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  • 1.
    Aasa, Jenny
    Stockholm University, Faculty of Science, Department of Environmental Science and Analytical Chemistry.
    Cancer Risk Assessment of Glycidol: Evaluation of a Multiplicative Risk Model for Genotoxic Compounds2018Doctoral thesis, comprehensive summary (Other academic)
    Abstract [en]

    Humans are exposed to chemical compounds in everyday life, both from the environment and from endogenous processes. Some compounds constitute a risk for cancer development. One such compound is glycidol, which is genotoxic and an animal carcinogen. It is the model compound of this work, partly due to its presence in food. Glycidol, often together with 3-monochloropropane-1,2-diol (3-MCPD), occurs in the form of esters particularly in refined cooking oils, which are used in a variety of food products. The esters are hydrolyzed in the gastrointestinal tract to form glycidol (and 3-MCPD).

    The aim of the thesis has been to evaluate an approach for cancer risk estimation of genotoxic carcinogens based on a multiplicative (relative) risk model and genotoxic potency. Further, the aim was to estimate the cancer risk for exposure to glycidol via food. Measurement of the internal doses (concentration × time) of glycidol in the studied biological systems, including humans, has been crucial. Glycidol is electrophilic and forms adducts with nucleophilic sites in proteins and DNA. The doses of glycidol were quantified by mass spectrometry: in vivo from adduct levels to hemoglobin (Hb); in vitro from adducts to cob(I)alamin.

    The first part of the thesis concerns the genotoxic potency (genotoxic response per internal dose) of glycidol, measured in vitro by mutation studies and in vivo by micronuclei as a biomarker for genotoxicity (short-term studies in mice). The results were compared to that of ionizing radiation, used as a standard, to estimate the relative genotoxic potency of glycidol: 10 and 15 rad-equ./mMh from mutations and micronuclei, respectively. No induction of micronuclei was observed for the related compound 3-MCPD.

    Tumor incidence from published carcinogenicity studies of glycidol in mice and rats, together with the measured in vivo doses, was evaluated with the relative cancer risk model. A good agreement between predicted and observed tumor incidence was shown, and no significant difference of the obtained cancer risk coefficients (risk per dose) between mice (5.1 % per mMh) and rats (5.4 % per mMh) was observed. The overall results support that the relative risk coefficient (β) is independent of sex, tumor site, and species, and indicated that it can be transferred also to humans. The doubling dose, expressed as 1/β, is the dose that is required to double the background tumor incidence. The mean of the doubling doses from mice and rats (19 mMh) was assumed valid for risk estimation for humans. Transfer of β of glycidol to rad-equ. via its relative genotoxic potency showed a risk coefficient in agreement with the relative cancer risk coefficient of ionizing radiation.

    In the final work, the lifetime (70 years) in vivo doses of glycidol were calculated from measured Hb adduct levels in blood from 50 children and 12 adults, and compared to the doubling dose. A fivefold variation was observed in the in vivo doses. The estimated lifetime excess cancer risk from glycidol exceeds 1/1000. This is much higher than what is considered as an acceptable risk.

    To conclude, the multiplicative (relative) risk model together with relative genotoxic potency is promising to use in an approach for cancer risk estimation and in line with 3R (reduce-refine-replace) initiatives.

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  • 2.
    Aasa, Jenny
    et al.
    Stockholm University, Faculty of Science, Department of Environmental Science and Analytical Chemistry.
    Törnqvist, Margareta
    Stockholm University, Faculty of Science, Department of Environmental Science and Analytical Chemistry.
    Abramsson-Zetterberg, Lilianne
    Stockholm University, Faculty of Science, Department of Environmental Science and Analytical Chemistry. National Food Agency, Sweden.
    Measurement of micronuclei and internal dose in mice demonstrates that 3-monochloropropane-1,2-diol (3-MCPD) has no genotoxic potency in vivo2017In: Food and Chemical Toxicology, ISSN 0278-6915, E-ISSN 1873-6351, Vol. 109, p. 414-420Article in journal (Refereed)
    Abstract [en]

