-346, 2018

DOI: 10.1016/j.foodres.2018.03.058

Five photodegradation products of metrafenone (MTF) and six of mepanipyrim (MEP) were identified in synthetic grape juice at 25 °C and the structures of the main reaction products established. The degradation of MTF and MEP was modelled by using three different strategies involving monitoring (a) the disappearance of the parent compound, (b) the conversion of the parent compound into its main structurally related reaction products and (c) the degradation of the parent compound to all intermediates and degradation end-products. The kinetic coefficients of degradation for these fungicides were determined and the corresponding half-lives found to be 20.8 h for MFT and 10.1 h for MEP. The proposed models afford reasonably accurate interpretation of the experimental data. Based on the results, modelling the kinetics of disappearance of the parent compound by itself does not ensure the best fit of the degradation behaviour of the fungicides.

Kinetic modelling of mancozeb hydrolysis and photolysis to ethylenethiourea and other by-products in water

Water Research 102 (2016) 561–571

http://dx.doi.org/10.1016/j.watres.2016.07.006

The aim of this study was to propose kinetic models suitable for reproducing and predicting mancozeb (Mz) conversion to by-products as a function of the operational conditions. The main factors (pH, temperature and light) potentially affecting the mancozeb degradation in aqueous models were studied by a multifactorial screening design. In addition, the response surface methodology (RSM) was applied to evaluate the interactive effects of these factors on ethylenethiourea (ETU) formation. The response surface revealed that the best degradation conditions to minimize mancozeb conversion to ETU were low pH (2), low temperature (25 °C) and darkness. Under these conditions, the percentage of mancozeb remained in the solution at 72 h was approximately 10% of the initial concentration and the percentage of ETU conversion was 5.4%. However, according to the model, in surface waters under typical environmental conditions (pH 8, 25 °C and light) the percentage of mancozeb conversion to ETU would be about 17.5%. The proposed model provides a satisfactory interpretation of the experimental data obtained during the hydrolysis of mancozeb.