Acrylamide is formed in heat processing of many common foods. According to animal cancer tests acrylamide is a carcinogen. To estimate the cancer risk from exposure via food, the response at high doses in the cancer tests with rats has to be extrapolated to the exposure levels in humans. Acrylamide is biotransformed to the epoxide glycidamide, which is assumed to be the cancer-risk increasing agent. Therefore in vivo doses of both acrylamide and glycidamide should be measured in rats and humans and related to the acrylamide intake. In vivo doses (area under the time-concentration curve, AUC) of reactive compounds can be determined from measured reaction products, adducts, to hemoglobin (Hb). A study in mice showed that the food matrix does not have an influence on the absorbed amount of acrylamide from food. There was a linear dose-response of Hb-adduct levels from acrylamide and glycidamide. For cancer risk assessment it is important to describe variations between individuals in intake and in AUC. Hb-adduct levels of acrylamide and glycidamide were studied in two large groups. In non-smokers the acrylamide and glycidamide-adduct levels varied with a factor of 5 and 8, respectively. The influence of other compounds in the diet on metabolic formation/elimination of glycidamide was demonstrated by associations between the ratio of glycidamide-to-acrylamide-adduct levels and alcohol intake. Furthermore, a non-linearity between glycidamide and acrylamide-adduct levels was shown at low exposure levels. AUCs from acrylamide and glycidamide in rats exposed as in the cancer tests were measured and compared with AUCs in humans exposed to acrylamide through food. The AUC of glycidamide per given dose of acrylamide was somewhat higher in humans than in the rats. Altogether the generated data could be used to improve the cancer risk estimate of acrylamide in food. The obtained data strengthen earlier preliminary cancer risk estimates of acrylamide. / At the time of the doctoral defense, the following papers were unpublished and had a status as follows: Paper 4: Manuscript. Paper 5: Manuscript.

In countries located in tropical zones, a critical task in drinking water plants is the removal of the natural organic matter (NOM), particularly during the rainy season when a lot of organic matter is transported by run-off into the water bodies. It provokes overloaded in the plants and they have often needed to be shut down. In the dry season, the NOM removal is also difficult due to its low concentration, and greater coagulant dosages are needed to destabilize the negative charge of the NOM. In order to increase the NOM removal, synthetic polymers based on acrylamide are sometimes used as coagulant aids. However, they have been associated with Alzheimerand are carcinogenic. Therefore, the present requirement is to find new treatments affordable for the conditions existing in tropical countries. The application of green compounds has become a responsibility to guarantee the health of the population. The situation in Nicaragua is similar to that in many tropical countries. At present, there are ten drinking water plants which use conventional treatment. Nine of them use surface water supplied by rivers, and one uses water from a lake. Many of these plants have problems of continuity, quantity, water quality, and coverage, although the water cost is low. The removal of natural organic matter by conventional or enhanced coagulation using aluminium sulphate or chitosan as coagulant while reducing the formation of trihalomethanes (THM) was the aim of this work. Chitosan is an environment-friendly compound that can act as coagulant, flocculant and adsorbent. Adsorption with activated carbon and chitosan has also been studied. The natural organic matter in the source waters was fractionated in order to determine which fractions are removed more easily by coagulation and which are recalcitrant. The experimental works was carried out with a period of sampling between 2003 and 2010, taking into consideration the dry and rainy seasons. The results show that conventional coagulation with aluminium sulphate is not sufficient to reduce the presenceof NOM sufficiently to avoid a high level of THM in the disinfection step. The NOM removal is greatly improved by treatment with enhanced coagulation, but a significant amount of NOM is not removed, with a high THM concentration as a consequence. High NOM removal can however be achieved by enhanced coagulation and subsequent adsorption with granular activated carbon. Chitosan has good properties as a coagulant in water with a high NOM content and performs well as flocculant. It also has a high adsorption capacity for NOM. Therefore, chitosan could be a good option as a substitute for aluminium sulphate compounds. However, since chitosan does not work properly in the dry season, when the NOM content is low, the use of aluminium sulphate in combination with chitosan should bestudied in more detail. A field with a large potential is the modification of the chitosan structure to increase its capacity for NOM removal and decrease the need for aluminium sulphate. Another advantage of using chitosan is the reduction of the negative impact of shrimp and squat lobster shells on the environment. / QC 20110215