    In this study 3-monochloropropane-1,2-diol (3-MCPD), a compound that appears as contaminant in refined cooking oils, has been studied with regard to genotoxicity in vivo (mice) with simultaneous measurement of internal dose using state-of-the-art methodologies. Genotoxicity (chromosomal aberrations) was measured by flow cytometry with dual lasers as the frequency of micronuclei in erythrocytes in peripheral blood from BalbC mice intraperitoneally exposed to 3-MCPD (0, 50, 75, 100, 125 mg/kg). The internal doses of 3-MCPD in the mice were calculated from N-(2,3-dihydroxypropyl)-valine adducts to hemoglobin (Hb), quantified at very low levels by high-resolution mass spectrometry.

    Convincing evidence for absence of genotoxic potency in correlation to measured internal doses in the mice was demonstrated, despite relatively high administered doses of 3-MCPD. The results are discussed in relation to another food contaminant that is formed as ester in parallel to 3-MCPD esters in oil processing, i.e. glycidol, which has been studied previously by us in a similar experimental setup. Glycidol has been shown to be genotoxic, and in addition to have ca. 1000 times higher rate of adduct formation compared to that observed for 3-MCPD. The conclusion is that at simultaneous exposure to 3-MCPD and glycidol the concern about genotoxicity would be glycidol.

  • 3.
    Aasa, Jenny
    et al.
    Stockholm University, Faculty of Science, Department of Environmental Science and Analytical Chemistry.
    Törnqvist, Margareta
    Stockholm University, Faculty of Science, Department of Environmental Science and Analytical Chemistry.
    Granath, Fredrik
    Cancer risk estimation of glycidol based on rodent carcinogenicity studies, a multiplicative risk model and in vivo dosimetryManuscript (preprint) (Other academic)
    Abstract [en]

    Here we evaluate a multiplicative (relative) risk model for more reliable cancer risk estimations of genotoxic compounds. According to this model, cancer risk is proportional to background tumor incidence and to internal dose of the genotoxic compound. A relative risk coefficient is considered to be common across species, sex, and tumor sites. The model has previously been shown to be successfully applied to rodent carcinogenicity data for a few genotoxic compounds. The aim of the present study was to evaluate this risk model for glycidol, a common food contaminant. Tumor data from published glycidol carcinogenicity studies in mice and rats were evaluated with the model, using internal doses estimated from hemoglobin adduct measurements in blood of B6C3F1 mice and Sprague Dawley rats treated with glycidol in short-term exposure studies.

    The evaluation demonstrated that the relative risk model is valid for glycidol. A good agreement between predicted and observed tumor incidence was demonstrated in the animals, supporting a relative risk coefficient that is independent of species, sex, and tumor site. There was no significant difference of the risk coefficients between mice (5.1 % per mMh) and rats (7.1 % per mMh) when the internal doses of glycidol were considered. Altogether, this mechanism-based risk model gives a common and more reliable risk coefficient which could be extrapolated to humans via internal dose measurements, and by considering the background cancer incidence.

  • 4.
    Aasa, Jenny
    et al.
    Stockholm University, Faculty of Science, Department of Environmental Science and Analytical Chemistry.
    Vryonidis, Efstathios
    Stockholm University, Faculty of Science, Department of Environmental Science and Analytical Chemistry.
    Abramsson-Zetterberg, Lilianne
    Törnqvist, Margareta
    Stockholm University, Faculty of Science, Department of Environmental Science and Analytical Chemistry.
    Internal dose of glycidol in children and estimation of associated cancer riskManuscript (preprint) (Other academic)
    Abstract [en]

    Children are more susceptible to exposures to harmful compounds compared to adults. Monitoring of the actual exposures in vivo is important to enable risk mitigation actions. The general population, including children, is exposed to the carcinogen glycidol through food. A possible exposure source to glycidol is food containing refined cooking oils where it is present as a process-induced contaminant in the form of fatty acid esters.

