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  • 1.
    Ahlkvist, Johan
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Formic and Levulinic Acid from Cellulose via Heterogeneous Catalysis2014Doctoral thesis, comprehensive summary (Other academic)
    Abstract [en]

    The chemical industry of today is under increased pressure to develop novel green materials, bio-fuels as well as sustainable chemicals for the chemical industry. Indeed, the endeavour is to move towards more eco-friendly cost efficient production processes and technologies and chemical transformation of renewables has a central role considering the future sustainable supply of chemicals and energy needed for societies. In the Nordic countries, the importance of pulping and paper industry has been particularly pronounced and the declining European demand on these products as a result of our digitalizing world has forced the industry to look at alternative sources of revenue and profitability. In this thesis, the production of levulinic and formic acid from biomass and macromolecules has been studied. Further, the optimum reaction conditions as well as the influence of the catalyst and biomass type were also discussed.

    Nordic sulphite and sulphate (Kraft) cellulose originating from two Nordic pulp mills were used as raw materials in the catalytic synthesis of green platform chemicals, levulinic and formic acids, respectively. The catalyst of choice used in this study was a macro-porous, cationic ion-exchange resin, Amberlyst 70, for which the optimal reaction conditions leading to best yields were determined. Cellulose from Nordic pulp mills were used as raw materials in the catalytic one-pot synthesis of ‘green’ levulinic and formic acid. The kinetic experiments were performed in a temperature range of 150–200 °C and an initial substrate concentration regime ranging from 0.7 to 6.0 wt %. It was concluded that the most important parameters in the one-pot hydrolysis of biomass were the reaction temperature, initial reactant concentration, acid type as well as the raw material applied. The reaction route includes dehydration of glucose to hydroxymethylfurfural as well as its further rehydration to formic and levulinic acids. The theoretical maximum yield can hardly be obtained due to formation of humins. For this system, maximum yields of 59 mol % and 68 mol % were obtained for formic and levulinic acid, respectively. The maximum yields were separately obtained in a straight-forward conversion system only containing cellulose, water and the heterogeneous catalyst. These yields were achieved at a reaction temperature of 180 °C and an initial cellulose intake of 0.7 wt % and belong to the upper range for solid catalysts so far presented in the literature.

    The reaction network of the various chemical species involved was investigated and a simple mechanistic approach involving first order reaction kinetics was developed. The concept introduces a one-pot procedure providing a feasible route to green platform chemicals obtained via conversion of coniferous soft wood pulp to levulinic and formic acids, respectively. The model was able to describe the behaviour of the system in a satisfactory manner (degree of explanation 97.8 %). Since the solid catalyst proved to exhibit good mechanical strength under the experimental conditions applied here and a one-pot procedure providing a route to green platform chemicals was developed. A simplified reaction network of the various chemical species involved was investigated and a mechanistic approach involving first order reaction kinetics was developed.

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    Formic and Levulinic Acid from Cellulose via Heterogeneous Catalysis
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  • 2.
    Ahlkvist, Johan
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Ajaikumar, Samikannu
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Larsson, William
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Mikkola, Jyri-Pekka
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    One-pot catalytic conversion of Nordic pulp media into green platform chemicals2013In: Applied Catalysis A: General, ISSN 0926-860X, E-ISSN 1873-3875, Vol. 454, p. 21-29Article in journal (Refereed)
    Abstract [en]

    In this paper, both sulphite and sulphate (Kraft) cellulose from Nordic pulp mills were used as raw materials in the catalytic one-pot synthesis of green platform chemicals, levulinic and formic acids, respectively. The catalyst of choice was a macro-porous, cationic ion-exchange resin, Amberlyst 70. The optimal reaction conditions were determined and the influence of various gas atmospheres was investigated. The maximum yields of 53% formic acid and 57% of levulinic acid were separately obtained in a straight-forward conversion system only containing cellulose, water and the heterogeneous catalyst. The concept introduces a one-pot procedure providing a feasible route to green platform chemicals obtained via conversion of coniferous soft wood pulp to levulinic and formic acids, respectively.

  • 3.
    Albán Reyes, Diana Carolina
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Eliasson, Bertil
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Karlsson, Leif
    AkzoNobel.
    de Wit, Paul
    AkzoNobel.
    Svedberg, Anna
    MoRe Research.
    Sundman, Ola
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Activation of dissolving celluloses pulp for viscose and cellulose ether production2016In: The 7th workshop on cellulose, regenerated cellulose and cellulose derivatives / [ed] Ola Sundman, Umeå ; Karlstad: Umeå university ; Karlstad university , 2016, p. 29-30Conference paper (Other academic)
    Abstract [en]

    Mercerisation of cellulose by alkali treatment is the most common procedure used to activate natural cellulose fibres into many commercial cellulosic materials. During mercerisation, the NaOH solution enters the cellulose fibres, transforming them into a swollen and a highly reactive material called alkali cellulose (Na-Cell). In case NaOH is completely washed out of the cellulose structure, Na-Cell turns into Cellulose II upon drying.

    Traditionally the cellulose is mercerised by suspending it in a 15-20 % NaOH solution. The result is a high (15-25 mol/mol) NaOH: Anhydroglucose  molar ratio (r) and mercerisation in these conditions have been extensively studied. However, in modern production of cellulose ethers, the mercerisation conditions are often very different. The main reason is that any excess of water and OH--ions used during the mercerisation can later react with different chemicals in the process, thus forming unwanted by-products e.g. methanol. One way to avoid this kind of side reaction is by using low-water-content mercerisation conditions, i.e. low (r) = 0.8-1.8 mol/mol and high NaOH concentration (45-55% w/w). The traditional mercerisation is a suspension process while the cellulose during the latter process, i.e low-water-content mercerisation conditions, remains quite “dry”. Thus, although the chemical reaction principles of activation of cellulose for both viscose and cellulose ethers processes are the same, the activation conditions used are often very different. Therefore, the different dependencies of process parameters as well as any similarities between the processes are interesting.

    The presentation summarises the findings presented in two papers which described the influence of the different parameters on the mercerisation/activation of softwood Sulphite dissolving pulp in viscose production conditions (Albán Reyes et al. 2016) and cellulose derivatives production conditions (Albán Reyes et al.) respectively. In the individual studies this has been done by analysing the degree of transformation (DoT) of dissolving pulp to Na-cellulose (or more correctly cellulose II after washing and upon drying) as a function of simultaneous variation of [NaOH], temperature, and reaction time varied using design of experiment. Also the (r) was varied for samples mercerised at dry conditions. A combination of Raman imaging and multivariate data analysis have been used to study the DoT to Cellulose II.

    It was found that the mercerisation under the different conditions was dependent on different parameters. For traditional mercerisation, on the one hand, the temperature was shown to be important for the DoT and showed negative correlation with the data, while [NaOH] showed a positive correlation. On the other hand, at low-water-content mercerisation conditions the (r) was overall most important while the temperature showed no statistical importance in a Partial least squares analysis. Traditional mercerisation gave much higher DoT than the low-water-content mercerisation. Thus,  the data for low-water-content mercerisation was further examined at the different (r). The same chemistry is always expected and the different influences of the parameters seen is understood and discussed in terms of the different physical reaction mechanisms.  

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  • 4.
    Albán Reyes, Diana Carolina
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Stridh, Kjell
    AkzoNobel, Stenungsund, Sverige.
    de Wit, Paul P.
    AkzoNobel, Arnhem, The Netherlands.
    Sundman, Ola
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Is there a diffusion of alkali in the activation of dissolving cellulose pulp at low NAOH stoichiometric excess?2019In: Cellulose, ISSN 0969-0239, E-ISSN 1572-882X, Vol. 26, no 2, p. 1297-1308Article in journal (Refereed)
    Abstract [en]

    We conducted a quantitative study, following the degree of activation (i.e. the transformation to alkali cellulose, denoted as DoA) over time for dissolving cellulose pulp treated with different [NaOH] at low NaOH/anhydroglucose unit stoichiometric ratio (denoted as (r) ≤ 2.6). Our quantitative approach was based on Raman spectroscopy data, evaluated by partial least squares regression modelling. The results show strong influence of the (r) on DoA (increasing from DoA= 45% at (r) = 0.8, to DoA = 85% at (r) = 2.6), and its complex dependence on [NaOH]. At (r) = 0.8 the highest DoA (DoA ≳ 60%) was found at 30% [NaOH], while at (r) =1.3 it was found at 20% [NaOH] (DoA ≳ 80%). Although activation of cellulose happens in minutes at the studied temperature (30 °C), it was found that the reaction may be slow when a low (r) is used. A gradual increase of the DoA from ≈ 30% to ≈ 70% in time was seen when samples were activated with 30% [NaOH] at (r) = 0.8. At the same (r), a similar increase of DoA from ≈ 30 % to ≈ 60 % was also observed when 40% [NaOH] was used. Slow diffusion of NaOH through poorly swollen cellulose fibres is proposed as an explanation for this phenomenon. Lastly, solid-state CP/MAS NMR measurements suggest that at a fixed temperature, the Na-Cell allomorph mostly depends on [NaOH]. However, in the transition area between Na-Cell I and Na-Cell II, its influence might be affected by (r). 

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  • 5.
    Albán Reyes, Diana Carolina
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Sundman, Ola
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Schröder, Ulf
    AkzoNobel.
    Karlsson, Leif
    AkzoNobel.
    de Wit, Paul
    AkzoNobel.
    Eliasson, Bertil
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Activation of dissolving cellulose pulp at low water content2015In: 4th EPNOE International Polysaccharide Conference: Polysaccharides and polysaccharide-based advance materials: from science to industry, 2015Conference paper (Other academic)
    Abstract [en]

    Mercerisation of cellulose by alkali treatment is the first step in modifying natural cellulose fibres into many commercial cellulosic materials. During treatment, the fiber transforms into a reactive and highly swollen material called alkali cellulose (Na-Cell). In case NaOH is washed out of the cellulose structure, Na-Cell turn into Cellulose II upon drying (Langan et al. 2001).

     

    The aim of the present study was to gain a better understanding of the mercerisation of dissolving cellulose pulp at low water content. This has been done by spraying NaOH onto milled cellulose in a kneader, then washing the cellulose to neutrality to stop the reaction. After drying the transformation degree to cellulose II was analysed. The experiments include variation of temperature (30-60°C), reaction time (5 and 25 min), [NaOH] (45-55%), and NaOH:Cellulose molar ratio (0.8- 1.8). A combination of NIR Raman imaging and multivariate data analysis have been used to study the transformation degree.

     

    To the authors’ knowledge, this is the first time the influence of NaOH: Cellulose molar ratio on the mercerisation process has been studied in a single model together with temperature, reaction time and [NaOH]. Our results indicate that increased NaOH: Cellulose molar ratio has a significant positive influence on transformation degree of dissolving cellulose pulp at low water content.