In order to assess the risks that are associated with a deep repository of nuclear waste, it is important to know how different radionuclides behave in different environments. Since some of the most critical radionuclides in nuclear waste such as Ra-226 occur naturally in the environment, it is possible to study their behaviour directly. Peat lands are thought to be one of the most critical ecosystems due to their capability of accumulating large amounts of radioactivity and the possible exposure pathways to man. Klarebäcksmossen is a peat land situated close to the nuclear power plant in Oskarshamn, which is one of two areas in Sweden where site investigations for a future deep repository are being conducted. In this study a complete peat-gyttja-clay profile from Klarebäcksmossen has been analysed for a large number of both natural and artificial radionuclides using gamma spectrometry. The degree of isotopic disequilibrium between different nuclides in the uranium-thorium series has been used to assess radionuclide migration and accumulation throughout the core. The measurements indicate that uranium has been accumulated in the gyttja, but mobilised from the clay. Radium, on the other hand, has been leached from the gyttja layers, and the strikingly low Ra-226/Pb-210 ratios show that it might have been very recently. Alternatively, there is a very extensive migration of Rn-222. In the peat low levels of radioactivity were found for most radionuclides, but with clear differences between minerotrophic and ombrotrophic peat. This may indicate that the uptake of radionuclides by peat mainly is passive. The accumulation rate for the peat has also been determined using Pb-210 dating.

The intensified use of materials, products and goods in our time involves massive consumption of metals and organic compounds that can be released from society to the environment in the various stages of production, use and waste. Depending on the circumstances this may give rise to environmental risks, as metals in general and certain organic substances may be toxic in the short or long term. So where have those metals and organic substances been utilized? In which products or environments? Substance flow analysis (SFA) is a method to deal with these issues. The results from the analysis are quantifications of flows and stocks in a systematic way and within defined system boundaries.In this thesis four main research areas are identified, which need to be addressed. i) Application of SFA on substances that have not been studied in this respect before, which can give knowledge about flows and stocks related to consumption of goods.  ii) Development of SFA to meet the needs in studies of trends for the substance cycles and studies of quantification of potential changes. iii) Assessment of which different agents and actions that induce the changes, such as chemical regulations, environmental objectives and aims. To what extent can these changes be related to substance flows? iv) Finally to assess, how can SFA be useful in environmental decisions? The specified aims focus on the metals antimony (Sb), cadmium (Cd), lead (Pb) and mercury (Hg) and the group of organic compounds alkylphenol/alkylphenol ethoxylates (AP/APEO), in urban environments, exemplified with case studies of Stockholm, the capital of Sweden.This thesis is a result of five studies. Three were based mainly on the methodology of SFA (Paper I-III). It has also been important to develop the chemical analysis of metals in goods where there has been a lack of information (Paper IV). Furthermore, assessment of policy questions and chemical regulations involve qualitative approaches and discussions (Paper I and V).The results show urban flows and stocks of the metals Cd, Hg, Pb and Sb and the group of organic substances AP/APEO. The results confirm that goods are important for the release of the substances studied. For Sb, emissions from brake linings (96%) dominate, but there are small emissions from textiles, potential emissions from flame retarded goods and probably small point sources. For AP/APEO the textile emissions were previously underestimated and the SFA presented here included this and pose textiles and cleaning agents as major emission source to wastewater.To repeat studies and to compare results from different years was a development of the SFA-method, which showed that Cd and Hg are being phased out as the inflow and stocks show diminished amounts, whereas the emissions remain approximately constant when comparing 1995 with 2002/2003. For Pb it is possible to talk about a phase-out of some specific goods, but not in general for inflow and stock.The changes in urban metabolism could be related to environmental decisions, e.g. effects of local initiatives and in some cases voluntary initiatives, but also as result of prevailing chemicals regulation. The utility of SFAs for decision makers may be related to methodological issues, such as the accounting approach. However, the utility was also found to depend on the structure of the monitoring, that is screening in the environment and concentration in wastewaters and sewage sludge precede the source mapping conducted with SFA. Substance Flow Analysis will likely continue to serve as the broad information tool for one substance at a time, which will offer source characterization of diffuse emissions in urban environments.

The assement of chemical persistence is an important part of legislative protection of the environment and human health. Of the vast number of chemicals on the market today few have been properly assessed. The coordination between testing guidelines from different frameworks is limited and especially the methods for determination of biodegradation show poor reproducibility because of their highly complex nature. In order to circumvent the multifactorial assessment methods that involve the use of e.g. soils and sediments an attempt to create a new approach to chemicals assessment was postulated by Green and Bergman in 2005. This approach puts the focus on testing the chemical reactivity of the compound in environmentally relevant transformation/degradation reactions, i.e. reduction, oxidation, hydrolysis-substitution-elimination (hse), radical reactions, and photolysis. These tests are to be performed in controlled abiotic laboratory experiments ensuring that the results reflect the transformation rate of the intended type of reaction for the investigated substance. To achieve an assessment of the presistence of the compound, the test results are then combined with data on physicochemical properties of the compound and a mathematic matrix describing the reactive power of the different types of reactions in each environmental compartment (air, water, soil, and sediment). Thus far methods for testing of oxidation, photolysis, and hydrolysis-substitution-elimination reactions have been developed. Within this thesis a method for determining reduction was developed and further utilised to determine transformation products from reductive debromination of the three nonabrominated diphenyl ethers. The previously established method for hse was evaluated and further developed in a study of selected chlorobenzenes. Some novel brominated flame retardants were investigated using the previously developed photolysis method, and transformation products and quantum yields were determined. All of the papers presented within this thesis intend to build on the project of a new persistency assessment model. The results presented also contributes important information on the properties and transformation of some common organohalogen pollutants. / At the time of the doctoral defense, the following papers were unpublished and had a status as follows: Paper 1: Submitted. Paper 4: Manuscript.