    In the present study internal (in vivo) doses of the genotoxic and carcinogenic compound glycidol have been determined in a cohort of 50 children and in a reference group of 12 adults (non-smokers and smokers). The lifetime in vivo doses of glycidol have been calculated from the levels of the hemoglobin (Hb) adduct N-(2,3-dihydroxypropyl)-valine in blood samples from the subjects, demonstrating about a 5-fold variation between the children (71–322 µMh). This variation is likely due to different dietary habits and/or different genotypes/phenotypes of the enzymes involved in the detoxification of glycidol. Data from the adults indicate that the non-smoking subjects are exposed to about the same level as the children, whereas the smoking subjects have about double levels, likely due to the presence of glycidol in tobacco smoke. The estimated exposure to glycidol in the children is higher than those estimated by European Food Safety Authority.

    The calculated relative cancer risk increment due to glycidol exposure demonstrated an unacceptable risk for all subjects. The excess lifetime risk based on the estimated lifetime in vivo doses of glycidol exceeded 1/1000, which should be compared to a generally applied acceptable lifetime risk level of 1/100 000. A small contribution to the internal dose of glycidol from other precursors to the measured Hb adduct, and corresponding contribution to estimated risks from intake of glycidol from food cannot though be excluded.

  • 5.
    Aasa, Jenny
    et al.
    Stockholm University, Faculty of Science, Department of Environmental Science and Analytical Chemistry.
    Vryonidis, Efstathios
    Stockholm University, Faculty of Science, Department of Environmental Science and Analytical Chemistry.
    Abramsson-Zetterberg, Lilianne
    Törnqvist, Margareta
    Stockholm University, Faculty of Science, Department of Environmental Science and Analytical Chemistry.
    Internal Doses of Glycidol in Children and Estimation of Associated Cancer Risk2019In: Toxics, E-ISSN 2305-6304, Vol. 7, no 1, article id 7Article in journal (Refereed)
    Abstract [en]

    The general population is exposed to the genotoxic carcinogen glycidol via food containing refined edible oils where glycidol is present in the form of fatty acid esters. In this study, internal (in vivo) doses of glycidol were determined in a cohort of 50 children and in a reference group of 12 adults (non-smokers and smokers). The lifetime in vivo doses and intakes of glycidol were calculated from the levels of the hemoglobin (Hb) adduct N-(2,3-dihydroxypropyl)valine in blood samples from the subjects, demonstrating a fivefold variation between the children. The estimated mean intake (1.4 mu g/kg/day) was about two times higher, compared to the estimated intake for children by the European Food Safety Authority. The data from adults indicate that the non-smoking and smoking subjects are exposed to about the same or higher levels compared to the children, respectively. The estimated lifetime cancer risk (200/10(5)) was calculated by a multiplicative risk model from the lifetime in vivo doses of glycidol in the children, and exceeds what is considered to be an acceptable cancer risk. The results emphasize the importance to further clarify exposure to glycidol and other possible precursors that could give a contribution to the observed adduct levels.

  • 6.
    Abdel Alim, Richard
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH).
    Formation of Soft Particles in Drop-in Fuels2018Independent thesis Advanced level (degree of Master (Two Years)), 20 credits / 30 HE creditsStudent thesis
    Abstract [en]