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  • 6.
    Andersson, Magnus
    et al.
    Umeå University, Faculty of Science and Technology, Department of Physics.
    Axner, Ove
    Umeå University, Faculty of Science and Technology, Department of Physics.
    Almqvist, Fredrik
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Uhlin, Bernt Eric
    Umeå University, Faculty of Medicine, Department of Molecular Biology (Faculty of Medicine).
    Fällman, Erik
    Umeå University, Faculty of Science and Technology, Department of Physics.
    Physical Properties of Biopolymers Assessed by Optical Tweezers: Analysis of folding and refolding of bacterial pili2008In: ChemPhysChem, ISSN 1439-4235, E-ISSN 1439-7641, Vol. 9, no 2, p. 221-235Article in journal (Refereed)
    Abstract [en]

    Bacterial adhesion to surfaces mediated by specific adhesion organelles that promote infections, as exemplified by the pili of uropathogenic E. coli, is studied mostly at the level of cell-cell interactions and thereby reflects the averaged behavior of multiple pili. The role of pilus rod structure has therefore only been estimated from the outcome of experiments involving large numbers of organelles at the same time. It has, however, lately become clear that the biomechanical behavior of the pilus shafts play an important, albeit hitherto rather unrecognized, role in the adhesion process. For example, it has been observed that shafts from two different strains, even though they are similar in structure, result in large differences in the ability of the bacteria to adhere to their host tissue. However, in order to identify all properties of pilus structures that are of importance in the adhesion process, the biomechanical properties of pili must be assessed at the single-molecule level. Due to the low range of forces of these structures, until recently it was not possible to obtain such information. However, with the development of force-measuring optical tweezers (FMOT) with force resolution in the low piconewton range, it has lately become possible to assess forces mediated by individual pili on single living bacteria in real time. FMOT allows for a more or less detailed mapping of the biomechanical properties of individual pilus shafts, in particular those that are associated with their elongation and contraction under stress. This Mi- nireview presents the FMOT technique, the biological model system, and results from assessment of the biomechanical properties of bacterial pili. The information retrieved is also compared with that obtained by atomic force microscopy.

  • 7. Andrii, Dudnyk
    et al.
    Matthew, Burman
    Ludmyla, Kulyk
    Olena, Rzhepishevska
    Umeå University, Faculty of Science and Technology, Department of Chemistry. Umeå University, Faculty of Medicine, Department of Clinical Microbiology.
    M/XDR‐TB treatment perspective: how to avoid mountains of pills via digital technologies2018In: Respirology (Carlton South. Print), ISSN 1323-7799, E-ISSN 1440-1843, Vol. 23, no 6, p. 636-637Article in journal (Refereed)
  • 8. Artemenko, A.
    et al.
    Shchukarev, Andrey
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Štenclová, P.
    Wågberg, Thomas
    Umeå University, Faculty of Science and Technology, Department of Physics.
    Segervald, Jonas
    Umeå University, Faculty of Science and Technology, Department of Physics.
    Jia, X.
    Umeå University, Faculty of Science and Technology, Department of Physics.
    Kromka, A.
    Reference XPS spectra of amino acids2021Conference paper (Refereed)
    Abstract [en]

    In this report we present XPS data for five amino acids (AAs) (tryptophan, methionine, glutamine, glutamic acid, and arginine) with different side chain groups measured in solid state (powder form). The theoretically and experimentally obtained chemical structure of AAs are compared. Here, we analyse and discuss C 1 s, N 1 s, O 1s and S 2p core level binding energies, FWHMs, atomic concentrations of the functional groups in AAs. The experimentally obtained and theoretically calculated ratio of atomic concentrations are compared. The zwitterionic nature of methionine and glutamine in solid state was determined from protonated amino groups in N 1s peak and deprotonated carboxylic groups in the C 1s spectrum. The obtained XPS results for AAs well correspond with previously reported data.

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  • 9.
    Assefa, Anteneh
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry. Department of Aquatic Sciences and Assessment, Swedish University of Agricultural Sciences, Uppsala, Sweden.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Bignert, Anders
    Josefsson, Sarah
    Wiberg, Karin
    Sources of polychlorinated dibenzo-p-dioxins and dibenzofurans to Baltic Sea herring2019In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 218, p. 493-500Article in journal (Refereed)
    Abstract [en]

    Levels of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs) in herring (Clupea harengus) remain high in several parts of the Baltic Sea, despite declines in PCDD/F emissions since the 1980s. The reasons behind this are not well understood. This study applied a statistical modeling approach where sources of PCDD/Fs that contaminate Baltic biota were quantitatively assessed by analyzing existing datasets. PCDD/F patterns were extracted from a herring dataset using positive matrix factorization (PMF). The extracted biota patterns were transformed into sediment patterns using fish-to-sediment transformation factors, and the resulting patterns were compared with known source PCDD/F patterns. The model distinguished three model patterns, which explained 85% of the data. These patterns were matched to tetra-chlorophenol (TCP), penta-chlorophenol/atmospheric background (PCP/AB), and thermal source patterns, respectively. The thermal source was the largest contributor to toxic equivalents (TEQ) in herring, but the level decreased from 42 ± 9.0 pg TEQ g−1 lipid weight (lw) before year 2000 (pre-2000) to 15 ± 2.4 pg TEQ g−1 lw post-2000, i.e., a decline of around one-third in the original TEQ concentration. The contribution of TCP more than doubled, from 2.1 ± 0.62 pg TEQ g−1 lw to 5.6 ± 1.1 pg TEQ g−1 lw, and the relative contribution of PCP/AB also increased. These increasing trends suggest that, as primary air emissions of PCDD/Fs are managed and levels decline, the impact of TCP and PCP/AB sources on Baltic Sea biota will become more important over time and that PCDD/F-contaminated sites in coastal areas and marine environments require more attention.

  • 10. Aulin, Christian
    et al.
    Shchukarev, Andrey
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Lindqvist, Josefina
    Malmström, Eva
    Wågberg, Lars
    Lindström, Tom
    Wetting kinetics of oil mixtures on fluorinated model cellulose surfaces2008In: Journal of Colloid and Interface Science, ISSN 0021-9797, E-ISSN 1095-7103, Vol. 317, no 2, p. 556-67Article in journal (Refereed)
    Abstract [en]

    The wetting of two different model cellulose surfaces has been studied; a regenerated cellulose (RG) surface prepared by spin-coating, and a novel multilayer film of poly(ethyleneimine) and a carboxymethylated microfibrillated cellulose (MFC). The cellulose films were characterized in detail using atomic force microscopy (AFM) and X-ray photoelectron spectroscopy (XPS). AFM indicates smooth and continuous films on a nanometer scale and the RMS roughness of the RG cellulose and MFC surfaces was determined to be 3 and 6 nm, respectively. The cellulose films were modified by coating with various amounts of an anionic fluorosurfactant, perfluorooctadecanoic acid, or covalently modified with pentadecafluorooctanyl chloride. The fluorinated cellulose films were used to follow the spreading mechanisms of three different oil mixtures. The viscosity and surface tension of the oils were found to be essential parameters governing the spreading kinetics on these surfaces. XPS and dispersive surface energy measurements were made on the cellulose films coated with perfluorooctadecanoic acid. A strong correlation was found between the surface concentration of fluorine, the dispersive surface energy and the contact angle of castor oil on the surface. A dispersive surface energy less than 18 mN/m was required in order for the cellulose surface to be non-wetting (θe>90°) by castor oil.

    Graphical abstract

    AFM tapping mode image of a bilayer of PEI/MFC on silica in the height mode. The scanned surface area was 1 μm2 (left) and dispersive surface energy of fluorinated regenerated cellulose surfaces vs atomic fluorine concentration (right).

  • 11.
    Badea, Silviu-Laurentiu
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Association of hydrophobic organic compounds to organic material in the soil system2013Licentiate thesis, comprehensive summary (Other academic)
    Abstract [en]

    Contaminated soils and sediments have been identified as significant secondary sources of organic contaminants.  Leaching tests may be useful tools to estimate the mobility of contaminants via the water phase and thereby the risk for groundwater and surface water contamination. The influence of soil composition (peat and clay content) on the leachability was investigated in batch leaching experiments for chemically diverse hydrophobic organic compounds (HOCs: PCP, PAHs, HCB, HCHs, PCBs, and TCDD/Fs). The above mentioned compounds were analyzed by both GC-LRMS (gas chromatography coupled with low resolution mass spectrometry (GC-HRMS) and GC-HRMS (gas chromatography coupled with high resolution mass spectrometry). Also the the leachability of eleven selected PCBs from naturally aged soil (Västervik, Sweden) was investigated in relation to the composition and concentration of dissolved organic matter at different pH (2 to 9), using a pH static test with initial acid/base addition. The the composition and of dissolved organic matter (DOM) at different pH values was explored by FTIR spectroscopy. The results were evaluated by orthogonal projections to latent structures (OPLS).

    Generally, for all model compounds studies, the Kd-values showed a variability of 2-3 orders of magnitude depending on the matrix composition. The Kd-values of moderately hydrophobic compounds, (e.g. HCHs, PCP and Phe), were correlated mainly with the organic matter content of soil. For more hydrophobic compounds (e.g.BaA, HCB and PCB 47), the leachability decreased as the proportions of  OM and clay contents increased. The Kd-values of 1,3,6,8-TCDD and 1,3,6,8-TCDF were  positively correlated with peat content but negatively correlated with clay content, while for PCB 153 and PCB 155 the correlations were reversed. The log Kd-values of all target PCBs decreased with increased pH values and the log Kd-values were highly correlated with the concentration of total organic carbon (TOC) in the leachates. The FTIR analysis of DOM showed that the least chlorinated and hydrophobic PCB congeners (i.e. PCB 28) might be associated with the hydrophilic fraction (i.e. carboxylic groups) of DOM. Our study demonstrated how complex interaction between the organic matter, clay components, pH and DOC influences the leachability of HOCs in a compound-specific manner.

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    Association of hydrophobic organic compounds to organic material in the soil system
  • 12. Barišić, Antun
    et al.
    Lützenkirchen, Johannes
    Bebić, Nikol
    Li, Qinzhi
    Hanna, Khalil
    Shchukarev, Andrey
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Begović, Tajana
    Experimental Data Contributing to the Elusive Surface Charge of Inert Materials in Contact with Aqueous Media2021In: Colloids and interfaces, E-ISSN 2504-5377, Vol. 5, no 1, article id 6Article in journal (Other academic)
    Abstract [en]

    We studied the charging of inert surfaces (polytetrafluoroethylene, i.e., PTFE; graphite; graphene; and hydrophobic silica) using classical colloid chemistry approaches. Potentiometric titrations showed that these surfaces acquired less charge from proton-related reactions than oxide minerals. The data from batch-type titrations for PTFE powder did not show an effect of ionic strength, which was also in contrast with results for classical colloids. In agreement with classical colloids, the electrokinetic results for inert surfaces showed the typical salt level dependence. In some cases, the point of zero net proton charge as determined from mass and tentatively from acid–base titration differed from isoelectric points, which has also been previously observed, for example by Chibowski and co-workers for ice electrolyte interfaces. Finally, we found no evidence for surface contaminations of our PTFE particles before and after immersion in aqueous solutions. Only in the presence of NaCl-containing solutions did cryo-XPS detect oxygen from water. We believe that our low isoelectric points for PTFE were not due to impurities. Moreover, the measured buffering at pH 3 could not be explained by sub-micromolar concentrations of contaminants. The most comprehensive explanation for the various sets of data is that hydroxide ion accumulation occurred at the interfaces between inert surfaces and aqueous solutions.