<h2>Abstract</h2><p> </p><p>Bio energy in form of woodchips and sawdust is today commonly stored outdoors in heaps on hardened surfaces, exposed to weather and wind. Any water leaching from these heaps have the potential to be toxic to the environment.</p><p>This paper examines the quality of the water leaching from heaps of four different tree species (oak, pine, maple and beech), by analysing different parameters such as pH, conductivity, colour, COD, BOD₇, tannins & lignins (T&L) and phenols.</p><p>The results show significant higher leaching values of COD, phenols, T&L and colour from oak compared to the other tree species (pine, maple and beech). These leached substances from woodchips and sawdust were shown in the BOD₇ tests and BOD₇/COD ratio values to be hard to biodegrade and are therefore not easily removed from the water.</p><p>Hence it is important that wood-based fuel storage conditions are considered in bio energy generation schemes to ensure that the environmental benefits of using woodchips and sawdust instead of traditional fuel are not offset by the potential harm of inappropriate storage.</p><p>The investigation further showed that leaching of highly toxic substances such as phenols can be up to 10 times higher for one tree type (oak) than another (pine, beech and maple). This difference could potentially be found for other tree species not characterized in this study.  Therefore, it is important to consider the constitution of the heaps to be able to apply appropriate storage conditions to avoid these toxic substances in the leached water reaching sensitive watercourses. As some of these substances are hard to biodegrade the treatment applied need a long retention time.</p><p>Another problem is the carbon: nutrient ratio, this water has a high carbon content compared to phosphorus and nitrogen content which might prevent an efficient biodegradation. Adjusting C:N:P ratio with low cost amendments might raise the performance of the biodegradation in for instance, a constructed wetland.</p>

<p>In the next few years the pollutants loading at the Slottshagen wastewater treatment plant in Norrköping is going to increase due to the reason that one of the waste water treatment plant in the district will be shut down.A survey of how these different pollutants are divided in the treatment process is therefore necessary for mapping out both the loading and treatment efficiency.This can be achieved by studying mass balances.Mass balances were carried out for the water treatment process for the mechanical/chemical,biological and the chemical stage.The mass balance studies show that the treatment efficiency was very good. However in order for the mass balances to be quite consistent and to ensure complete coverage of results and conclusions i.e. more reliable results, sludge samples should be collected and taken at different times per day and the influent rate should be investigated.In this work mass balance has been set up in order to illustrate and identify the factors that should be considered and taken care of for further estimation using mass balances in the future. Furthermore this survey results in a calculating model for the mass balances at thisplant.This calculating model is used as a tool to facilitate future calculations for mass balances for the water treatment process at Slottshagens wastewater treatment plant.Moreover it provides a basis for carrying out further estimation of the treatment process in the near future.In this project the importance of some operating parameters was also taken in consideration.This calculating model can be modified so that calculations of such operating parameters i.e. sludge loading and sludge age can be easily performed.Such information can be used further to evaluate different operation alternative in order to ensure an optimal use of the treatment process with in the plant.</p> / The model developed by this work is found in the attachment below.

In the next few years the pollutants loading at the Slottshagen wastewater treatment plant in Norrköping is going to increase due to the reason that one of the waste water treatment plant in the district will be shut down.A survey of how these different pollutants are divided in the treatment process is therefore necessary for mapping out both the loading and treatment efficiency.This can be achieved by studying mass balances.Mass balances were carried out for the water treatment process for the mechanical/chemical,biological and the chemical stage.The mass balance studies show that the treatment efficiency was very good. However in order for the mass balances to be quite consistent and to ensure complete coverage of results and conclusions i.e. more reliable results, sludge samples should be collected and taken at different times per day and the influent rate should be investigated.In this work mass balance has been set up in order to illustrate and identify the factors that should be considered and taken care of for further estimation using mass balances in the future. Furthermore this survey results in a calculating model for the mass balances at thisplant.This calculating model is used as a tool to facilitate future calculations for mass balances for the water treatment process at Slottshagens wastewater treatment plant.Moreover it provides a basis for carrying out further estimation of the treatment process in the near future.In this project the importance of some operating parameters was also taken in consideration.This calculating model can be modified so that calculations of such operating parameters i.e. sludge loading and sludge age can be easily performed.Such information can be used further to evaluate different operation alternative in order to ensure an optimal use of the treatment process with in the plant. / The model developed by this work is found in the attachment below.