    As the mission to the decrease global warming and phase out highly pollutingenvironmental practices globally, regulations including Euro 6 and policies generated by theUnited Nations Framework Convention on Climate Change (UNFCCC) are pushing companiesto be more innovative when it comes to their energy sources. These regulations involve manyfactors related to the cleanliness of the fuel and produced emissions, for example, propertiesof the fuels such as sulfur content, ash content, water content, and resulting emission valuesof Carbon dioxide (CO2) and Nitrogen Oxides (NOx). Furthermore, Sweden has set achallenging target of a fossil-fuel-independent vehicle fleet by 2030 and no net greenhousegasemissions by 2050.One way to cut down on the polluting properties in the fuel, as well as weakening thedependence on fossil fuel based fuel includes utilizing higher blending ratios of biofuels in thetransport sector. This transition to biofuels comes with many challenges to the transportindustry due to higher concentrations of these new fuels leads to clogging of the filters in theengine, as well as, internal diesel injector deposits (IDIDs) that produce injector fouling. Thisclogging of the filters leads to lower performance by the engines which leads to higher repairtimes (uptime) and less time on the road to transport goods. The formation of these softparticles at the root of the clogging issue is a pivotal issue because the precise mechanismsbehind their formation are highly unknown. Scania, a leader in the Swedish automotiveindustry, is very interested in figuring out what mechanisms are the most influential in theformation of these particles in the engine. Understanding the key mechanisms would allowScania to make appropriate adjustments to the fuel or the engines to ensure more time onthe road and less maintenance.There are many conditions known to be possible causes of the formation of softparticles in engines such as water content, ash content, and temperature. After generatingsoft particles using a modified accelerated method, particles were analyzed using infraredtechnology (RTX-FTIR) and a Scanning Electric Microscope (SEM-EDX). Many differentexperiments were performed to be able to make a conclusion as to which mechanisms weremost influential including temperature, time, water, air, and oil. The combination of agingbiofuels (B100, B10, HVO) with metals, and water produced the largest amount of particlesfollowed by aging the biofuels with aged oil, metals, and water. Aging the fuels with aged oilincreased particles, meanwhile the addition of water prevented particle production possiblydue to additives. B100 produced the highest amount of particles when aged with Copper, B10with Brass, and HVO with Iron.

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  • 7.
    Abdi, Adel Hirmand
    KTH, School of Architecture and the Built Environment (ABE), Transport Science, Highway and Railway Engineering.
    Key aspects in winter highway operation and maintenance2010Report (Other academic)
  • 8.
    Adbo, Karina
    et al.
    Linnaeus University, Faculty of Social Sciences, Department of Education.
    Taber, Keith
    University of Cambridge, UK.
    Developing an Understanding of Chemistry: A case study of one Swedish student's rich conceptualisation for making sense of upper secondary school chemistry2014In: International Journal of Science Education, ISSN 0950-0693, E-ISSN 1464-5289, Vol. 36, no 7, p. 1107-1136Article in journal (Refereed)
    Abstract [en]

    In this paper, we report a case study of a 16-year-old Swedish upper secondary student's developing understanding of key concept areas studied in his upper secondary school chemistry course. This study illustrates how the thinking of an individual learner, Jesper, evolves over a school year in response to formal instruction in a particular educational context. Jesper presented a range of ideas, some of which matched intended teaching whilst others were quite inconsistent with canonical chemistry. Of particular interest, research data suggest that his initial alternative conceptions influenced his thinking about subsequent teaching of chemistry subject matter, illustrating how students' alternative conceptions interact with formal instruction. Our findings support the claims of some researchers that alternative conceptions may be stable and tenacious in the context of instruction. Jesper's rich conceptualisation of matter at submicroscopic scales drew upon intuitions about the world that led to teaching being misinterpreted to develop further alternative conceptions. Yet his intuitive thinking also offered clear potential links with canonical scientific concepts that could have been harnessed to channel his developing thinking. These findings support the argument that identifying students' intuitive thinking and how it develops in different instructional contexts can support the development of more effective science pedagogy.

  • 9.
    Adbo, Karina
    et al.
    Linnéuniversitetet, Institutionen för utbildningsvetenskap (UV).
    Taber, Keith
    University of Cambridge, UK.
    Developing an Understanding of Chemistry: A case study of one Swedish student's rich conceptualisation for making sense of upper secondary school chemistry2014In: International Journal of Science Education, ISSN 0950-0693, E-ISSN 1464-5289, Vol. 36, no 7, p. 1107-1136Article in journal (Refereed)
    Abstract [en]

