Consensus kNN QSAR: a versatile method for predicting the estrogenic activity of organic compounds in silico. A comparative study with five estrogen receptors and a large, diverse set of ligands.

Quantitative structure-activity relationships (QSARs) have proved increasingly useful for predicting the biological activities of molecules (e.g., their binding affinities to different receptors) and can be used in environmental chemistry as a preliminary tool for screening the activities of untested molecules, producing valuable information on which compounds should be tested more thoroughly with experimental affinity assays or in animals.

Chemical inhibition of PCDD/F formation in incineration processes.

This review summarises results of our pilot-scale experiments to find suitable inhibitors for preventing the formation of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/F) during waste incineration and to specify the role of the main factors affecting the inhibition process, and is based on doctoral dissertation of Ruokojaärvi (2002). Results of previous experiments reported by other researchers are also presented and compared with ours. The detailed aims of our experiments were (1) to compare the effects of different inhibitors on PCDD/F formation during incineration in a pilot plant, (2) to investigate the role of the particle size distribution of the flue gas on the inhibition of PCDD/Fs, and (3) to find the main parameters affecting PCDD/F inhibition in waste incineration.

Occurrence and destruction of PAHs, PCBs, CIPhs, CIBzs, and PCDD/Fs in ash from gasification of straw.

Two experiments were performed with an atmospheric circulating fluidized bed gasifier (ACFBG), the first with pelletized straw and the second with loose straw, to investigate the occurrence of polycyclic aromatic hydrocarbons (PAHs), chlorophenols (CIPhs), polychlorinated biphenyls (PCBs), polychlorinated benzenes (ClBzs), polychlorinated dibenzo-p-dioxins (PCDDs), and polychlorinated dibenzofurans (PCDFs) in the bottom ash and fly ash formed during gasification. Only PAHs were present in large amounts, and only in the fly ash, ranging from 300 to 555 mg/kg ash in the tests with pelletized straw and from 73 to 118 mg/kg ash in those with loose straw. These amounts are so high that environmentally safe disposal or reuse of the ash would be difficult, so the development of a technique to handle the problem was included in the project.