Carole Bedos

Bio: Carole Bedos is an academic researcher from Agro ParisTech. The author has contributed to research in topics: Pesticide application & Volatilisation. The author has an hindex of 7, co-authored 14 publications receiving 205 citations.

Prediction of the fate of organic compounds in the environment from their molecular properties: a review.

Abstract: A comprehensive review of quantitative structure-activity relationships (QSAR) allowing the prediction of the fate of organic compounds in the environment from their molecular properties was done. The considered processes were water dissolution, dissociation, volatilization, retention on soils and sediments (mainly adsorption and desorption), degradation (biotic and abiotic), and absorption by plants. A total of 790 equations involving 686 structural molecular descriptors are reported to estimate 90 environmental parameters related to these processes. A significant number of equations was found for dissociation process (pKa), water dissolution or hydrophobic behavior (especially through the KOW parameter), adsorption to soils and biodegradation. A lack of QSAR was observed to estimate desorption or potential of transfer to water. Among the 686 molecular descriptors, five were found to be dominant in the 790 collected equations and the most generic ones: four quantum-chemical descriptors, the energy of the...

Measuring Leaf Penetration and Volatilization of Chlorothalonil and Epoxiconazole Applied on Wheat Leaves in a Laboratory-Scale Experiment.

Abstract: Estimation of pesticide volatilization from plants is difficult because of our poor understanding of foliar penetration by pesticides, which governs the amount of pesticide available for volatilization from the leaf surface. The description of foliar penetration is still incomplete because experimental measurements of this complex process are difficult. In this study, the dynamics of leaf penetration of C-chlorothalonil and C-epoxiconazole applied to wheat leaves were measured in a volatilization chamber, which allowed us to simultaneously measure pesticide volatilization. Fungicide penetration into leaves was characterized using a well-defined sequential extraction procedure distinguishing pesticide fractions residing at different foliar compartments; this enabled us to accurately measure the penetration rate constant into the leaves. The effect of pesticide formulation was also examined by comparing formulated and pure epoxiconazole. We observed a strong effect of formulation on leaf penetration in the case of a systemic product. Furthermore, the penetration rate constant of formulated epoxiconazole was almost three times that of pure epoxiconazole (0.47 ± 0.20 and 0.17 ± 0.07, respectively). Our experimental results showed high recovery rates of the radioactivity applied within the range of 90.5 to 105.2%. Moreover, our results confirm that pesticide physicochemical properties are key factors in understanding leaf penetration of pesticide and its volatilization. This study provides important and useful parameters for mechanistic models describing volatilization of fungicides applied to plants, which are scarce in the literature.

Ammonia Volatilization and Nitrogen Retention: How Deep to Incorporate Urea?

Abstract: Incorporation of urea decreases ammonia (NH) volatilization, but field measurements are needed to better quantify the impact of placement depth. In this study, we measured the volatilization losses after banding of urea at depths of 0, 2.5, 5, 7.5, and 10 cm in a slightly acidic (pH 6) silt loam soil using wind tunnels. Mineral nitrogen (N) concentration and pH were measured in the top 2 cm of soil to determine the extent of urea N migration and the influence of placement depth on the availability of ammoniacal N for volatilization near the soil surface. Ammonia volatilization losses were 50% of applied N when urea was banded at the surface, and incorporation of the band decreased emissions by an average of 7% cm (14% cm when expressed as a percentage of losses after surface banding). Incorporating urea at depths >7.5 cm therefore resulted in negligible NH emissions and maximum N retention. Cumulative losses increased exponentially with increasing maximum NH-N and pH values measured in the surface soil during the experiment. However, temporal variations in these soil properties were poorly related to the temporal variations in NH emission rates, likely as a result of interactions with other factors (e.g., water content and NH-N adsorption) on, and fixation by, soil particles. Laboratory and field volatilization data from the literature were summarized and used to determine a relationship between NH losses and depth of urea incorporation. When emissions were expressed as a percentage of losses for a surface application, the mean reduction after urea incorporation was approximately 12.5% cm. Although we agree that the efficiency of urea incorporation to reduce NH losses varies depending on several soil properties, management practices, and climatic conditions, we propose that this value represents an estimate of the mean impact of incorporation depth that could be used when site-specific information is unavailable.

