This book covers advanced aspects of practical crystal structure refinement, focusing on practical problems in the everyday life of a crystallographer. After an introduction to SHELXL in the first chapter, the second chapter provides a brief survey of crystal structure refinement. The next few chapters address the various aspects of structure refinement, from the treatment of hydrogen atoms to the assignment of atom types, to disorder, to non-crystallographic symmetry and twinning. One chapter is dedicated to the refinement of macromolecular structures and two shorter chapters deal with structure validation. In most chapters, the book gives refinement examples, based on the program SHELXL, describing every problem in detail.
Dermal exposure, primarily to pesticides, has been measured for almost half a century. Compared with exposure by inhalation, limited progress has been made towards standardisation of methods of measurement and development of biologically relevant exposure measures. It is suggested that the absence of a consistent terminology and a theoretical model has been an important cause of this lack of progress. Therefore, a consistent terminology based on a multicompartment model for assessment of dermal exposure is proposed that describes the transport of contaminant mass from the source of the hazardous substance to the surface of the skin. Six compartments and two barriers together with eight mass transport processes are described. With the model structure, examples are given of what some existing methods actually measure and where there are limited, or no, methods for measuring the relevant mass in a compartment or transport of mass. The importance of measuring the concentration of contaminant and not mass per area in the skin contaminant layer is stressed, as it is the concentration diVerence between the skin contamination layer and the perfused tissue that drives uptake. Methods for measuring uptake are currently not available. Measurement of mass, concentration, and the transport processes must be based on a theoretical model. Standardisation of methods of measurement of dermal exposure is strongly recommended. (Occup Environ Med 1999;56:765-773)
Background. In the Danish Town Hall Study" it has previously been shown that the sick building syndrome is a widespread phenomenon. This has given rise to speculations as to whether biologically active components in dust or whether absorbed organic gases and vapours in the indoor climate may be partly responsible for the sick building syndrome. Therefore, we wished to study whether qualitative conditions in dust, of a physical, chemical, and biological nature, are related to the prevalence of symptoms of the sick building syndrome. Material and methods. The study included 12 town halls in the Copenhagen area. A total of 870 persons participated, 584 women and 286 men. All the participants filled out a questionnaire regarding health and working conditions, and dust samples were collected with a special vacuum cleaner in the working environment of the participants, after which the contents of inorganic and organic particles as well as of human source fragments the (hair, nails, skin) and various fibres were determined. Results. There was a significant correlation (P<0.05) between the prevalence of gram‐negative bacteria in the indoor climate dust, and general symptoms (fatigue, heavy‐headedness, headache, dizziness, concentration problems) (corr.coeff.=0.73), as well as symptoms from the mucous membranes of the upper respiratory tract (corr.coeff.=0.76). Also, there was a significant relation between the prevalence of particles in the dust and the prevalence of symptoms from the mucous membranes (corr.coeff.=0.81). There was a strong and significant correlation between the total amount of volatile organic components (TVOC) and lack of concentration (corr.coeff. =0.85) and feeling heavy‐headed (corr.coeff.=0.72). Macromolecular dust (potentially allergenetic material) was significantly correlated to the prevalence of headache and general malaise/dizziness (corr.coeff.=0.66), while the ability of the dust to liberate histamine was significantly related to the prevalence of general malaise, dizziness (corr.coeff.=0.65) and lack of concentration (corr.coeff. =0.58). Further analyses including a number of potential confounders did not change the results of the above analyses. Conclusion. The results of this study support the hypothesis that qualitative properties of dust are important to the sick building syndrome. The study was based on relatively few buildings, but nevertheless strong correlations were found. In perspective, epidemiological intervention studies should be carried out to investigate whether minimizing the amount of both dust and bacteria in the indoor climate affect the prevalence of sick building syndrome.
The release and transport of fungal spores from water-damaged building materials is a key factor for understanding the exposure to particles of fungal origin as a possible cause of adverse health effects associated to growth of fungi indoors. In this study, the release of spores from nine species of typical indoor fungi has been measured under controlled conditions. The fungi were cultivated for a period of 4-6 weeks on sterilized wet wallpapered gypsum boards at a relative humidity (RH) of approximately 97%. A specially designed small chamber (P-FLEC) was placed on the gypsum board. The release of fungal spores was induced by well-defined jets of air impacting from rotating nozzles. The spores and other particles released from the surface were transported by the air flowing from the chamber through a top outlet to a particle counter and sizer. For two of the fungi (Penicillium chrysogenum and Trichoderma harzianum), the number of spores produced on the gypsum board and subsequently released was quantified. Also the relationship between air velocities from 0.3 to 3 m/s over the surface and spore release has been measured. The method was found to give very reproducible results for each fungal isolate, whereas the spore release is very different for different fungi under identical conditions. Also, the relationship between air velocity and spore release depends on the fungus. For some fungi a significant number of particles smaller than the spore size were released. The method applied in the study may also be useful for field studies and for generation of spores for exposure studies.
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