PestLCI 2.0 sensitivity to soil variations for the evaluation of pesticide distribution in Life Cycle Assessment studies.

Pesticides are commonly applied in conventional agricultural systems, but they can lead to serious environmental contamination. The calculation of on-field pesticide emissions in Life Cycle Assessment (LCA) studies is challenging, because of the difficulty in the calculation of the fate of pesticides and, therefore, several literature approaches based on different dispersion models have been developed. PestLCI 2.

Ultrasensitive Ethene Detector Based on a Graphene-Copper(I) Hybrid Material.

Ethene is a highly diffusive and relatively unreactive gas that induces aging responses in plants in concentrations as low as parts per billion. Monitoring concentrations of ethene is critically important for transport and storage of food crops, necessitating the development of a new generation of ultrasensitive detectors. Here we show that by functionalizing graphene with copper complexes biologically relevant concentrations of ethene and of the spoilage marker ethanol can be detected.

Extremely bulky copper(i) complexes of [HB(3,5-{1-naphthyl}pz)] and [HB(3,5-{2-naphthyl}pz)] and their self-assembly on graphene.

The synthesis and characterization, using NMR (H and C), infrared spectroscopy, and X-ray crystallography, of the ethene and carbon monoxide copper(i) complexes of hydridotris(3,5-diphenylpyrazol-1-yl)borate ([Tp]) and the two new ligands hydridotris(3,5-bis(1-naphthyl)pyrazol-1-yl)borate ([Tp]) and hydridotris(3,5-bis-(2-naphthyl)pyrazol-1-yl)borate ([Tp]) are described. X-ray crystal structures are presented of [Cu(Tp)(CH)] and [Cu(Tp)(CH)]. The compound [Cu(Tp)(CH)] features interactions between the protons of the ethene ligand and the π-electron clouds of the phenyl substituents that make up the binding pocket surrounding the copper(i) center.

Highly tunable fluorinated trispyrazolylborates [HB(3-CF3-5-{4-RPh}pz)3](-) (R = NO2, CF3, Cl, F, H, OMe and NMe2) and their copper(I) complexes.

The ethene and carbon monoxide adducts of copper(I) with seven trispyrazolylborate ligands ([HB(3-CF3-5-{4-RPh}pz)3](-); R = NO2 (4a), CF3 (4b), Cl (4c), F (4d), H (4e), OMe (4f) and NMe2 (4g)) were synthesized and characterized. The ligands were synthesized from their corresponding pyrazoles and sodium tetrahydridoborate and were obtained as solvent adducts of their sodium salts after workup. When the pyrazole with the most electron-withdrawing substituent (R = NO2) is used the asymmetric ligand [HB(3-CF3-5-{4-NO2Ph}pz)2(3-{4-NO2Ph}-5-CF3pz)](-) (4a') is formed as the major product.

N-donor functionalized N-heterocyclic carbene nickel(II) complexes in the Kumada coupling.

The synthesis and characterization of novel nickel(II) complexes bearing two bidentate N-heterocyclic carbene ligands functionalized with anionic N-donor moieties are described. Two different N-donor groups are employed, namely amido and benzimidazolato moieties. The solid-state structures of three of these complexes have been determined by X-ray crystallography.