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  • 13.
    Benavente, Veronica
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Lage, Sandra
    Department of Forest Biomaterials and Technology, Swedish University of Agricultural Sciences, Umeå, Sweden; Department of Environmental Science, Stockholm University, Stockholm, Sweden.
    Gentili, Francesco G.
    Department of Forest Biomaterials and Technology, Swedish University of Agricultural Sciences, Umeå, Sweden.
    Jansson, Stina
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Influence of lipid extraction and processing conditions on hydrothermal conversion of microalgae feedstocks – Effect on hydrochar composition, secondary char formation and phytotoxicity2022In: Chemical Engineering Journal, ISSN 1385-8947, E-ISSN 1873-3212, Vol. 428, article id 129559Article in journal (Refereed)
    Abstract [en]

    This study investigated the effect of lipid extraction of microalgae feedstocks subjected to hydrothermal carbonization (HTC) with regard to the carbonization degree, chemical composition and phytotoxicity of hydrochars produced under different reaction temperatures and residence times. Special attention was given to the formation and composition of secondary char, as this part of the hydrochar may be of particular importance for environmental and technical applications. A microalgae polyculture grown in municipal wastewater was extracted to retrieve lipids, and both unextracted (MA) and extracted microalgae (EMA) were used to produce hydrochars at 180–240 °C for 1–4 h. The composition of the hydrochars was thoroughly characterized by elemental analysis, thermogravimetric analysis and pyrolysis–gas chromatography/mass spectrometry analysis. MA exhibited a greater carbonization degree than EMA and contained higher amounts of secondary char under the same processing conditions. During the carbonization of EMA, more decomposition products remained in the liquid phase and less polymerization occurred than for MA, which explained the lower solid yield of EMA-derived hydrochars in comparison to MA hydrochars. Consequently, although they contained potentially toxic substances (i.e., carboxylic acids, aldehydes and ketones), the EMA-derived hydrochars exhibited a lower phytotoxic potential. This indicates that low-temperature hydrochars containing less than 10% of extractives might be suitable as soil amendments, whereas extractive-rich hydrochars would be more appropriate for other long-term applications, such as adsorbents for contaminant removal, energy storage and composite materials. Detailed characterization of microalgae-derived hydrochars is required to enable the most suitable application areas to be identified for these materials, and thereby make full use of their function as carbon sinks.

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  • 14.
    Benavente, Veronica
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry. RISE Processum AB, Hörneborgsvägen 10, Örnsköldsvik, Sweden.
    Pérez, Carla
    Umeå University, Faculty of Science and Technology, Department of Chemistry. Industrial Doctoral School, Umeå University, Umeå, Sweden.
    Jansson, Stina
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Co-hydrothermal carbonization of microalgae and digested sewage sludge: Assessing the impact of mixing ratios on the composition of primary and secondary char2024In: Waste Management, ISSN 0956-053X, E-ISSN 1879-2456, Vol. 174, p. 429-438Article in journal (Refereed)
    Abstract [en]

    The role of microalgae cultivation in wastewater treatment and reclamation has been studied extensively, as has the potential utility of the resulting algal biomass. Most methods for processing such biomass generate solid residues that must be properly managed to comply with current sustainable resource utilization requirements. Hydrothermal carbonization (HTC) can be used to process both individual wet feedstocks and mixed feedstocks (i.e., co-HTC). Here, we investigate co-HTC using microalgae and digested sewage sludge as feedstocks. The objectives were to (i) study the material's partitioning into solid and liquid products, and (ii) characterize the products’ physicochemical properties. Co-HTC experiments were conducted at 180–250°C using mixed microalgae/sewage sludge feedstocks with the proportion of sewage sludge ranging from 0 to 100 %. Analyses of the hydrochar composition and the formation and composition of secondary char revealed that the content of carbonized material in the product decreased as the proportion of sewage sludge in the feedstock increased under fixed carbonization conditions. The properties of the hydrochars and the partitioning of material between the liquid phase and the hydrochar correlated linearly with the proportion of microalgae in mixed feedstocks, indicating that adding sewage sludge to microalgae had weak or non-existent synergistic effects on co-HTC outcomes. However, the proportion of sewage sludge in the feedstock did affect the secondary char. For example, adding sewage sludge reduced the abundance of carboxylic acids and ketones as well as the concentrations of higher molecular weight cholesterols. Such changes may alter the viable applications of the hydrochar.

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  • 15.
    Berg, C. Anders R.
    Umeå University, Faculty of Teacher Education, Mathematics, Technology and Science Education. Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Factors related to observed attitude change toward learning chemistry among university students2005In: Chemistry Education Research and Practice, E-ISSN 1756-1108, Vol. 6, no 1, p. 1-18Article in journal (Refereed)
    Abstract [en]

    To gain insight into factors associated with changes in attitude toward learning chemistry, six students who displayed major attitude changes were identified through a pre- and post-course attitude questionnaire administered to sixty-six first-year university chemistry students. Those with largest attitude changes, both positive and negative, were selected to highlight the contrast between students. The six students were interviewed; descriptions of their one-semester chemistry course experiences were analyzed to identify factors associated with their change in attitude. A positive attitude change was associated with evidence of motivated behaviour, while a negative change was linked to less motivated behaviour. Students addressed similar factors in the educational setting, but students with positive attitude changes exhibited fewer negative views of educational factors, while students with negative attitude changes showed an opposite pattern. Since the same factors, students’ perceived level of teacher empathy for their efforts at chemistry learning, affected both groups, this indicates a possibility for changes in educational setting beneficial to all students.

  • 16.
    Bergius, Lina
    Umeå University, Faculty of Science and Technology, Department of Applied Physics and Electronics.
    Sulfatmätningar i kokeriet2015Independent thesis Basic level (university diploma), 5 credits / 7,5 HE creditsStudent thesis
    Abstract [en]

    This work has been performed in the digester at Domsjö Fabriker in order to clarify the concentration of sulphate-ions comparing to different driving-conditions in the process. The reason to this is to understand and be able to avoid conditions in the digester process that means very high concentrations of sulphate-ions. The work is included in the examination of higher education: process operator at Umeå University.At Domsjö Fabriker similar studies have been done in the digester and from that it has been found out that the concentration of sulphate-ions is connected to pH and over time. The purpose is to approve the understanding of the process conditions to avoid extremely high concentration of sulphate-ions. The mission with this work and the measurements included in the work is to put together results that show when the concentration of sulphate-ions is high. The procedure of the study has consisted in taking samples in series of four, frozen the samples and finally analyzing them by titration and pH-measurements.After 22 evaluated trial-series á four samples each from the boilers it was concluded that the concentration of sulphate-ions was the greatest in the end of this process-step. The pH was upper and the concentration of sulphate lower in the first sample. None of the data is abnormal in any way, and they are all connected and relevant to each other. In this experiment it is not possible to state if the concentration of sulphate is affected by the pH or not.

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  • 17. Bjarnsholt, T.
    et al.
    Buhlin, K.
    Dufrêne, Y. F.
    Gomelsky, M.
    Moroni, A.
    Ramstedt, Madeleine
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Rumbaugh, K. P.
    Schulte, T.
    Sun, L.
    Åkerlund, B.
    Römling, U.
    Biofilm formation – what we can learn from recent developments2018In: Journal of Internal Medicine, ISSN 0954-6820, E-ISSN 1365-2796, Vol. 284, no 4, p. 332-345Article in journal (Refereed)
    Abstract [en]

    Although biofilms have been observed early in the history of microbial research, their impact has only recently been fully recognized. Biofilm infections, which contribute to up to 80% of human microbial infections, are associated with common human disorders, such as diabetes mellitus and poor dental hygiene, but also with medical implants. The associated chronic infections such as wound infections, dental caries and periodontitis significantly enhance morbidity, affect quality of life and can aid development of follow-up diseases such as cancer. Biofilm infections remain challenging to treat and antibiotic monotherapy is often insufficient, although some rediscovered traditional compounds have shown surprising efficiency. Innovative anti-biofilm strategies include application of anti-biofilm small molecules, intrinsic or external stimulation of production of reactive molecules, utilization of materials with antimicrobial properties and dispersion of biofilms by digestion of the extracellular matrix, also in combination with physical biofilm breakdown. Although basic principles of biofilm formation have been deciphered, the molecular understanding of the formation and structural organization of various types of biofilms has just begun to emerge. Basic studies of biofilm physiology have also resulted in an unexpected discovery of cyclic dinucleotide second messengers that are involved in interkingdom crosstalk via specific mammalian receptors. These findings even open up new venues for exploring novel anti-biofilm strategies.

  • 18.
    Björklund, Sofie
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Weidemann, Eva
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Jansson, Stina
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Distribution of per- and polyfluoroalkyl substances (PFASs ) in a waste-to-energy plant: tracking PFASs in internal residual streams2024In: Environmental Science and Technology, ISSN 0013-936X, E-ISSN 1520-5851, Vol. 58, no 19, p. 8457-8463Article in journal (Refereed)
    Abstract [en]

    Per- and polyfluoroalkyl substances (PFASs) constitute a diverse group of man-made chemicals characterized by their water- and oil-repellent properties and persistency. Given their widespread use in consumer products, PFASs will inevitably be present in waste streams sent to Waste-to-Energy (WtE) plants. We have previously observed a subset of PFASs in residual streams (ashes, treated process water, and flue gas) from a WtE plant. However, the transport and distribution of PFASs inside the WtE plant have remained unaddressed. This study is part of a comprehensive investigation to create a synoptic overview of the distribution of PFASs in WtE residues. PFASs were found in all sample types except for boiler ash. The total levels of 18 individual PFASs (Σ18PFASs) in untreated flue gas ranged from 5.2 to 9.5 ng m-3, decreasing with 35% ± 10% after wet flue gas treatment. Σ18PFASs in the condensate ranged from 46 to 50 ng L-1, of which perfluorohexanoic acid (PFHxA) made up 90% on a ng L-1 basis. PFHxA was also dominant in filter ash, where Σ18PFASs ranged from 0.28 to 0.79 ng g-1. This study shows that flue gas treatment can capture some PFASs and transfer them into WtE residues.

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  • 19. Björlenius, Berndt
    et al.
    Ripszám, Mátyás
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Haglund, Peter
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Lindberg, Richard H.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Fick, Jerker
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Pharmaceutical residues are widespread in Baltic Sea coastal and offshore waters: Screening for pharmaceuticals and modelling of environmental concentrations of carbamazepine2018In: Science of the Total Environment, ISSN 0048-9697, E-ISSN 1879-1026, Vol. 633, p. 1496-1509Article in journal (Refereed)
    Abstract [en]

    The consumption of pharmaceuticals worldwide coupled with modest removal efficiencies of sewage treatment plants have resulted in the presence of pharmaceuticals in aquatic systems globally. In this study, we investigated the environmental concentrations of a selection of 93 pharmaceuticals in 43 locations in the Baltic Sea and Skagerrak. The Baltic Sea is vulnerable to anthropogenic activities due to a long turnover time and a sensitive ecosystem in the brackish water. Thirty-nine of 93 pharmaceuticals were detected in at least one sample, with concentrations ranging between 0.01 and 80 ng/L. One of the pharmaceuticals investigated, the anti-epileptic drug carbamazepine, was widespread in coastal and offshore seawaters (present in 37 of 43 samples). In order to predict concentrations of pharmaceuticals in the sub-basins of the Baltic Sea, a mass balance-based grey box model was set up and the persistent, widely used carbamazepine was selected as the model substance. The model was based on hydrological and meteorological sub-basin characteristics, removal data from smaller watersheds and wastewater treatment plants, and statistics relating to population, consumption and excretion rate of carbamazepine in humans. The grey box model predicted average environmental concentrations of carbamazepine in sub-basins with no significant difference from the measured concentrations, amounting to 0.57–3.2 ng/L depending on sub-basin location. In the Baltic Sea, the removal rate of carbamazepine in seawater was estimated to be 6.2 10−9 s−1 based on a calculated half-life time of 3.5 years at 10 °C, which demonstrates the long response time of the environment to measures phasing out persistent or slowly degradable substances such as carbamazepine. Sampling, analysis and grey box modelling were all valuable in describing the presence and removal of carbamazepine in the Baltic Sea.

