Evidence of indoor sinks for formaldehyde through the field measurements using passive flux sampler and mass balance.

A measurement campaign was conducted in 24 student rooms where formaldehyde emissions from all the indoor surfaces were measured using a passive flux sampler (PFS) parallel to monitoring of indoor and outdoor concentrations as well as the assessment of air exchange rate. Two mass balance models were used to predict indoor concentrations basing on input data recorded during this measurement campaign. The first model only takes into account the total emission from the indoor sources and the incoming and outgoing flows of compound brought by the air exchange rate. The second model added to these terms a further component related to the overall rate of removal processes (or "indoor sinks") which was assessed in these same rooms during a previous field test campaign. A good agreement was found between the concentrations calculated by the model with the component relative to indoor removal processes and the measured concentrations. On the other hand, the predicted concentrations with a first model tend to highly overestimate the measured concentrations by a factor 1.9 on average. Apportionment of formaldehyde inputs and losses in the rooms was estimated and discussed. The results highlighted that indoor removal processes are a component to consider for formaldehyde budget indoors.

Epoxiconazole exposure affects terpenoid profiles of oilseed rape plantlets based on a targeted metabolomic approach.

Epoxiconazole is a broad-spectrum fungicide described as highly persistent in soil and as such can be considered as an abiotic agent like other problematic agrochemicals. Furthermore, the plant phenotyping tool involving non-invasive monitoring of plant-emitted volatile organic compounds (VOCs) may be useful in the identification of metabolic markers for abiotic stress. We therefore decided to profile the VOCs from secondary metabolism of oilseed rape through a dose-response experiment under several epoxiconazole concentrations (0, 0.01, 0.1 and 1 mg L-1). VOC collections of 35-day-old whole plantlets were performed through a dynamic headspace sampling technique under defined and controlled conditions. The plantlets grew freely within a home-made, laboratory and high-throughput glass chamber without any disturbance. Putative metabolic markers were analysed using a targeted metabolomic approach based on TD-GC-MS method coupled with data acquisition in SIM mode in order to focus on terpenes and sulphur-containing volatiles. Chromatograms of emitted terpenes were achieved accurately for the 35-day-old oilseed rape plantlets. We also analysed the presence of sulphur-containing volatiles in samples of shoot and root tissues using an innovative DHS-TD-GC-MS method, but no difference was found between qualitative profiles. Nevertheless, we demonstrated through this experiment that sesquiterpenes such as ß-elemene and (E,E)-α-farnesene are involved in epoxiconazole dose-response. In particular, (E,E)-α-farnesene could serve as a metabolic marker of fungicide exposure for oilseed rape plantlets.

A laboratory high-throughput glass chamber using dynamic headspace TD-GC/MS method for the analysis of whole Brassica napus L. plantlet volatiles under cadmium-related abiotic stress.

INTRODUCTION: The dynamic headspace sampling technique using thermal desorption, gas chromatography-mass spectrometry (TD-GC/MS) is a powerful method for analysing plant emissions of volatile organic compounds (VOCs), and experiments performed in sterile and controlled conditions can be useful for VOC metabolism investigations. OBJECTIVE: The main purpose of this study was to set up a laboratory high-throughput glass chamber for whole plant volatiles analysis. Brassica napus L. plantlets were tested with the developed system to better understand the relationship between low emission of induced terpene and cadmium (Cd)-related abiotic stress. METHODOLOGY: VOCs emitted by 28-day-old Brassica napus L. plantlets cultivated in vitro were trapped with our device using adsorbent cartridges that were desorbed with a thermal desorption unit before cryofocusing with a cooled injection system and programmable temperature vaporising inlet into an HP-5 ms GC column. Terpene detection and quantitation from chromatogram profiles were acquired using selected ion monitoring (SIM) mode during full scan analysis and mass spectra were obtained with a quadrupole-type mass spectrometer. RESULTS: The new trapping method produced reliable qualitative profiles of oilseed rape VOCs. Typical emissions of monoterpenes (myrcene, limonene) and sesquiterpenes (ß-elemene, (E,E)-α-farnesene) were found for the different concentrations tested. One-way analysis of variance for quantitative results of (E,E)-α-farnesene emission rates showed a Cd concentration effect. CONCLUSION: This inexpensive glass chamber has potential for wide application in laboratory sterile approach and replicated research. Moreover, the non-invasive dynamic sampling technique could also be used to analyse volatiles under both abiotic and biotic stresses.

Molecular properties affecting the adsorption coefficient of pesticides from various chemical families.

Forty pesticides were selected in function of their chemical families and their physico-chemical properties to represent a wide range of pesticide properties. Adsorption of these pesticides was studied on two soils by batch experiments. The two soils differed largely in organic matter and calcite contents. Distribution coefficient Kd was determined for each pesticide on the two soils. Adsorption was higher for the soil having the highest organic matter content and the lowest calcite content. In order to identify pesticide properties governing retention, eight molecular descriptors were determined from three-dimensional (3D) structure of molecules. Class-specific quantitative structure properties relationship (QSPR) soil adsorption models using one and two parameters were developed from experimental Kd. Three properties seemed to influence most retention of pesticides: hydrophobicity, solubility, and polarisability. Models combining these properties were suggested and discussed.

Molecular properties affecting the adsorption coefficient of phenylurea herbicides.

The adsorption of 12 pesticides of the phenylurea family was studied by batch experiments in order to determine the adsorption coefficient, K d. The study was conducted in two soils chosen for their differences in organic matter and calcite contents. K d pesticide adsorption coefficients were higher for soil S1 than for soil S2 due to the presence of a higher organic matter content and a lower calcite content in soil S1. To identify pesticide properties governing retention, 18 molecular descriptors were considered. Class-specific quantitative structure-property relationship (QSPR) soil sorption models using one, two, and three descriptors were developed from our experimental data using linear regressions. One of the aims of this work was to check whether QSPR models that did not include literature values of K ow were able to predict K d coefficients in satisfactory agreement with our experimental data. The influence of the level of theory in determining K ow and polarisability predictors on the predictive performance of the model was also examined by comparing quantum chemistry and empirical (QikProp) approaches. The one-descriptor model using "quantum" polarisability α was found to perform almost as well as or better than the other models.