    In this paper, we report a case study of a 16-year-old Swedish upper secondary student's developing understanding of key concept areas studied in his upper secondary school chemistry course. This study illustrates how the thinking of an individual learner, Jesper, evolves over a school year in response to formal instruction in a particular educational context. Jesper presented a range of ideas, some of which matched intended teaching whilst others were quite inconsistent with canonical chemistry. Of particular interest, research data suggest that his initial alternative conceptions influenced his thinking about subsequent teaching of chemistry subject matter, illustrating how students' alternative conceptions interact with formal instruction. Our findings support the claims of some researchers that alternative conceptions may be stable and tenacious in the context of instruction. Jesper's rich conceptualisation of matter at submicroscopic scales drew upon intuitions about the world that led to teaching being misinterpreted to develop further alternative conceptions. Yet his intuitive thinking also offered clear potential links with canonical scientific concepts that could have been harnessed to channel his developing thinking. These findings support the argument that identifying students' intuitive thinking and how it develops in different instructional contexts can support the development of more effective science pedagogy.

  • 10. Adia, Madina Mohamed
    et al.
    Emami, Seyedeh Noushin
    Byamukama, Robert
    Faye, Ingrid
    Borg-Karlson, Anna-Karin
    KTH, School of Chemical Science and Engineering (CHE), Chemistry.
    Antiplasmodial activity and phytochemical analysis of extracts from selected Ugandan medicinal plants2016In: Journal of Ethnopharmacology, ISSN 0378-8741, E-ISSN 1872-7573, Vol. 186, p. 14-19Article in journal (Refereed)
    Abstract [en]

    Ethnopharmacological relevance: Resistance of the parasites to known antimalarial drugs has provided the necessity to find new drugs from natural products against malaria. The aim of the study was to evaluate the in vitro antiplasmodial activity of some plants used by Traditional Medical Practitioners (TMPs) of Prometra and Rukararwe in malaria treatment in Uganda to provide scientific proof of the efficacies claimed by these Herbalists. Materials and methods: The air dried samples of Clerodendrum rotundifolium (leaves), Microglossa pyrifolia (leaves), Momordica foetida (leaves) and Zanthoxylum chalybeum (stem bark) used for malaria treatment by TMPs were successively extracted with ethyl acetate, methanol and water to yield twelve extracts. The extracts were tested against the chloroquine-sensitive (NF54) and chloroquine-resistant (FCR3) Plasmodium falciparum strains in vitro using the micro Mark III test which is based on assessing the inhibition of schizont maturation. A compound A was extracted and purified from the stem bark of Z. chalybeum and its structure was identified and confirmed by spectroscopic methods. Results: Most of the extracts tested (92%) showed an antiplasmodial activity with IC50 < 50 mu g/mL. In spite of successive extractions with different solvents, potent anti-plasmodial activity (IC50 < 5 mu g/mL) was observed in the ethyl acetate, methanol and aqueous extracts of M. pyrifolia and C. rotundifolium. Preferential enrichments of activity into water (IC50 < 15 mu g/mL) and Ethyl acetate (IC50 < 5 mu g/mL) were seen in the case of M. foetida and Z chalybeum respectively. The most active extracts were from C rotundifolium and M. pyrifolia with IC50 values less than 2 mu g/mL. Phytochemical analysis of the extracts revealed the presence of saponins, tannins, flavonoids, alkaloids and cardiac glycocides. Fagaramide isolated from Z chalybeum had a higher activity (IC50 2.85 mu g/mL) against the chloroquine-resistant strain than against the chloroquine-senstive (IC50 16.6 mu g/mL) strain used in the study. Conclusion: The plant extracts analysed in this study presented an average antiplasmodial activity (58%). This study revealed for the first time the antiplasmodial activity of the plant C. rotundofolium. It's the first time the compound fagaramide (N-isobutyl-3-(3,4-methylene dioxyphenyl) - 2E-propenamide) has been isolated from Z. chalybeum as one of the compounds that contribute to the activity of this plant against P. falciparum.

  • 11.
    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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  • 12.
    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.