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  • 20. Bouveresse, D. Jouan-Rimbaud
    et al.
    Pinto, Rui Climaco
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Schmidtke, L. M.
    Locquet, N.
    Rutledge, D. N.
    Identification of significant factors by an extension of ANOVA-PCA based on multi-block analysis2011In: Chemometrics and Intelligent Laboratory Systems, ISSN 0169-7439, E-ISSN 1873-3239, Vol. 106, no 2, p. 173-182Article in journal (Refereed)
    Abstract [en]

    A modification of the ANOVA-PCA method, proposed by Harrington et al. to identify significant factors and interactions in an experimental design, is presented in this article. The modified method uses the idea of multiple table analysis, and looks for the common dimensions underlying the different data tables, or data blocks, generated by the "ANOVA-step" of the ANOVA-PCA method, in order to identify the significant factors. In this paper, the "Common Component and Specific Weights Analysis" method is used to analyse the calculated multi-block data set. This new method, called AComDim, was compared to the standard ANOVA-PCA method, by analysing four real data sets. Parameters computed during the AComDim procedure enable the computation of F-values to check whether the variability of each original data block is significantly greater than that of the noise.

  • 21.
    Bozaghian, Marjan
    et al.
    Swedish University of Agricultural Sciences, Department of Forest Biomaterials and Technology.
    Rebbling, Anders
    Umeå University, Faculty of Science and Technology, Department of Applied Physics and Electronics.
    Larsson, Sylvia H.
    Swedish University of Agricultural Sciences, Department of Forest Biomaterials and Technology.
    Xiong, Shaojun
    Swedish University of Agricultural Sciences, Department of Forest Biomaterials and Technology.
    Skoglund, Nils
    Umeå University, Faculty of Science and Technology, Department of Applied Physics and Electronics.
    Combustion characteristics of barley straw stored with CaCO3 using olivine and quartz as bed materials in fluidized bed combustion2017Conference paper (Other academic)
  • 22.
    Broman, Karolina
    et al.
    Umeå University, Faculty of Science and Technology, Department of Science and Mathematics Education.
    Parchmann, Ilka
    IPN Leibniz Institute for Science and Mathematics Education, University of Kiel, Germany.
    Students' application of chemical concepts when solving chemistry problems in different contexts2014In: Chemistry Education Research and Practice, E-ISSN 1756-1108, Vol. 15, no 4, p. 516-529Article in journal (Refereed)
    Abstract [en]

    Context-based learning approaches have been implemented in school science over the last 40 years as a way to enhance students' interest in, as well as learning outcomes from, science. Contexts are used to connect science with the students' lives and to provide a frame in which concepts can be learned and applied on a ‘need-to-know’-principle. While effects on interest are coherently reported as positive, they are more diverse regarding cognitive learning outcomes. Hence, the demand for further research on criteria of context-based problems and problem-solving processes has been stated. In this paper, a study is presented investigating students' application of chemical concepts when solving context-based chemistry problems. Tasks for context-based problem solving have been designed systematically, using different combinations of contexts, topics and chemistry concepts in relation to the syllabus. Empirical data were collected using think-aloud interviews where 20 upper secondary students used their chemical content knowledge to solve the problems. The 15 context-based problems raised challenges within organic chemistry where concepts like electronegativity, polarity and solubility had to be applied. The difficulty to differentiate between intra- and intermolecular bonding emphasised in earlier research has also been apparent in this study. Besides the structural formula, which was an important part for the students when solving the tasks, the contextualisation of the problems was often used in the responses; students related their answers to the personal, societal or professional context in different ways. The paper explores the results and gives implications for context-based teaching, learning and assessment.

  • 23.
    Buckland, Philip I.
    Umeå University, Faculty of Arts, Department of historical, philosophical and religious studies, Environmental Archaeology Lab. Umeå University, Faculty of Arts, Humlab.
    SEAD - The Strategic Environmental Archaeology Database Inter-linking Multiproxy Environmental Data with Archaeological Investigations and Ecology2013In: Archaeology in the Digital Era: Papers from the 40th Annual Conference of Computer Applications and Quantitative Methods in Archaeology (CAA), Southampton, 26-29 March 2012 / [ed] Graeme Earl, Tim Sly, Angeliki Chrysanthi, Patricia Murrieta-Flores, Constantinos Papadopoulos, Iza Romanowska & David Wheatley, Amsterdam University Press, 2013, Vol. 1, p. 320-331Conference paper (Refereed)
    Abstract [en]

    The volume of data on past environmental and climate changes, as well as human interactions with these, has long since passed the level where it is manageable outside of large scale database systems. The Strategic Environmental Archaeology Database project aims to not only store and disseminate such data, but also provide tools for querying and analysing them, whilst maintaining a close connection with the archaeological and ecological data that are essential for their comprehensive interpretation. Large scale, geographically and chronologically unrestricted databases provide us with essentially unlimited scope for putting individual sites into a broader context and applying locally collated data to the investigation of earth system level changes. By providing integrated access to data from a variety of proxies, including plant macrofossils, pollen, insects and geochemistry, along with dating evidence, more complex questions can be answered where any single proxy would not be able to provide comprehensive answers.

  • 24.
    Buckland, Philip I
    et al.
    Umeå University, Faculty of Arts, Archaeology and Sami Studies.
    Johan, Olofsson
    Umeå University, Faculty of Arts, Archaeology and Sami Studies.
    Engelmark, Roger
    Umeå University, Faculty of Arts, Archaeology and Sami Studies.
    SEAD: Strategic Environmental Archaeology Database, planning report2006Report (Other academic)
    Abstract [en]

    This document lays out a strategy for the development of SEAD – A Strategic Environmental Archaeology Database, which will facilitate the digitisation and accessibility augmentation of MAL’s existing data from nearly thirty years of work in the fields of archaeology and environmental science. SEAD will also provide a framework for the entry of data from all future research and consultancy work at MAL, and allow guest researchers and external partners to contribute to, and work with the same data. The planned system will be implemented at both local and internet levels, and be designed with an aim towards broadening its scope with external partners in the future. SEAD will be made available online in order to increase the ease of access to environmental archaeology data and encourage an expansion of both the discipline and Sweden’s role in it. This is inline with current EU strategies on enhancing research infrastructure, and providing a greater insight into human-environment interactions for long term planning.

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  • 25.
    Bui, Thai Q.
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Konwar, Lakhya Jyoti
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Samikannu, Ajaikumar
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Nikjoo, Dariush
    Division of Materials Science, Luleå University of Technology, Luleå, Sweden.
    Mikkola, Jyri-Pekka
    Umeå University, Faculty of Science and Technology, Department of Chemistry. Laboratory of Industrial Chemistry and Reaction Engineering, Johan Gadolin Process Chemistry Centre, Åbo Akademi University, Turku, Finland.
    Mesoporous Melamine-Formaldehyde Resins as Efficient Heterogeneous Catalyst for Continuous Synthesis of Cyclic Carbonates from Epoxides and gaseous CO22020In: ACS Sustainable Chemistry and Engineering, E-ISSN 2168-0485, Vol. 8, no 34, p. 12852-12869Article in journal (Refereed)
    Abstract [en]

    Herein we report the application of inexpensive mesoporous melamine-formaldehyde resins (MMFR and MMFR250) obtained by a novel template-free and organosolvent-free hydrothermal method as efficient heterogeneous catalysts for direct synthesis of cyclic carbonates from CO2 and epoxides (epichlorohydrin, butylene oxide and styrene oxide). The catalytic activity of the melamine resins was attributed to the abundant Lewis basic N-sites capable of activating CO2 molecules. Based on CO2-Temperature programmed desorption, the concentration of surface basic sites for MMFR and MMFR250 were estimated to be 172 and 56 µmol/g, while the activation energy of CO2 desorption (strength of basic sites) were calculated to be 92.1 and 64.5 kJ/mol. We also observed considerable differences in the catalytic activity and stability of polymeric catalysts in batch and in continuous-flow mode; due to the existence of a synergism between adsorption of CO2 and cyclic carbonates (poison). Our experiments also revealed important role of catalyst surface chemistry and CO2 partial pressure upon catalyst poisoning. Nevertheless, owing to their unique properties (large specific surface area, large mesoporous and CO2 basicity) melamine resins presented excellent activity (turnover frequency 207-2147 h-1), selectivity (>99%) for carbonation of epoxides with CO2 (20 bar initial CO2 or CO2:epoxide mole ratio ~1.5) under solvent-free and co-catalyst-free conditions at 100-120 oC. Most importantly, these low-cost polymeric catalysts were reusable and demonstrated exceptional stability in a flow reactor (tested upto 13 days time on stream, weight hourly space velocity 0.26-1.91 h-1) for continuous cyclic carbonate production from gaseous CO2 with different epoxides (conversion 76-100% and selectivity >99%) under industrially relevant conditions (120 oC, 13 bar, solvent-free/co-catalyst-free) confirming their superiority over the previously reported catalytic materials.

  • 26. Cao, Lin-Ying
    et al.
    Zheng, Ziye
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Ren, Xiao-Min
    Andersson, Patrik L.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Guo, Liang-Hong
    Structure-dependent activity of polybrominated diphenyl ethers and their hydroxylated metabolites on estrogen related receptor gamma: in vitro and in silico study2018In: Environmental Science and Technology, ISSN 0013-936X, E-ISSN 1520-5851, Vol. 52, no 15, p. 8894-8902Article in journal (Refereed)
    Abstract [en]

    Estrogen-related receptor gamma (ERR gamma) is an orphan nuclear receptor having functional cross-talk with classical estrogen receptors. Here, we investigated whether ERR gamma is a potential target 8 of polybrominated diphenyl ethers (PBDEs) and their hydroxylated metabolites (OH-PBDEs). By using a fluorescence competitive binding method established in our laboratory, the binding potencies of 30 PBDEs/OH-PBDEs with ERR gamma were determined for the first time. All of the tested OH-PBDEs and some PBDEs bound to ERR gamma with K-d values ranging from 0.13-13.61 mu M. The OH-PBDEs showed much higher binding potency than their parent PBDEs. A quantitative structure-activity relationship (QSAR) model was developed to analyze the chemical binding potencies in relation to their structural and chemical characteristics. The QSAR model indicated that the molecular size, relative ratios of aromatic atoms, and hydrogen bond donors and acceptors were crucial factors for PBDEs/OH-PBDEs binding. By using a reporter gene assay, we found that most of the low-brominated PBDEs/OH-PBDEs exerted agonistic activity toward ERR gamma, while high-brominated PBDEs/OH-PBDEs had no effect on the basal ERR gamma activity. The docking results showed that the low-brominated PBDEs/OH-PBDEs tended to take an agonistic binding mode while the high-brominated ones tended to take an antagonistic binding mode. Overall, our results suggest ERR gamma to be a potential novel target for PBDEs/OH-PBDEs.

  • 27.
    Chelcea, Ioana C.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Computational methods for assessing chemical risk: focusing on toxicokinetic modelling in zebrafish (danio rerio)2023Doctoral thesis, comprehensive summary (Other academic)
    Abstract [en]

    New chemicals are constantly produced and large data gaps exist on hazards of currently used industrial chemicals, stressing the need for rapid, ethically sound and cost-efficient hazard assessment methods. Traditional methods for effect assessment based on animal testing, do not meet these requirements and thus the toxicology field has been moving towards the development of new approach methodologies which include in vitro approaches but also computational methods. The current work has mainly focused on computational tools but also employed in vitro and in vivo methodologies for the development and validation of the in silico approaches.

    We firstly explored chemical variation of emerging chemicals as a basis for selecting sub-groups of per- and polyfluoroalkyl substances (PFASs) and bisphenols for Papers I and II. These compounds can be used for future testing and as case study compounds for in silico tools development. The PFASs selection showed compounds with large differences in structure and highlighted the lack of knowledge for large parts of the PFASs chemical domain. This likely is the main driver of the low predictive accuracy of some current fate models and the need for expanding their applicability domains. 

