ABSTRACT: Oil spill pollution has a substantial role in damaging the marine ecosystem. Oil spill that floats on top of water, as well as decreasing the fauna populations, affects the food chain in the ecosystem. In fact, oil spill is reducing the sunlight penetrates the water, limiting the photosynthesis of marine plants and phytoplankton. Moreover, marine mammals for instance, disclosed to oil...

While neurocognitive data provide clear evidence for the involvement of the motor system in speech perception, its precise role and the way motor information is involved in perceptual decision remain unclear. In this paper, we discuss some recent experimental results in light of COSMO, a Bayesian perceptuo-motor model of speech communication. COSMO enables us to model both speech perception and...

Interactions of nerve G-agents (sarin and soman) and their simulants DMMP (dimethyl methylphosphonate) and DIFP (diisopropyl fluorophosphate) with water and components of polyelectrolyte membranes are studied using ab initio calculations in conjunction with thermodynamic modeling using the conductor-like screening model for real solvents (COSMO-RS). To test reliability of COSMO-RS calculations,...

The aqueous solubility of hexafluorobenzene has been determined, at 298.15K, using a shake-flask method with a spectrophotometric quantification technique. Furthermore, the solubility of hexafluorobenzene in saline aqueous solutions, at distinct salt concentrations, has been measured. Both salting-in and salting-out effects were observed and found to be dependent on the nature of the cationic/a...

Previous DFT in vacuo studies on the conformational preferences for cellobiose showed that upon optimization the φ(H)-anti conformations were of lower energy than the syn forms. Upon optimization using an implicit solvation method, COSMO, the syn or observed form was still not predicted to be of lower energy than the φ(H)-anti form, even though optimization after addition of several explicit wa...

We present a new implementation of continuum solvation models for semiempirical Hamiltonians that allows the description of environmental effects on very large molecular systems. In this approach based on a domain decomposition strategy of the COSMO model (ddCOSMO), the solution to the COSMO equations is no longer the computational bottleneck but becomes a negligible part of the overall computa...

The objective of this paper is to report on the crop classification activities carried out during the first year of the Italian project “Use of COSMO-SkyMed data for LANDcover classification and surface parameters retrieval over agricultural sites” (COSMOLAND), funded by the Italian Space Agency. The project intends to contribute to the COSMO-SkyMed mission objectives in the agriculture and hyd...

Three detailed meteorological case studies are conducted with the global and regional atmospheric chemistry model system ECHAM5/MESSy(→COSMO/MESSy), shortly named MECO(n). The aim of this article is to assess the general performance of the on-line coupling of the regional model COSMO to the global model ECHAM5. The cases are characterised by intense weather systems in Central Europe: a cold fro...

The solubilities of ibuprofen and diazepam in water/ethanol binary solutions were predicted using COSMO-RS and UNIFAC. In case of the ibuprofen system, RMSE was 0.183, and COSMO-RS reproduced the experimental values well. The RMSE of UNIFAC was 0.628, and the solubilities predicted by UNIFAC were smaller than experimental values. Polarizabilities of several drugs in vacuum, water, and ethanol w...