This thesis focuses on the development of quantitative structure-activity relationship (QSPR) models for physicochemical properties, e.g., vapor pressure and partitioning coefficients. Such models can be used to estimate environmental distribution and transformation of the pollutants or to characterize solvents properties. Here, chemoinformatics was used as an efficient tool for modeling to produce safe chemicals based on green chemistry principles. Experimental determinations are only available for a limited number of the chemicals; however, theoretical molecular descriptors can be used for modeling of all organic compounds. In this thesis, we developed and validated a global and local QSPR model for vapor pressure of liquid and subcooled liquid organic compounds, in which perfluorinated compounds (PFCs) as outliers appeared in the model due to their molecular properties. Subsequently, after the update of the previous model, the vapor pressure of perfluorinated compounds (PFCs) for which no reliable experimental data are available was successfully predicted. At the same time, we used partitioning between n-octanol/water (Kow) and water solubility (Sw) to investigate the similarities and differences between linear solvation energy relationship (LSER) and partial least square projection to latent structures (PLS) models. Further, we developed QSPR model for prediction of melting points and boiling points of PFCs using multiple linear regression (MLR), PLS and associative neural networks (ASNN) approaches, meanwhile, the applicability domain of PFCs was also investigated. Experimental, semi-empirical and theoretical quantitative structure-retention relationship (QSRR) models were used to accurately predict retention factors (logk) in reversed-phase liquid chromatography (RPLC). These models are useful to characterize solvents for determination of the behavior and interactions of molecular structure and develop chromatographic methods. In both of QSPR and QSRR models using the PLS method, the first and second components captured main information which is related to van der Waals forces and polar interactions, and their results coincide with those from LSER. The results showed that the models of physicochemical properties and retention factors (logk) in chromatographic system can be successfully developed by the PLS method. PLS models were able to predict physicochemical properties of organic compounds directly from theoretical descriptors without prior synthesis, measurement or sampling. Further, the PLS method could overcome colinearity in data sets, and it is therefore a rapid, cheap and highly efficient approach

This thesis is concerned with measurements of persistent organic pollutants (POPs) in environmental samples. The POPs consist of several groups of compound with many isomers, hence analysing POPs in a complex environment is a This thesis is concerned with measurements of persistent organic pollutants (POPs) in environmental samples. The POPs consist of several groups of compound with many isomers, hence analysing POPs in a complex environment is a challenging task. Studies of the abundance or dynamics of such substances in the environment require careful consideration of several key steps. The environmental and analytical problems must be correctly defined, suitable analytes, sampling strategies and techniques must be selected, the chemical analyses must be reproducible and accurate, and the data evaluation protocols must be rigorous and appropriate. The aim of this thesis was to evaluate the use of pollutant profiles in order to assess complex patterns of environmental exposure. When combined with multivariate data analysis (MVDA) a maximum of information may be extracted from analytical data. Nevertheless, good quality data is essential for correct evaluation of the environmental phenomena under investigation. The precision and accuracy of a solid phase assisted liquid extraction method was therefore assessed by comparison to a reference method. The validated method was used in two human exposure studies. The concentrations of PCBs and dioxins were determined in human tissues from general populations in Sweden and Spain. Although it was concluded that the populations were exposed to similar degree to PCBs and dioxins, principal component analysis (PCA) showed that the compound profiles differed between the populations. PCA was also used to differentiate between occupationally exposed workers and matched controls and between exposed workers with recent and earlier exposure. In addition, the analysis indicated that the differences in PCB patterns in workers with recent and earlier exposure were related to differences in the metabolic degradation rates of individual PCBs. The PCA model was further used to select PCB congeners that were representative of each group. Finally, the emission of polycyclic aromatic hydrocarbons (PAHs) in a traffic tunnel was estimated by measuring 29 individual PAHs. The sampling periods were chosen to reflect a maximum variation in the traffic composition. An excellent prediction of the percentage of heavy-duty vehicles was obtained using partial least squares (PLS) regression. It was shown by PCA that it might be possible to predict source compositions at other locations with the aid of multivariate statistical tools. Thus, properly gathered pollutant profiles and MVDA may be combined to extract a large amount of significant information from environmental source and exposure data.