  • 13.
    Ahlquist, Mårten S. G.
    et al.
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Wang, Ying
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Xue, Liqin
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Sanchez-de-Armas, Rocio
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Proton transfers in first row transition metal complexes2013In: Abstracts of Papers of the American Chemical Society, ISSN 0065-7727, Vol. 245, p. 1381-INOR-Article in journal (Other academic)
  • 14. Aidas, Kestutis
    et al.
    Olsen, Jogvan Magnus H.
    Kongsted, Jacob
    Ågren, Hans
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Photoabsorption of Acridine Yellow and Proflavin Bound to Human Serum Albumin Studied by Means of Quantum Mechanics/Molecular Dynamics2013In: Journal of Physical Chemistry B, ISSN 1520-6106, E-ISSN 1520-5207, Vol. 117, no 7, p. 2069-2080Article in journal (Refereed)
    Abstract [en]

    Attempting to unravel mechanisms in optical probing of proteins, we have performed pilot calculations of two cationic chromophores-acridine yellow and proflavin-located at different binding sites within human serum albumin, including the two primary drug binding sites as well as a heme binding site. The computational scheme adopted involves classical molecular dynamics simulations of the ligands bound to the protein and subsequent linear response polarizable embedding density functional theory calculations of the excitation energies. A polarizable embedding potential consisting of point charges fitted to reproduce the electrostatic potential and isotropic atomic polarizabilities computed individually for every residue of the protein was used in the linear response calculations. Comparing the calculated aqueous solution-to-protein shifts of maximum absorption energies to available experimental data, we concluded that the cationic proflavin chromophore is likely not to bind albumin at its drug binding site I nor at its heme binding site. Although agreement with experimental data could only be obtained in qualitative terms, our results clearly indicate that the difference in optical response of the two probes is due to deprotonation, and not, as earlier suggested, to different binding sites. The ramifications of this finding for design of molecular probes targeting albumin or other proteins is briefly discussed.

  • 15.
    Aigars, Juris
    Stockholm University.
    The role of sediments in the biogeochemical cycles of nutrients in the Gulf of Riga2001Doctoral thesis, comprehensive summary (Other academic)
    Abstract [en]

    The sediment biogeochemistry of C, N, P and biologic silica (BSi) plays an important role in cycling of these elements in aquatic ecosystems. In shallow coastal and estuarine systems, water-sediment nutrient dynamics can influence biological processes (e.g., primary production) in overlying waters.

    The objectives of this study are:

    • characterize C, N, P and BSi geochemistry of the surface sediments in the Gulf of Riga,
    • estimate the spatial distribution, including net flux and sink, for organic C, N and P in the Gulf of Riga,
    • examine if there are any appropriate bulk, regional and/or vertical relationships between the nutrients,
    • examine if nutrient biogeochemistry in surface sediments vary as a response to naturally occurring processes i.e., intensity of sedimentation and bioturbation, oxygen deficiency, variation of temperature

    Spatial and vertical distribution reveals that organic C and N ratio is almost independent of sediment characteristics and location, and exhibit a stable value down the sediment core. Over 90 % of carbon and nitrogen in sediments is organic. In contrast, organic P constitutes less than 50 % of the total phosphorus pool. The organic C:N:P ratio in sediments indicate that N and P are decomposed preferentially to C, whereas P is decomposed preferentially to N. The stable C:N ratio in sediments indicates that preferential N decomposition occurs in water column and/or immediately upon settling at sediment surface. Distribution pattern of BSi suggests that accumulation rate of sediments controls BSi concentration. Although nutrient loading from drainage area increased drastically over the past 100 years, vertical profiles of C, N and BSi show no variation in element concentrations except in the top few centimeters. A corresponding increase of benthic biomass most likely results in low elemental accumulation in these sediments.

    Although Gulf of Riga is one of the most productive areas in the Baltic Sea, seasonal alterations of C and N levels were limited. However, during spring and autumn algae blooms total C and N concentrations increased in the study area. Limited data suggests that burrowing amphipods directly impact the C and N concentrations in the top 2-3 cm of sediments. The vertical distribution of P is more dependent on oxygen concentration, which is largely controlled by bioturbation and sedimentation rates. Moreover, the results suggest that bioturbation is largely responsible for temporal accumulation of inorganic P in surface sediments.

