The user can choose to make his/her simulation results (i.e., affinities, 3D binding modes, toxic potentials) selectively visible to other users of the platform, thus facilitating the dissemination AC220 cell line of in silico toxicological results of general interest. Emerging results and news on the technology are

continuously posted on http://www.virtualtoxlab.org. The Open VirtualToxLab is freely accessible to universities, governmental or regulatory bodies, and non-profit organizations. On-line registration (and 3D viewer libraries) are available at http://www.biograf.ch/data/projects/OpenVirtualToxLab.php. The authors declare that there are no conflicts of interest. Transparency Document. The underlying research had been made possible by grants of the Swiss National Science Foundation(#05321-135678), and the Jacques HER2 inhibitor en Dolly Gazan Foundation, Zug/Switzerland, which are both gratefully acknowledged. “
“On Saturday, May 4, 2013, around 2 AM, a freight train transporting chemicals derailed in the village of Wetteren (East-Flanders, Belgium). Several rail tank cars containing in total 60 t of acrylonitrile (ACN) exploded and immediately a fire developed. In addition to the formation

of toxic vapours of ACN, other toxic gases such as hydrogen cyanide and nitrogen oxides were released due to the fire-induced decomposition of ACN. The water used to extinguish the fire drained into the sewers, resulting in a further distribution of ACN and by-products of the combustion via the sewers. One resident died, one resident experienced cardiac arrest but was successfully resuscitated,

one resident developed deep coma, around Galeterone two hundred residents were hospitalized, and more than 2000 residents were evacuated. The provincial phase of the disaster plan was proclaimed. The evacuation period varied from three days for the first residents that were allowed to go home until almost three weeks for the residents living close to the accident site. ACN (C3H3N) is a volatile, flammable, water-soluble, colourless liquid used as an intermediate in the manufacturing of acrylic fibers, styrene plastics and adhesives. It has a garlic or onion-like odour (European Commission, 2004) and its vapours are heavier than air and may thus travel along the ground over a long distance. The toxicodynamics of ACN have been extensively reviewed elsewhere (Agency for Toxic Substances and Disease Registry, 1990, European Commission, 2004 and DFG, 2007). Signs of acute toxicity include respiratory tract irritation and central nervous system dysfunction, resembling cyanide poisoning, which may lead to loss of consciousness or even death. With respect to chronic toxicity, there is sufficient evidence in experimental animals for the carcinogenicity of ACN. IARC (1999) considered that there is inadequate evidence in humans for the carcinogenicity of ACN and therefore the substance has been categorized as possibly carcinogenic to humans (Group 2B).