    In Paper II we investigated the toxicokinetics of selected bisphenols in a commonly studied model organism, the zebrafish (Danio rerio), and developed a physiologically-based toxicokinetic model. Novel data for fish biotransformation was derived and showed lower rates than those measured in humans, providing valuable insight for both model parameterization and for chemical safety assessment using fish. The model also demonstrated the ability to predict and rank hazard of these bisphenols in terms of organ-specific bioaccumulation making it a useful tool for chemical screening and prioritization efforts. The results indicate that bisphenols AP, C and Z as well as tetrabromo bisphenol A may have larger potential for bioaccumulation than the widely used bisphenol A (BPA), indicating that these compounds do not constitute safer industrial substitutions.  

    Lastly, we present in Paper III the development of a toxicokinetic model for the zebrafish embryo life-stage. Since the zebrafish embryo test is widely applied in toxicology research, the developed model provides a tool to better understand how varying testing conditions may affect dose at target thus providing a means to compare internal effect concentrations. Additionally, we applied the model in combination with data on estrogenic activity in order to rank the relative hazard of investigated bisphenols, which showed that bisphenols AF, C, B and Z may be more hazardous than BPA.

    Overall the developed computational tools showed good predictive performance and improvements in parameterization, thus providing tools for understanding dose at target and toxicokinetic variation of emerging substances. Furthermore, the thesis presents novel data and findings for per- and polyfluoroalkyl substances and bisphenols, which are environmental pollutants of emerging concern of relevance for future hazard assessments and substitution processes.

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  • 28.
    dos Reis, Glaydson Simões
    et al.
    Department of Forest Biomaterials and Technology, Biomass Technology Centre, Swedish University of Agricultural Sciences, Umeå, Sweden.
    Larsson, Sylvia H.
    Department of Forest Biomaterials and Technology, Biomass Technology Centre, Swedish University of Agricultural Sciences, Umeå, Sweden.
    Mathieu, Manon
    IMT Mines Albi-Carmaux, Albi, France.
    Thyrel, Mikael
    Department of Forest Biomaterials and Technology, Biomass Technology Centre, Swedish University of Agricultural Sciences, Umeå, Sweden.
    Ngoc Pham, Tung
    Umeå University, Faculty of Science and Technology, Department of Chemistry. The University of Da-Nang, University of Science and Technology, Da Nang, Vietnam.
    Application of design of experiments (DoE) for optimised production of micro- and mesoporous Norway spruce bark activated carbons2023In: Biomass Conversion and Biorefinery, ISSN 2190-6815, E-ISSN 2190-6823, Vol. 13, no 11, p. 10113-10131Article in journal (Refereed)
    Abstract [en]

    In this work, Norway spruce (Picea abies (Karst) L.) bark was employed as a precursor to prepare activated carbon using zinc chloride (ZnCl2) as a chemical activator. The purpose of this study was to determine optimal activated carbon (AC) preparation variables by the response surface methodology using a Box–Behnken design (BBD) to obtain AC with high specific surface area (SBET), mesopore surface area (SMESO), and micropore surface area (SMICR). Variables and levels used in the design were pyrolysis temperature (700, 800, and 900 °C), holding time (1, 2, and 3 h), and bark/ZnCl2 impregnation ratio (1, 1.5, and 2). The optimal conditions for achieving the highest SBET were as follows: a pyrolysis temperature of 700 °C, a holding time of 1 h, and a spruce bark/ZnCl2 ratio of 1.5, which yielded an SBET value of 1374 m2 g−1. For maximised mesopore area, the optimal condition was at a pyrolysis temperature of 700 °C, a holding time of 2 h, and a bark/ZnCl2 ratio of 2, which yielded a SMESO area of 1311 m2 g−1, where mesopores (SMESO%) comprised 97.4% of total SBET. Correspondingly, for micropore formation, the highest micropore area was found at a pyrolysis temperature of 800 °C, a holding time of 3 h, and a bark/ZnCl2 ratio of 2, corresponding to 1117 m2 g−1, with 94.3% of the total SBET consisting of micropores (SMICRO%). The bark/ZnCl2 ratio and pyrolysis temperature had the strongest impact on the SBET, while the interaction between temperature and bark/ZnCl2 ratio was the most significant factor for SMESO. For the SMICRO, holding time was the most important factor. In general, the spruce bark AC showed predominantly mesoporous structures. All activated carbons had high carbon and low ash contents. Chemical characterisation indicated that the ACs presented disordered carbon structures with oxygen functional groups on the ACs’ surfaces. Well-developed porosity and a large surface area combined with favourable chemical composition render the activated carbons from Norway spruce bark with interesting physicochemical properties. The ACs were successfully tested to adsorb sodium diclofenac from aqueous solutions showing to be attractive products to use as adsorbents to tackle polluted waters. Graphical abstract: [Figure not available: see fulltext.].

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  • 29.
    Dracheva, Elena
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Norinder, Ulf
    Department of Computer and Systems Sciences, Stockholm University, Kista, Sweden.
    Rydén, Patrik
    Umeå University, Faculty of Science and Technology, Department of Mathematics and Mathematical Statistics.
    Engelhardt, Josefin
    Department of Environmental Science, Stockholm University, Stockholm, Sweden.
    Weiss, Jana M.
    Department of Environmental Science, Stockholm University, Stockholm, Sweden.
    Andersson, Patrik L.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    In Silico Identification of Potential Thyroid Hormone System Disruptors among Chemicals in Human Serum and Chemicals with a High Exposure Index2022In: Environmental Science and Technology, ISSN 0013-936X, E-ISSN 1520-5851, Vol. 56, no 12, p. 8363-8372Article in journal (Refereed)
    Abstract [en]

    Data on toxic effects are at large missing the prevailing understanding of the risks of industrial chemicals. Thyroid hormone (TH) system disruption includes interferences of the life cycle of the thyroid hormones and may occur in various organs. In the current study, high-throughput screening data available for 14 putative molecular initiating events of adverse outcome pathways, related to disruption of the TH system, were used to develop 19 in silico models for identification of potential thyroid hormone system-disrupting chemicals. The conformal prediction framework with the underlying Random Forest was used as a wrapper for the models allowing for setting the desired confidence level and controlling the error rate of predictions. The trained models were then applied to two different databases: (i) an in-house database comprising xenobiotics identified in human blood and ii) currently used chemicals registered in the Swedish Product Register, which have been predicted to have a high exposure index to consumers. The application of these models showed that among currently used chemicals, fewer were overall predicted as active compared to chemicals identified in human blood. Chemicals of specific concern for TH disruption were identified from both databases based on their predicted activity.

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  • 30.
    Engdahl, Cecilia
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Knutsson, Sofie
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Fredriksson, Sten-Åke
    Linusson, Anna
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Bucht, Göran
    Ekström, Fredrik
    Acetylcholinesterases from the Disease Vectors Aedes aegypti and Anopheles gambiae: Functional Characterization and Comparisons with Vertebrate Orthologues2015In: PLOS ONE, E-ISSN 1932-6203, Vol. 10, no 10, article id e0138598Article in journal (Refereed)
    Abstract [en]

    Mosquitoes of the Anopheles (An.) and Aedes (Ae.) genus are principal vectors of human diseases including malaria, dengue and yellow fever. Insecticide-based vector control is an established and important way of preventing transmission of such infections. Currently used insecticides can efficiently control mosquito populations, but there are growing concerns about emerging resistance, off-target toxicity and their ability to alter ecosystems. A potential target for the development of insecticides with reduced off-target toxicity is the cholinergic enzyme acetylcholinesterase (AChE). Herein, we report cloning, baculoviral expression and functional characterization of the wild-type AChE genes (ace-1) from An. gambiae and Ae. aegypti, including a naturally occurring insecticide-resistant (G119S) mutant of An. gambiae. Using enzymatic digestion and liquid chromatography-tandem mass spectrometry we found that the secreted proteins were post-translationally modified. The Michaelis-Menten constants and turnover numbers of the mosquito enzymes were lower than those of the orthologous AChEs from Mus musculus and Homo sapiens. We also found that the G119S substitution reduced the turnover rate of substrates and the potency of selected covalent inhibitors. Furthermore, non-covalent inhibitors were less sensitive to the G119S substitution and differentiate the mosquito enzymes from corresponding vertebrate enzymes. Our findings indicate that it may be possible to develop selective non-covalent inhibitors that effectively target both the wild-type and insecticide resistant mutants of mosquito AChE.

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  • 31.
    Espling, Maria
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Copper-transporting proteins and their interactions with platinum-based anticancer substances2013Doctoral thesis, comprehensive summary (Other academic)
    Abstract [en]

      Cisplatin (CisPt) is an important drug that is used against various cancers, including testicular, ovarian, lung, head, and neck cancer. However, its effects are limited by cellular resistance. The resistance is believed to be multifactorial, and may be mediated to varying degree by multiple systems in cells, one of the proposed systems being the copper (Cu) transporting system. The Cu-importer Ctr1 has proven importance for cellular sensitivity to CisPt by regulating its influx, while the Golgi-localized Cu-ATP:ases ATP7A/B can putatively mediate CisPt efflux and/or drug sequestration. Atox1 is a small Cu-chaperone that normally transfers Cu between Ctr1 and ATP7A/B, prior to delivery of Cu to the proteins in the secretory pathway. Since Ctr1 and ATP7A/B are reportedly involved in CisPt-resistance, CisPt interaction with Atox1 was the focus of the project this thesis is based upon.

      Using a variety of techniques, Atox1 was found to bind CisPt, also simultaneously with Cu. The Atox1-CisPt complexes were further probed using selected mutants in studies demonstrating that only the two cysteines (Cys12 and Cys15) in the Cu-binding site of Atox1 are essential for CisPt interactions. A proposed Atox1 di-metal complex containing both Cu and CisPt was found to be monomeric, and no loss of Cu was observed. In vitro experiments demonstrated that CisPt could also bind to metal-binding domain 4 of ATP7B (WD4), and that the drug could be transferred from Atox1 to the domain. These findings indicated that Atox1 may transfer CisPt to ATP7A/B in vivo, utilizing the same transport pathway as Cu. However, the CisPt-bound Atox1 complexes were not stable over time; upon incubation, protein unfolding and aggregation were observed. Thus, in vivo, Atox1 might alternatively be a dead-end sink for CisPt.

      The effects of the ligands around the Pt-center of Pt-based anticancer drugs and drug derivatives on Atox1 binding and unfolding were also investigated. The ligands’ chemistry and geometry were shown to dictate the extent and rate of the Pt-based substances interactions with Atox1. Finally, the occurrence of Atox1-CisPt interactions in a biological environment was demonstrated by developing and applying an antibody-based method allowing analysis of metals associated with Atox1 extracted from CisPt-treated cells.

      The findings presented in this thesis show that CisPt binds to Atox1 and WD4, also simultaneously with Cu, in vitro. The results support the hypothesis that Cu-transporting proteins can mediate cellular resistance to CisPt in vivo, and provide a deeper chemical understanding of the interactions between the proteins and the drug.

