Synthesis, crystal structure and biological activity of copper(II) complex with 4-nitro-3-pyrazolecarboxylic ligand

The reaction of 4-nitro-3-pyrazolecarboxylic acid and Cu(OAc)2⋅H2O in ethanol resulted in a new coordination compound [Cu2(4-nitro-3- -pzc)2(H2O)6]2H2O (4nitro-3pzc = 4-nitro-3-pyrazolecarboxylate). The compound was investigated by means of single-crystal X-ray diffraction and infrared spectroscopy. The biological activity of the complex was also tested. In the crystal structure of [Cu2(4nitro-3-pzc)2(H2O)6]2H2O, the Cu(II) ion is in a distorted [4+2] octahedral coordination due to the Jan–Teller effect. A survey of the Cambridge Structural Database showed that the octahedral coordination geometry is generally rare for pyrazole-bridged Cu(II) complexes. In the case of Cu(II) complexes with the 3-pyrazolecarboxylato ligands, no complexes with a similar octahedral coordination geometry have been reported. Biological research based on determination of the inhibition effect of the commercial fungicide Cabrio top and the newly synthesized complex on Ph. viticola were performed using the phytosanitary method

Crystal structure of ethyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate, C7H7F3N2O2

C7H7F3N2O2, monoclinic, P21/m (no. 11), a = 6.8088(8) Å, b = 6.7699(9) Å, c = 9.9351(12) Å, β = 105.416(3)°, V = 441.48(9) Å 3 , Z = 2, R gt ( F ) = 0.0398, wR ref ( F 2 ) = 0.1192, T = 200(2) K

Revisiting the Local Scaling Hypothesis in Stably Stratified Atmospheric Boundary Layer Turbulence: an Integration of Field and Laboratory Measurements with Large-eddy Simulations

The `local scaling' hypothesis, first introduced by Nieuwstadt two decades ago, describes the turbulence structure of stable boundary layers in a very succinct way and is an integral part of numerous local closure-based numerical weather prediction models. However, the validity of this hypothesis under very stable conditions is a subject of on-going debate. In this work, we attempt to address this controversial issue by performing extensive analyses of turbulence data from several field campaigns, wind-tunnel experiments and large-eddy simulations. Wide range of stabilities, diverse field conditions and a comprehensive set of turbulence statistics make this study distinct

Large-eddy simulation sensitivities to variations of configuration and forcing parameters in canonical boundary-layer flows for wind energy applications

The sensitivities of idealized large-eddy simulations (LESs) to variations of model configuration and forcing parameters on quantities of interest to wind power applications are examined. Simulated wind speed, turbulent fluxes, spectra and cospectra are assessed in relation to variations in two physical factors, geostrophic wind speed and surface roughness length, and several model configuration choices, including mesh size and grid aspect ratio, turbulence model, and numerical discretization schemes, in three different code bases. Two case studies representing nearly steady neutral and convective atmospheric boundary layer (ABL) flow conditions over nearly flat and homogeneous terrain were used to force and assess idealized LESs, using periodic lateral boundary conditions. Comparison with fast-response velocity measurements at 10 heights within the lowest 100&thinsp;m indicates that most model configurations performed similarly overall, with differences between observed and predicted wind speed generally smaller than measurement variability. Simulations of convective conditions produced turbulence quantities and spectra that matched the observations well, while those of neutral simulations produced good predictions of stress, but smaller than observed magnitudes of turbulence kinetic energy, likely due to tower wakes influencing the measurements. While sensitivities to model configuration choices and variability in forcing can be considerable, idealized LESs are shown to reliably reproduce quantities of interest to wind energy applications within the lower ABL during quasi-ideal, nearly steady neutral and convective conditions over nearly flat and homogeneous terrain.</p

Lessons learned in coupling atmospheric models across scales for onshore and offshore wind energy

The Mesoscale to Microscale Coupling team, part of the U.S. Department of Energy Atmosphere to Electrons (A2e) initiative, has studied various important challenges related to coupling mesoscale models to microscale models for the use case of wind energy development and operation. Several coupling methods and techniques for generating turbulence at the microscale that is subgrid to the mesoscale have been evaluated for a variety of cases. Case studies included flat-terrain, complex-terrain, and offshore environments. Methods were developed to bridge the terra incognita, which scales from about 100 m through the depth of the boundary layer. The team used wind-relevant metrics and archived code, case information, and assessment tools and is making those widely available. Lessons learned and discerned best practices are described in the context of the cases studied for the purpose of enabling further deployment of wind energy.</p