Advances in understanding, models and parameterizations of biosphere-atmosphere ammonia exchange

Abstract: Atmospheric ammonia (NH3) dominates global emissions of total reactive nitrogen (Nr), while emissions from agricultural production systems contribute about two-thirds of global NH3 emissions; the remaining third emanates from oceans, natural vegetation, humans, wild animals and biomass burning. On land, NH3 emitted from the various sources eventually returns to the biosphere by dry deposition to sink areas, predominantly semi-natural vegetation, and by wet and dry deposition as ammonium \( \left({\text{NH}}_{4}^{ + }\right) \) to all surfaces. However, the land/atmosphere exchange of gaseous NH3 is in fact bi-directional over unfertilized as well as fertilized ecosystems, with periods and areas of emission and deposition alternating in time (diurnal, seasonal) and space (patchwork landscapes). The exchange is controlled by a range of environmental factors, including meteorology, surface layer turbulence, thermodynamics, air and surface heterogeneous-phase chemistry, canopy geometry, plant development stage, leaf age, organic matter decomposition, soil microbial turnover, and, in agricultural systems, by fertilizer application rate, fertilizer type, soil type, crop type, and agricultural management practices. We review the range of processes controlling NH3 emission and uptake in the different parts of the soil-canopy-atmosphere continuum, with NH3 emission potentials defined at the substrate and leaf levels by different \( \left[{\text{NH}}_{4}^{ + }\right] \)/[H+] ratios (Γ). Surface/atmosphere exchange models for NH3 are necessary to compute the temporal and spatial patterns of emissions and deposition at the soil, plant, field, landscape, regional and global scales, in order to assess the multiple environmental impacts of airborne and deposited NH3 and \( {\text{NH}}_{4}^{ + } \). Models of soil/vegetation/atmosphere NH3 exchange are reviewed from the substrate and leaf scales to the global scale. They range from simple steady-state, “big leaf” canopy resistance models, to dynamic, multi-layer, multi-process, multi-chemical species schemes. Their level of complexity depends on their purpose, the spatial scale at which they are applied, the current level of parameterization, and the availability of the input data they require. State-of-the-art solutions for determining the emission/sink Γ potentials through the soil/canopy system include coupled, interactive chemical transport models (CTM) and soil/ecosystem modelling at the regional scale. However, it remains a matter for debate to what extent realistic options for future regional and global models should be based on process-based mechanistic versus empirical and regression-type models. Further discussion is needed on the extent and timescale by which new approaches can be used, such as integration with ecosystem models and satellite observations.

Empirical Conversion of pKa Values between Different Solvents and Interpretation of the Parameters: Application to Water, Acetonitrile, Dimethyl Sulfoxide, and Methanol

Abstract: An empirical conversion method (ECM) that transforms pKa values of arbitrary organic compounds from one solvent to the other is introduced. We demonstrate the method’s usefulness and performance on pKa conversions involving water and organic solvents acetonitrile (MeCN), dimethyl sulfoxide (Me2SO), and methanol (MeOH). We focus on the pKa conversion from the known reference value in water to the other three organic solvents, although such a conversion can also be performed between any pair of the considered solvents. The ECM works with an additive parameter that is specific to a solvent and a molecular family (essentially characterized by a functional group that is titrated). We formally show that the method can be formulated with a single additive parameter, and that the extra multiplicative parameter used in other works is not required. The values of the additive parameter are determined from known pKa data, and their interpretation is provided on the basis of physicochemical concepts. The data set of k...

An overview on common aspects influencing the dissipation pattern of pesticides: a review

Abstract: The common aspects and processes influencing dissipation kinetics of pesticides are determinants of their fate in the environment. Nowadays, with increasing population, the demand for food and fodder crops has also increased. With the development in science and technology, the methods of controlling pests may improve, but the major role played by the environment cannot be altered, i.e. the environmental factors, climatic conditions, and geology of areas under cultivation. Plants play a crucial role in the dissipation kinetics, as they may vary in species and characteristics. Differences in physico-chemical properties, such as formulation, bioavailability, and efficacy of the pesticide, may result in variable dissipation patterns even under the same environmental conditions. While modelling the dissipation kinetics for any specific pesticide applied to any specific crop, each factor must be considered. This review focusses on the variability observed across common factors, i.e. environmental aspects, plant-associated facts, and observed characteristics of chemical substances, influencing pesticide dissipation.