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    Avhandling Maria Espling
  • 32.
    Falk, Joel
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Engineering.
    Skoglund, Nils
    Umeå University, Faculty of Science and Technology, Department of Applied Physics and Electronics.
    Grimm, Alejandro
    Swedish University of Agricultural Sciences, Department of Forest Biomaterials and Technology.
    Boström, Dan
    Umeå University, Faculty of Science and Technology, Department of Applied Physics and Electronics.
    Öhman, Marcus
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Engineering.
    Difference in phosphate speciation between sewage sludge and biomass ash from fluidized bed combustion2018In: 27th International Conference of Impacts of Fuel Quality on Power Production and the Environment, September 23–28 September, 2018, Lake Louise, Canada, 2018Conference paper (Refereed)
    Abstract [en]

    The role of phosphorus in biomass combustion is a topic that has become increasingly relevantin recent years. Due to the demand for new sources of renewable energy and recovery of phosphorus from waste streams such as sewage sludge, research into the behavior of phosphorus during combustion is necessary for a continued development. This study aims to investigate potential differences in phosphate behavior during co-combustion of sewage sludge compared to other phosphorus-rich biomass or additives. The investigation was carried out in a bench scale bubbling fluidized bed, co-combusting six biomass blends of similar ash composition and combustion conditions but with different phosphorus association (logging residues (LR) or wheat straw (WS) with sewage sludge (SS), dried distiller’s grain (DG), or phosphoric acid (PA)). After combustion, bed ash samples, fly ash deposits and cyclone ash were collected and analyzed for elemental composition (SEM-EDS) and phase composition (XRD). Based on the XRD phase analyses, a significant difference in phosphate speciation were foundbetween biomass blends containing SS compare to DG or PA. Only two phosphate phases were identified in the ash from SS blends compared to a large variety of phosphates in ash from DG or PA blends. The difference in speciation could not be explained by a difference in ash fractionation as the elemental composition of the analyzed ash fractions were similar. Rather, the results indicate that the behavior of phosphorus in SS may be different to that in DG or PA.

  • 33.
    Feng, Wenting
    et al.
    Umeå University, Faculty of Science and Technology, Department of Ecology and Environmental Sciences.
    Klaminder, Jonatan
    Umeå University, Faculty of Science and Technology, Department of Ecology and Environmental Sciences.
    Boily, Jean-Francois
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Thermal Stability of Goethite-Bound Natural Organic Matter Is Impacted by Carbon Loading2015In: Journal of Physical Chemistry A, ISSN 1089-5639, E-ISSN 1520-5215, Vol. 119, no 51, p. 12790-12796Article in journal (Refereed)
    Abstract [en]

    Dissolved natural organic matter (NOM) sorption at mineral surfaces can significantly affect the persistence. of organic carbon in soils and sediments. Consequently, determining the mechanisms that stabilize sorbed NOM is crucial for predicting the persistence of carbon in nature. This study determined the effects of loadings and pH on the thermal stability of NOM associated: With synthetic goethite (alpha-FeOOH) particle surfaces, as a proxy for NOM mineral interactions taking place in nature.. NOM thermal stability was investigated using temperature programmed desorption (TPD) in the 30-700 degrees C range to collect vibration spectra of thermally decomposing goethite NOM assemblages, and to concomitantly analyze evolved gases using mass spectrometry Results showed that NOM thermal stability, indicated by the range of temperatures in which CO2 evolved during thermal decomposition, was greatest in unbound NOM and lowest when NOM was bound to goethite. NOM thermal Stability was also loading dependent. It decreased:when loadings were in increased the 0.01 to 042 mg C m(-2) range, where the upper value corresponds to a Langmuirian adsorption maximum. Concomitant Fourier transform infrared (FTIR) spectroscopy measurement showed that these lowered stabilities could be ascribed to direct NOM-goethite interactions that dominated the NOM binding environment. Mineral surface interactions at larger loadings involved, on the contrary, a smaller fraction of the sorbed NOM, thus increasing thermal stability toward that of its unbound counterpart. This study thus identifies a sorption threshold below which NOM sorption to goethite decreases NOM thermal stability, and above which no strong effects are Manifested. This should likely influence the fate of organic carbon exposed to thermal gradients in natural environments.

  • 34.
    Ferro, Lorenza
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Gentili, Francesco G.
    Funk, Christiane
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Isolation and characterization of microalgal strains for biomass production and wastewater reclamation in Northern Sweden2018In: Algal Research, ISSN 2211-9264, Vol. 32, p. 44-53Article in journal (Refereed)
    Abstract [en]

    Microalgal strains adapted to the harsh Nordic climate were isolated from Swedish fresh- and wastewater sources and tested for their ability to grow in municipal wastewater. The 62 strains able to grow in municipal wastewater belonged to 12 different genera, of those Desmodesmus, Scenedesmus and Chlorella were most representative. Eight axenic strains were further characterized, all of which could efficiently remove nitrogen (>90%) and phosphate (>99%) from the wastewater in less than two weeks. The microalga Coelastrella sp. had the highest performance in terms of both biomass concentration and total lipid content (1.46 g/L, 30.8%) after 13 days of cultivation. This is the first report of a Coelastrella strain isolated in Sweden. Even Chlorella vulgaris performed very well with a biomass concentration and total lipid content of 1.15 g/L and 34.2%, respectively. Finally, two Desmodesmus sp. strains showed desirable traits for biofuel-feedstock, due to their fast growth rates (1.18 and 1.08 d−1) together with high oil content (29.8% and 36.7% of DW).

  • 35.
    Forsberg, Diana Carolina Reyes
    et al.
    MoRe Research AB, Örnsköldsvik, Sweden.
    Sundman, Ola
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    On the importance of variation of alkalisation conditions on cellulose ether synthesis2022In: Cellulose Chemistry and Technology, ISSN 0576-9787, Vol. 56, no 3-4, p. 227-238Article in journal (Refereed)
    Abstract [en]

    With a multivariate approach, we investigate and correlate the effect of mercerization conditions on the properties of a cellulose ether. We have chosen to work with carboxymethylcellulose (CMC) for analytical reasons. As expected, the DS was found to increase when the NaOH/AGU (anhydroglucose unit) stoichiometric ratio (r) was increased (range 1.0–1.3) and [NaOH] was decreased (range 50-30%). However, such changes also favoured the formation of unwanted side products. Decreased (r) and increased [NaOH] resulted in increased heterogeneity, and thus the quantities of insoluble particles and unreacted chemicals also increased. As another result, the prediction between mercerisation and synthesis weakens. Consequently, a DS of 0.18–0.7 was obtained; the measured solubility was much lower than expected. A non-statistical distribution of substituents was further found. Interestingly, the relative importance of substitution at increases with an increased [NaOH].

  • 36.
    Geng, Longlong
    et al.
    Shandong Provincial Key Laboratory of Monocrystalline Silicon Semiconductor Materials and Technology, College of Chemistry and Chemical Engineering, Dezhou University, Dezhou, China.
    An, Su
    Shandong Provincial Key Laboratory of Monocrystalline Silicon Semiconductor Materials and Technology, College of Chemistry and Chemical Engineering, Dezhou University, Dezhou, China.
    Wang, Xiaoli
    Shandong Provincial Key Laboratory of Monocrystalline Silicon Semiconductor Materials and Technology, College of Chemistry and Chemical Engineering, Dezhou University, Dezhou, China.
    Chen, Jianbing
    Research Academy of Non-metallic Mining Industry Development, Materials and Environmental Engineering College, Chizhou University, Chizhou, China.
    Liu, Zhongmin
    Shandong Provincial Key Laboratory of Monocrystalline Silicon Semiconductor Materials and Technology, College of Chemistry and Chemical Engineering, Dezhou University, Dezhou, China.
    Zhang, Xiuling
    Shandong Provincial Key Laboratory of Monocrystalline Silicon Semiconductor Materials and Technology, College of Chemistry and Chemical Engineering, Dezhou University, Dezhou, China.
    Zhang, Da-Shuai
    Shandong Provincial Key Laboratory of Monocrystalline Silicon Semiconductor Materials and Technology, College of Chemistry and Chemical Engineering, Dezhou University, Dezhou, China.
    Zhang, Yong-Zheng
    Shandong Provincial Key Laboratory of Monocrystalline Silicon Semiconductor Materials and Technology, College of Chemistry and Chemical Engineering, Dezhou University, Dezhou, China.
    Wågberg, Thomas
    Institute for Ecological Research and Pollution Control of Plateau Lakes, School of Ecology and Environmental Science, Yunnan University, Kunming, Yunnan, China.
    Hu, Guangzhi
    Umeå University, Faculty of Science and Technology, Department of Physics. Institute for Ecological Research and Pollution Control of Plateau Lakes, School of Ecology and Environmental Science, Yunnan University, Kunming, Yunnan, China.
    Valence-mixed CuOx-nanoparticles anchored biomass-based carbon nanofiber for boosting toxic nitroarenes reduction: Synthesis, kinetics, and mechanisms2022In: Journal of Environmental Chemical Engineering, E-ISSN 2213-3437, Vol. 10, no 6, article id 108689Article in journal (Refereed)
    Abstract [en]

    The rational modulation of metal catalysts with tailorable valence and redox properties is a promising strategy for further improving their catalytic performance. Herein, an environment-friendly grafting and thermal strategy was adopted to immobilize copper oxides nanoparticles on carbon nanofiber (CuOx/CF). Benefiting from the defect-rich surface and valence-mixed composition of the CuOx species, the optimized sample CuOx/CF-3 exhibits superb activity for the catalytic reduction of toxic nitrophenols. The complete conversion took only 1 min and an outstanding rate constant (k) of 112.7 × 10-3 s-1 was achieved under mild conditions (25 °C and 1 atm). Kinetic and recycle experiments demonstrated that the whole catalytic process obeys a pseudo-order kinetic, and the catalyst could maintain high conversion even after 13 successive recycles. These results demonstrate that CuOx/CF-3 is an alternative catalyst to noble metals, providing superb catalytic efficiency and stability in the reduction of toxic nitrophenols, and it can be expanded to develop other noble-metal-free catalysts for various applications.

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  • 37.
    Gojkovic, Zivan
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Shchukarev, Andrey
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Ramstedt, Madeleine
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Funk, Christiane
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Cryogenic X-ray photoelectron spectroscopy determines surface composition of algal cells and gives insights into their spontaneous sedimentation2020In: Algal Research, ISSN 2211-9264, Vol. 47, article id 101836Article in journal (Refereed)
    Abstract [en]

    The flotation properties of two green microalgal species isolated from Northern Sweden, Chlorella vulgaris 13-1 and Coelastrella sp. 3-4, were investigated. C. vulgaris 13-1 is a flotating alga that remains suspended in solution during culturing, while Coelastrella sp. 3-4 is readily sedimenting in the stationary growth phase. We were the first to use cryogenic X-ray photoelectron spectroscopy (Cryo-XPS) to gain information on the chemical composition of the algal cell surface and added to these data results obtained from diffuse reflectance - Fourier Transform infrared spectroscopy (DR-FTIR) and classical chemical extractions of carbohydrates, lipids and proteins. Based on the Cryo-XPS data the surface of the sedimenting Coelastrella sp. 3-4 strain is rich in proteins and lipids, while the cell surface of non-flocculating C. vulgaris 13-1 is predominated by carbohydrates, but is poor in lipids. The Zeta-potential of both strains was equally negative. Cell size and the amount of carbohydrates on the algal cell surface, but not the negative surface charge, therefore indicate colloidal stability of microalgae in solutions and can be applied to predict flotation properties of green microalgae.

