Effects of physical activity on the deposition of traffic-related particles into the human lungs in silico.

Traffic-related particle emissions have been a great concern over a number of years due to their adverse health effects. In this research project, traffic-related particle deposition in the human lungs is studied using lung deposition estimates based on the ICRP 66 model. This study covers four human groups, i.

Exposure assessment of particulates of diesel and natural gas fuelled buses in silico.

Lung deposition estimates of particulate emissions of diesel and natural gas (CNG) fuelled vehicles were studied by using in silico methodology. Particulate emissions and particulate number size distributions of two Euro 2 petroleum based diesel buses and one Euro 3 gas bus were measured. One of the petroleum based diesel buses used in the study was equipped with an oxidation catalyst on the vehicle (DI-OC) while the second had a partial-DPF catalyst (DI-pDPF).

Parameter and model uncertainty in a life-table model for fine particles (PM2.5): a statistical modeling study.

Background: The estimation of health impacts involves often uncertain input variables and assumptions which have to be incorporated into the model structure. These uncertainties may have significant effects on the results obtained with model, and, thus, on decision making. Fine particles (PM2.

Source-specific fine particles in urban air and respiratory function among adult asthmatics.

Fine and ultrafine particles in ambient air are more consistently associated with severe adverse health effects than coarse particles. We assessed whether the effects of PM(2.5) on peak expiratory flow (PEF) and respiratory symptoms in asthma patients differ by the source or the chemical properties of particles.

Structure-based classification of active and inactive estrogenic compounds by decision tree, LVQ and kNN methods.

The performance of decision tree (DT), learning vector quantization (LVQ), and k-nearest neighbour (kNN) methods classifying active and inactive estrogenic compounds in terms of their structure activity relationship (SAR) was evaluated. A set of 311 compounds was used for construction of the models, the predictive power of which was verified with separate training and test sets. Principal components derived from molecular descriptors calculated with DRAGON software were used as variables representing the structures of the compounds.

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.

Theoretical analysis of the influence of aerosol size distribution and physical activity on particle deposition pattern in human lungs.

Objectives: A theoretical comparison of modeled particle depositions in the human respiratory tract was performed by taking into account different particle number and mass size distributions and physical activity in an urban environment.

Methods: Urban-air data on particulate concentrations in the size range 10 nm-10 microm were used to estimate the hourly average particle number and mass size distribution functions. The functions were then combined with the deposition probability functions obtained from a computerized ICRP 66 deposition model of the International Commission on Radiological Protection to calculate the numbers and masses of particles deposited in five regions of the respiratory tract of a male adult.

Sources of fine particulate matter in personal exposures and residential indoor, residential outdoor and workplace microenvironments in the Helsinki phase of the EXPOLIS study.

Objectives: This study assessed the source contributions to the mass concentrations of fine particles (PM2.5) in personal exposures and in residential indoor, residential outdoor, and workplace indoor microenvironments of the nonsmoking adult population unexposed to environmental tobacco smoke in Helsinki, Finland.

Methods: The elemental composition of 48-hour personal exposure and residential indoor, residential outdoor, and workplace indoor PM2.

Resuspended dust episodes as an urban air-quality problem in subarctic regions.

Objectives: This paper describes the resuspension of road dust in an urban subarctic environment and focuses especially on the effect of wind speed on the formation of resuspended dust episodes.

Methods: The study was conducted in Kuopio, Finland, in the spring of 1995. There were 36 daily measurements of mass concentrations of fine particulate matter (PM2.

Thermophilic aeration of cattle slurry with whey and/or jam wastes.

Thermophilic aeration of cattle slurry and food industrial by-products was studied with the aim to improve hygienic qualities of the slurry so that it could be used as a safe fertiliser for berries to be eaten raw. We also wanted to study if the process would be energetically favourable in an arctic climate. Cattle slurry alone or with whey and/or jam waste was treated.

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.

Spectroscopic QSAR methods and self-organizing molecular field analysis for relating molecular structure and estrogenic activity.

The performance of three "spectroscopic" quantitative structure-activity relationship (QSAR) methods (eigenvalue (EVA), electronic eigenvalue (EEVA), and comparative spectra analysis (CoSA)) for relating molecular structure and estrogenic activity are critically evaluated. The methods were tested with respect to the relative binding affinities (RBA) of a diverse set of 36 estrogens previously examined in detail by the comparative molecular field analysis method. The CoSA method with (13)C chemical shifts appears to provide a predictive QSAR model for this data set.

Perspectives on the formation of polychlorinated dibenzo-p-dioxins and dibenzofurans during municipal solid waste (MSW) incineration and other combustion processes.

The pathways by which polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs) are formed and the interactions between their aromatic precursors, in particular chlorophenols (ClPhs), and transition metal catalysts are discussed. A literature survey and data from pilot-scale combustion experiments allow conclusions to be drawn on the relations between ClPhs and PCDD/Fs in municipal waste incineration and other combustion processes. The results suggest that the ClPh pathway is among the most important for the formation of PCDD/Fs.

NMR and molecular modeling in environmental chemistry: prediction of 13C chemical shifts in selected C10-chloroterpenes employing DFT/GIAO theory.

Accurate predictions of 13C NMR chemical shifts (standard error approximately 1.7 ppm) are achieved for a subset of chlorinated bornanes by empirical scaling of shifts from GIAO calculations with geometries obtained from HF/6-31G* calculations. The optimized molecular geometries were compared with X-ray structures for three of the toxaphene components most frequently detected in environmental samples (Parlar nos.

Photometrically measured continuous personal PM(2.5) exposure: levels and correlation to a gravimetric method.

There is evidence that hourly variations in exposure to airborne particulate matter (PM) may be associated with adverse health effects. Still there are only few published data on short-term levels of personal exposure to PM in community settings. The objectives of the study were to assess hourly and shorter-term variations in personal PM(2.