    The low unidirectional fluxes of dissolved inorganic nitrogen (DIN) and dissolved inorganic phosphorus (DIP) in early spring is consistent with low water temperature and poor nutritional quality of experimentally added material. The high water temperature and better nutritional quality of material added in summer, comparatively to winter, resulted in large DIN and DIP fluxes. Moreover, flux experiments under low oxygen conditions and pulse input of large quantities of settling seston suggest that sediment surface might experience lack of oxygen despite availability of oxygen in the overlying water column.

  • 16.
    Ail, Ujwala
    et al.
    Linköping University, Department of Science and Technology, Laboratory of Organic Electronics. Linköping University, Faculty of Science & Engineering.
    Backe, Jakob
    Ligna Energy AB, Kallvindsgatan 5, S-60240 Norrkoping, Sweden.
    Berggren, Magnus
    Linköping University, Department of Science and Technology, Laboratory of Organic Electronics. Linköping University, Faculty of Science & Engineering.
    Crispin, Xavier
    Linköping University, Department of Science and Technology, Laboratory of Organic Electronics. Linköping University, Faculty of Science & Engineering.
    Phopase, Jaywant
    Linköping University, Department of Science and Technology, Laboratory of Organic Electronics. Linköping University, Faculty of Science & Engineering.
    Lignin Functionalized with Catechol for Large-Scale Organic Electrodes in Bio-Based Batteries2023In: ADVANCED ENERGY AND SUSTAINABILITY RESEARCH, ISSN 2699-9412Article in journal (Refereed)
    Abstract [en]

    Lignin, obtained as a waste product in huge quantities from the large-scale cellulose processing industries, holds a great potential to be used as sustainable electrode material for large-scale electroactive energy storage systems. The fixed number of redox-active phenolic groups present within the lignin structure limits the electrochemical performance and the total energy storage capacity of the lignin-based electrodes. Herein, the way to enhance the charge storage capacity of lignin by incorporating additional small catechol molecules into the lignin structure is demonstrated. The catechol derivatives are covalently attached to the lignin via aromatic electrophilic substitution reaction. The increased phenolic groups in all functionalized lignin derivatives notably increase the values of capacitance compared to pristine lignin. Further, solvent fractionation of lignin followed by functionalization using catechol boosts three times the charge capacity of lignin electrode. Herein, a scalable, cost-effective method to enhance the electrochemical performance of lignin electrodes via incorporation of small redox active moieties into the lignin structure is demonstrated. Solvent fractionation of lignin followed by functionalization using catechol increases the charge storage capacity of the lignin-carbon composite electrode by a factor of 3 reaching record high charge capacity above 100 mAh g-1.

  • 17.
    Ail, Ujwala
    et al.
    Linköping University, Department of Science and Technology, Laboratory of Organic Electronics. Linköping University, Faculty of Science & Engineering.
    Phopase, Jaywant
    Linköping University, Department of Science and Technology, Laboratory of Organic Electronics. Linköping University, Faculty of Science & Engineering.
    Nilsson, Jakob
    Ligna Energy AB, Sweden.
    Khan, Zia
    Linköping University, Department of Science and Technology, Laboratory of Organic Electronics. Linköping University, Faculty of Science & Engineering.
    Inganäs, Olle
    Linköping University, Department of Physics, Chemistry and Biology, Electronic and photonic materials. Linköping University, Faculty of Science & Engineering.
    Berggren, Magnus
    Linköping University, Department of Science and Technology, Laboratory of Organic Electronics. Linköping University, Faculty of Science & Engineering.
    Crispin, Xavier
    Linköping University, Department of Science and Technology, Laboratory of Organic Electronics. Linköping University, Faculty of Science & Engineering.
    Effect of Sulfonation Level on Lignin/Carbon Composite Electrodes for Large-Scale Organic Batteries2020In: ACS Sustainable Chemistry and Engineering, E-ISSN 2168-0485, Vol. 8, no 49, p. 17933-17944Article in journal (Refereed)
    Abstract [en]