  • 38.
    Gustafsson, Asa
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry. Swetox, Karolinska Institutet, Unit of Toxicology Sciences, Forskargatan 20, SE-151 36 Södertälje, Sweden.
    Krais, Annette M.
    Gorzsás, András
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Lundh, Thomas
    Gerde, Per
    Isolation and characterization of a respirable particle fraction from residential house-dust2018In: Environmental Research, ISSN 0013-9351, E-ISSN 1096-0953, Vol. 161, p. 284-290Article in journal (Refereed)
    Abstract [en]

    Indoor air pollution has caused increasing concern in recent years. As we spend most of our lives indoors, it is crucial to understand the health effects caused by indoor air pollution. Household dust serve as good proxy for accessing indoor air pollution, especially smaller dust particles that can pass into the lungs are of interest. In this study we present an efficient method for the isolation of dust particles in the respirable size range. The respirable fraction was recovered from vacuum cleaner bags, separated by stepwise sieving, followed by characterization for size, morphology, surface area, organic content and elemental composition. The respirable fraction was obtained in a yield of 0.6% with a specific surface area of 2.5 m(2)/g and a Mass Median Aerodynamic Diameter of 3.73 +/- 0.15 mu m. Aluminum and zink were the dominating metals measured in the dust, whereas the major mineral components were found to be silicon dioxide and calcium carbonate. The fraction of organic matter in the dust was measured to be 69 +/- 1%. The organic matrix contained bacterial and fungi and a presence of skin fragments. We present here an efficient and fast method for the isolation of dust particles in the respirable size range. That is of considerable value due to the need for large quantities of respirable particle fractions to conduct toxicological studies and risk assessment work.

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  • 39.
    Hagberg, Aleksandra
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    "Under pressure": interaction between pharmaceuticals and river bacteria2024Doctoral thesis, comprehensive summary (Other academic)
    Abstract [en]

    Pharmaceuticals are often entering the environment without being completely decomposed. Once released in the environment they continue to carry on their main function but instead targeting the inhabitants of the aquatic ecosystem. Our interest was drawn towards the bacteria, that are often present in the environment in the form of biofilms. Despite their small size, they are carrying on important functions for the ecosystem. Any disruption in their work can potentially result a disturbance in the whole ecosystem. Thus, knowing the possible effect of the pharmaceuticals on bacterial biofilms can give us more understanding about the mechanisms that lie beneath pharmaceutical pollution.

    Natural degradation processes like photolysis, hydrolysis, and biodegradation can reduce pollutant concentrations. Bacterial biofilms, common in aquatic ecosystems, play a crucial role in pharmaceutical degradation process. The extracellular polymeric substances (EPS) produced by biofilms enhance their tolerance to environmental stressors.

    This study focuses on bacterial biofilms chronically exposed to low levels of pharmaceuticals remaining in the treated waste water released from a STP into the Knivsta River, Sweden. Using the sequencing we mapped the species that inhabited the sampling location. Model biofilm consortia were constructed and characterized using various analysis techniques. Experiments investigated bacterial motility, biofilm formation, and interactions between isolates. The bacterial isolates exhibited diverse motility patterns. Cross- cultivation assays indicated coexistence without negative interactions among isolates. Chemical analysis using ATR-FTIR spectroscopy and cryo-XPS revealed differences in macromolecular composition among isolates.

    The impact of pharmaceuticals, such as Trimethoprim and Diclofenac, on bacterial growth was studied.

    The findings contribute to understanding the complex interactions between pharmaceuticals and bacterial biofilms, crucial for assessing environmental risks and designing possible wastewater treatment strategies.

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  • 40.
    Hall, Michael
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Schexnaydre, Erin
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Holmlund, Camilla
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Carroni, Marta
    SciLifeLab Cryo-EM Facility, Department of Biochemistry and Biophysics, Stockholm University, Solna, Sweden.
    Protein structural analysis by cryogenic electron microscopy2023In: Advanced methods in structural biology / [ed] Ângela Sousa; Luis Passarinha, New York: Humana Press, 2023, 1, Vol. 2652, p. 439-463Chapter in book (Refereed)
    Abstract [en]

    Cryogenic electron microscopy (cryo-EM) is constantly developing and growing as a major technique for structure determination of protein complexes. Here, we detail the first steps of any cryo-EM project: specimen preparation and data collection. Step by step, a list of material needed is provided and the sequence of actions to carry out is given. We hope that these protocols will be useful to all people getting started with cryo-EM.

  • 41.
    Hedayati, Ali
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Engineering.
    Lindgren, Robert
    Umeå University, Faculty of Science and Technology, Department of Applied Physics and Electronics.
    Boman, Christoffer
    Umeå University, Faculty of Science and Technology, Department of Applied Physics and Electronics.
    Skoglund, Nils
    Umeå University, Faculty of Science and Technology, Department of Applied Physics and Electronics.
    Öhman, Marcus
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Engineering.
    Ash transformation during single-pellet combustion of agricultural biomass fuels – focus on K and P2018Conference paper (Other academic)
  • 42.
    Hernell, Olle
    Umeå University, Faculty of Medicine, Department of Medical Biochemistry and Biophysics.
    Den humana mjölkens lipaser: egenskaper och fysiologiska aspekter1974Doctoral thesis, comprehensive summary (Other academic)
    Abstract [sv]

    I avhandlingen visas att:

    1.  Human mjölk innehåller två lipaser. Det ena är ett serum-stimulerat lipas (lipoprotein lipas). Lipoprotein lipaser är enzymer som har en central roll i den normala katabolismen av de triglyceridrika plasma- lipoproteinerna. Lipaset har sannolikt inte någon fysiologisk funktion i mjölken. En metod beskrivs med vilken lipaset har renats ca 9 500 gånger från mjölk.

    2.  Det serum-stimulerade lipaset från human mjölk har de klassiska egen­skaperna för ett serum-stimulerat lipas (lipoprotein lipas). Med en immunologisk metod visas att lipaset korsreagerar med motsvarande lipaser i bovin mjölk och human postheparin plasma. Slutsatsen är att det serum-stimulerade lipaset i human mjölk är väl värt att studera eftersom det mycket väl kan ha många egenskaper gemensamma med de fysiologiskt aktiva och viktiga humana serum-stimulerade lipaserna.

    3.  Det andra lipaset i human mjölk, det gallsalt-stimulerade lipaset, har en låg substratspecificitet. Gallsalter stimulerar enzymaktiviteten mot alla substrat som testats. Mot mjölkens egna triglycerider är lipaset helt inaktivt i frånvaro av gallsalter. I närvaro av gall- salter spjälkar lipaset alla tre esterbindningarna i triglycerid- molekylen så att slutprodukterna blir fria fettsyror och glycerol.

    4.  Gallsalter skyddar lipaset mot olika typer av inaktivering, t ex mot inaktivering av tarmens proteinnedbrytande enzymer. Det är sanno­likt att gallsalternas effekt beror på att de direkt interagerar med enzymproteinet. Lipaset visas ha sådana egenskaper att det väsentligt skulle kunna bidraga till den spjälkning av mjölktriglyceriderna som sker i tarmen hos den nyfödde.

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    Den humana mjölkens lipaser
  • 43.
    Häggström, Gustav
    et al.
    Energy Engineering, Division of Energy Science, Luleå University of Technology, Luleå, Sweden.
    Fürsatz, Katharina
    Bioenergy2020+ GmbH, Güssing, Austria; Institute of Chemical, Environmental & Bioscience Engineering, TU Wien, Vienna, Austria.
    Kuba, Matthias
    Umeå University, Faculty of Science and Technology, Department of Applied Physics and Electronics. Energy Engineering, Division of Energy Science, Luleå University of Technology, Luleå, Sweden; Bioenergy2020+ GmbH, Güssing, Austria; Institute of Chemical, Environmental & Bioscience Engineering, TU Wien, Vienna, Austria.
    Skoglund, Nils
    Umeå University, Faculty of Science and Technology, Department of Applied Physics and Electronics.
    Öhman, Marcus
    Energy Engineering, Division of Energy Science, Luleå University of Technology, Luleå, Sweden.
    Fate of phosphorus in fluidized bed cocombustion of chicken litter with wheat straw and bark residues2020In: Energy & Fuels, ISSN 0887-0624, E-ISSN 1520-5029, Vol. 34, no 2, p. 1822-1829Article in journal (Refereed)
    Abstract [en]

    This study aims to determine the fate of P during fluidized bed co-combustion of chicken litter (CL) with K-rich fuels [e.g., wheat straw (WS)] and Ca-rich fuels (bark). The effect of fuel blending on phosphate speciation in ash was investigated. This was performed by chemical characterization of ash fractions to determine which phosphate compounds had formed and identify plausible ash transformation reactions for P. The ash fractions were produced in combustion experiments using CL and fuel blends with 30% CL and WS or bark (B) at 790–810 °C in a 5 kW laboratory-scale bubbling fluidized bed. Potassium feldspar was used as the bed material. Bed ash particles, cyclone ash, and particulate matter (PM) were collected and subjected to chemical analysis with scanning electron microscopy–energy-dispersive X-ray spectrometry (SEM–EDS) and X-ray diffraction. P was detected in coarse ash fractions only, that is, bed ash, cyclone ash, and coarse PM fraction (>1 μm); no P could be detected in the fine PM fraction (<1 μm). SEM–EDS analysis showed that P was mainly present in K–Ca–P-rich areas for pure CL as well as in the ashes from the fuel blends of CL with WS or B. In the WS blend, P was found together with Si in these areas. The crystalline compound containing P was hydroxyapatite in all cases as well as whitlockite in the cases of pure CL and WS blend, of which the latter compound has been previously identified as a promising plant nutrient. The ash fractions from CL and bark blend only contained P in hydroxyapatite. Co-combustion of CL together with WS appears to be promising for P recovery, and ashes with this composition could be further studied in plant growth experiments.

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  • 44.
    Hörsing, Maritha
    et al.
    Water and Environmental Engineering at Department of Chemical Engineering, Lund University, Lund, Sweden; Department of Environmental Engineering, Technical University of Denmark, Kgs Lyngby, Denmark.
    Andersen, Henrik Rasmus
    Department of Environmental Engineering, Technical University of Denmark, Kgs Lyngby, Denmark.
    Grabic, Roman
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Jansen, Jes la Cour
    Water and Environmental Engineering at Department of Chemical Engineering, Lund University, Lund, Sweden.
    Ledin, Anna
    Water and Environmental Engineering at Department of Chemical Engineering, Lund University, Lund, Sweden.
    Sorption of 71 Pharmaceuticals to Powder Activated Carbon for Improved Wastewater Treatment2022In: Clean Technologies, E-ISSN 2571-8797, Vol. 4, no 2, p. 296-308Article in journal (Refereed)
    Abstract [en]

    In this study, sorption distribution coefficients were determined for 71 pharmaceuticals, aiming to describe their sorption behavior to powder activated carbon (PAC). The data are expected to be applied when designing and upgrading wastewater treatment plants (WWTP) for improved removal of pharmaceuticals by applying sorption to PAC as an additional removal technique. Sorption isotherms were determined for the pharmaceuticals over a concentration interval covering a wide range from 0.08 to 10 µg/L using PAC at a concentration of 10 mg/L. The best fitted sorption isotherms were used to calculate the distribution coefficients (Kd) and these were applied to estimate that the PAC doses needed to achieve a target concentration of 10 ng/L in the effluent. A target concentration was used since neither discharge limit values nor environmental quality standards in general have been defined for these compounds. Using a %-removal approach does not guarantee achievement of concentrations low enough to protect the water ecosystems. Some of the pharmaceuticals will be reduced by the addition of small amounts of PAC. Examples are atenolol, carbamazepine, citalopram, codeine, fluoxetine and ibuprofen. For others, e.g., oxazepam, an alternative treatment has to be considered since the requested dose is too high to be realistic for a target concentration of 10 ng/L.

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  • 45.
    Idström, Alexander
    et al.
    Swerea IVF.
    Gentil, Luigi
    Lund University.
    Gubitosi, Marta
    Lund University.
    Olsson, Carina
    Swerea IVF.
    Stenqvist, Björn
    Lund University.
    Lund, Mikael
    Lund University.
    Olsson, Ulf
    Lund University.
    Köhnke, Tobias
    Swerea IVF.
    Bergquist, Karl-Erik
    Lund University.
    Dissolution of cellulose in tetrabutylammonium acetate/dimethyl sulfoxide2016In: The 7th workshop on cellulose, regenerated cellulose and cellulose derivatives, 2016Conference paper (Other academic)
    Abstract [en]

    The dissolution of cellulose in tetrabutylammonium acetate (TBAAc)/dimethyl sulfoxide (DMSO) was studied combining experimental and simulation techniques. It was found that the dissolution limit at 40 °C corresponded to a molar ratio close to one acetate per cellulose anhydroglucose units. MD simulations suggested that the acetate ions bind to cellulose by dual hydrogen bonds. This effectively turns cellulose into a polyelectrolyte, attracting the bulky tetrabutylammonium (TBA+) counter ions, which prevent close contact between chains in the dissolved state. This hypothesis was tested by 1H- and 13C-NMR spectroscopy, which confirmed that acetate forms hydrogen bonds to cellulose, and by diffusion NMR spectroscopy, which demonstrated a strong dynamic correlation between bound acetate and tetrabutylammonium in near-quantitative agreement with simulation. The present results suggest that offering hydrogen bonding to the acetate ions is the main driving force for dissolving cellulose and that the TBA+ counter ions form a diffuse layer around the acetate-decorated cellulose chains.

  • 46.
    Ismail, Norafiqah
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Venault, Antoine
    Mikkola, Jyri-Pekka
    Umeå University, Faculty of Science and Technology, Department of Chemistry. Industrial Chemistry & Reaction Engineering, Johan Gadolin Process Chemistry Centre, Åbo Akademi University, Biskopsgatan 8, 20500, Åbo-Turku, Finland .
    Bouyer, Denis
    Drioli, Enrico
    Tavajohi Hassan Kiadeh, Naser
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Investigating the potential of membranes formed by the vapor induced phase separation process2020In: Journal of Membrane Science, ISSN 0376-7388, E-ISSN 1873-3123, Vol. 597, article id 117601Article, review/survey (Refereed)
    Abstract [en]

    About 100 years ago, Zsigmondy and Bachmann invented a new method to induce phase inversion, the so-called vapor induced phase separation (VIPS). Since then many researchers have demonstrated this method in membrane fabrication. Here we present a review on membrane fabrication via VIPS to provide insights into membrane formation parameters in order to achieve desired properties for different applications. The key factors upon membrane preparation including solution parameters (i.e. polymer type and concentration, type of solvent, and additives) as well as operating parameters (i.e. exposure time, relative humidity, dissolution temperature, and vapor temperature) are comprehensively discussed. Furthermore, the design of a fouling-resistance membrane by the VIPS process has recently gained attention and is elaborated in details. The applications of the produced membranes via VIPS in water and wastewater treatment, gas separations, electrochemical applications (i.e. secondary batteries and supercapacitors) as well as in medical and biological applications are summarized and an outlook for future investigation is presented.

  • 47. Kang, Yuqiong
    et al.
    Guo, Xingang
    Guo, Zhiwu
    Li, Jiangang
    Zhou, Yunan
    Liang, Zheng
    Han, Cuiping
    He, Xiangming
    Zhao, Yun
    Tavajohi Hassan Kiadeh, Naser
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Li, Baohua
    Phosphorus-doped lithium- and manganese-rich layered oxide cathode material for fast charging lithium-ion batteries2021In: Journal of Energy Chemistry, ISSN 2095-4956, E-ISSN 2096-885X, Vol. 62, p. 538-545Article in journal (Refereed)
    Abstract [en]

    Owing to their high theoretical specific capacity and low cost, lithium- and manganese-rich layered oxide (LMR) cathode materials are receiving increasing attention for application in lithium-ion batteries. However, poor lithium ion and electron transport kinetics plus side effects of anion and cation redox reactions hamper power performance and stability of the LMRs. In this study, LMR Li1.2Mn0.6Ni0.2O2 was modified by phosphorus (P)-doping to increase Li+ conductivity in the bulk material. This was achieved by increasing the interlayer spacing of the lithium layer, electron transport and structural stability, resulting in improvement of the rate and safety performance. P5+ doping increased the distance between the (003) crystal planes from ∼0.474 nm to 0.488 nm and enhanced the structural stability by forming strong covalent bonds with oxygen atoms, resulting in an improved rate performance (capacity retention from 38% to 50% at 0.05 C to 5 C) and thermal stability (50% heat release compared with pristine material). First-principles calculations showed the P-doping makes the transfer of excited electrons from the valence band to conduction band easier and P can form a strong covalent bond helping to stabilize material structure. Furthermore, the solid-state electrolyte modified P5+ doped LMR showed an improved cycle performance for up to 200 cycles with capacity retention of 90.5% and enhanced initial coulombic efficiency from 68.5% (pristine) or 81.7% (P-doped LMR) to 88.7%.

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  • 48.
    Kant Bhatia, Shashi
    et al.
    Department of Biological Engineering, College of Engineering, Konkuk University, Seoul, South Korea; Institute for Ubiquitous Information Technology and Applications, Seoul, South Korea.
    Ahuja, Vishal
    Department of Biotechnology, Himachal Pradesh University, Shimla, India.
    Chandel, Neha
    School of Medical and Allied Sciences, GD Goenka University, Gurugram-122103, Haryana, India.
    Mehariya, Sanjeet
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Kumar, Pradeep
    Faculty of Applied Sciences and Biotechnology, Shoolini University of Biotechnology and Management Sciences, Solan, India.
    Vinayak, Vandana
    Diatom Nanoengineering and Metabolism Laboratory (DNM), School of Applied Sciences, Dr. Harisingh Gour Vishwavidyalaya (A Central University), Madhya Pradesh, Sagar, India.
    Saratale, Ganesh Dattatraya
    Department of Food Science and Biotechnology, Dongguk University-Seoul, 32 Dongguk-ro, Ilsandong-gu, Goyang-si 10326, Gyeonggi-do, South Korea.
    Raj, Tirath
    School of Civil and Environmental Engineering, Yonsei University, Seoul, South Korea.
    Kim, Sang-Hyoun
    School of Civil and Environmental Engineering, Yonsei University, Seoul, South Korea.
    Yang, Yung-Hun
    Department of Biological Engineering, College of Engineering, Konkuk University, Seoul, South Korea; Institute for Ubiquitous Information Technology and Applications, Seoul, South Korea.
    An overview on microalgal-bacterial granular consortia for resource recovery and wastewater treatment2022In: Bioresource Technology, ISSN 0960-8524, E-ISSN 1873-2976, Vol. 351, article id 127028Article, review/survey (Refereed)
    Abstract [en]

    Excessive generation of wastewater is a matter of concern around the globe. Wastewater treatment utilizing a microalgae-mediated process is considered an eco-friendly and sustainable method of wastewater treatment. However, low biomass productivity, costly harvesting process, and energy extensive cultivation process are the major bottleneck. The use of the microalgal-bacteria granular consortia (MBGC) process is economic and requires less energy. For efficient utilization of MBGC, knowledge of its structure, composition and interaction are important. Various microscopic, molecular and metabolomics techniques play a significant role in understating consortia structure and interaction between partners. Microalgal-bacteria granular consortia structure is affected by various cultivation parameters like pH, temperature, light intensity, salinity, and the presence of other pollutants in wastewater. In this article, a critical evaluation of recent literature was carried out to develop an understanding related to interaction behavior that can help to engineer consortia having efficient nutrient removal capacity with reduced energy consumption.

  • 49.
    Khasevani, Sepideh G.
    et al.
    Department of Engineering Sciences and Mathematics, Luleå University of Technology, Luleå, Sweden.
    Nikjoo, Dariush
    Department of Engineering Sciences and Mathematics, Luleå University of Technology, Luleå, Sweden.
    Chaxel, Cécile
    Department of Engineering Sciences and Mathematics, Luleå University of Technology, Luleå, Sweden.
    Umeki, Kentaro
    Department of Engineering Sciences and Mathematics, Luleå University of Technology, Luleå, Sweden.
    Sarmad, Shokat
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Mikkola, Jyri-Pekka
    Umeå University, Faculty of Science and Technology, Department of Chemistry. Industrial Chemistry & Reaction Engineering, Johan Gadolin Process Chemistry Centre, Åbo Akademi University, Åbo, Turku, Finland.
    Concina, Isabella
    Department of Engineering Sciences and Mathematics, Luleå University of Technology, Luleå, Sweden.
    Empowering adsorption and photocatalytic degradation of ciprofloxacin on bioi composites: a material-by-design investigation2023In: ACS Omega, E-ISSN 2470-1343, Vol. 8, no 46, p. 44044-44056Article in journal (Refereed)
    Abstract [en]

    Binary and ternary composites of BiOI with NH2-MIL-101(Fe) and a functionalized biochar were synthesized through an in situ approach, aimed at spurring the activity of the semiconductor as a photocatalyst for the removal of ciprofloxacin (CIP) from water. Experimental outcomes showed a drastic enhancement of the adsorption and the equilibrium (which increased from 39.31 mg g-1 of bare BiOI to 76.39 mg g-1 of the best ternary composite in 2 h time), while the kinetics of the process was not significantly changed. The photocatalytic performance was also significantly enhanced, and the complete removal of 10 ppm of CIP in 3 h reaction time was recorded under simulated solar light irradiation for the best catalyst of the investigated batch. Catalytic reactions supported by different materials obeyed different reaction orders, indicating the existence of different mechanisms. The use of scavengers for superoxide anion radicals, holes, and hydroxyl radicals showed that although all these species are involved in CIP photodegradation, the latter play the most crucial role, as also confirmed by carrying out the reaction at increasing pH conditions. A clear correlation between the reduction of BiOI crystallite sizes in the composites, as compared to the bare material, and the material performance as both adsorbers and photocatalyst was identified.

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  • 50.
    Khokarale, Santosh G.
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Bui, Thai Q.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Mikkola, Jyri-Pekka
    Umeå University, Faculty of Science and Technology, Department of Chemistry. Industrial Chemistry and Reaction Engineering, Department of Chemical Engineering, Johan Gadolin Process Chemistry Centre, Åbo Akademi University, Finland.
    One-Pot, Metal-Free Synthesis of Dimethyl Carbonate from CO2 at Room Temperature2020In: Sustainable Chemistry, E-ISSN 2673-4079, Vol. 1, no 3, p. 17p. 298-314Article in journal (Refereed)
    Abstract [en]

    Herein, we report on the metal-free, one-pot synthesis of industrially important dimethyl carbonate (DMC) from molecular CO2 under ambient conditions. In this process, initially the CO2 was chemisorbed through the formation of a switchable ionic liquid (SIL), [DBUH] [CH3CO3], by the interaction of CO2 with an equivalent mixture of organic superbase 1,8-diazabicyclo-[5.4.0]-undec-7-ene (DBU) and methanol. The obtained SIL further reacted with methyl iodide (CH3I) to form DMC. The synthesis was carried out in both dimethyl sulfoxide (DMSO) and methanol. Methanol is preferred, as it not only served as a reagent and solvent in CO2 capture and DMC synthesis, but it also assisted in controlling the side reactions between chemical species such as CH3I and [DBUH]+ cation and increased the yield of DMC. Hence, the use of methanol avoided the loss of captured CO2 and favored the formation of DMC with high selectivity. Under the applied reaction conditions, 89% of the captured CO2 was converted to DMC. DBU was obtained, achieving 86% recovery of its salts formed during the synthesis. Most importantly, in this report we describe a simple and renewable solvent-based process for a metal-free approach to DMC synthesis under industrially feasible reaction conditions.

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