    The key figure-of-merit for materials in stationary energy storage applications, such as large-scale energy storage for buildings and grids, is the cost per kilo per electrochemical cycle, rather than the energy density. In this regard, forest-based biopolymers such as lignin, are attractive, as they are abundant on Earth. Here, we explored lignin as an electroactive battery material, able to store two electrons per hydroquinone aromatic ring, with the targeted operation in aqueous electrolytes. The impact of the sulfonation level of lignin on the performance of its composite electrode with carbon was investigated by considering three lignin derivatives: lignosulfonate (LS), partially desulfonated lignosulfonate (DSLS), and fully desulfonated lignin (KL, lignin produced by the kraft process). Partial desulfonation helped in better stability of the composite in aqueous media, simultaneously favoring its water processability. In this way, a route to promote ionic conductivity within the lignin/carbon composite electrodes was developed, facilitating the access to the entire bulk of the volumetric electrodes. Electrochemical performance of DSLS/C showed highly dominant Faradaic contribution (66%) towards the total capacity, indicating an efficient mixed ionic-electronic transport within the lignin-carbon phase, displaying a capacity of 38 mAh/g at 0.25 A/g and 69% of capacity retention after 2200 cycles at a rate of 1 A/g.

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  • 18.
    Airey, John
    et al.
    Stockholm University, Faculty of Humanities, Department of Teaching and Learning. Uppsala universitet, Fysikundervisningens didaktik.
    Wikman, Susanne
    Linnéuniversitet.
    Patron, Emelie
    Linnéuniversitet.
    Building Bonds: The role of undergraduate textbooks in teaching and learning chemistry2024Conference paper (Refereed)
    Abstract [en]

    In our project funded by the Swedish Research Council (VR 2022-03125), we are interested in the representation of scientific phenomena that cannot be seen. The question we pose is: How is scientific knowledge mediated when we cannot directly interact with the phenomena in question through our senses?  In the part of the study reported here, we adopted a social semiotic approach (Airey & Linder, 2017; van Leeuwen, 2005), to investigate the ways in which chemical bonds are presented to undergraduate chemistry students in their textbooks. We carried out a semiotic audit (Airey & Erikson, 2019) of the ways in which three undergraduate textbooks represent bonding. We first documented the range of resources used in each textbook, observing that visual resources were the most frequent. We then selected one such central resource—the molecular bonding diagram—for closer analysis. Our analysis began by identifying the disciplinary relevant aspects (Fredlund et al. 2015) of the bonding phenomena that the diagram represents. Thereafter, we analysed the diagram in terms of these disciplinary relevant aspects, attempting to identify semiotic material that did not contribute to making these aspects visible. Finally, based on our analysis, we constructed an idealized teaching sequence, which we suggest could potentially help students to better understand molecular bonding. Going forward we intend to test the usefulness of this sequence with undergraduate chemists.

    References

    Airey, J. (2015). Social Semiotics in Higher Education: Examples from teaching and   learning in undergraduate physics. In In: SACF Singapore-Sweden Excellence   Seminars, Swedish Foundation for International Cooperation in Research in   Higher Education (STINT) , 2015 (pp. 103). 

    Airey, J., & Eriksson, U. (2019). Unpacking the Hertzsprung-Russell diagram: A social   semiotic analysis of the disciplinary and pedagogical affordances of a central   resource in astronomy. Designs for Learning, 11(1), 99-107.

    Airey, J., & Linder, C. (2017). Social Semiotics in University Physics Education. In Multiple Representations in Physics Education (pp. 95-122). Springer, Cham.

    Goodwin, C. (2015). Professional vision. In Aufmerksamkeit: Geschichte-Theorie-  Empirie (pp. 387-425). Wiesbaden: Springer Fachmedien Wiesbaden.

    O’Halloran, K. (2007). Mathematical and scientific forms of knowledge: A systemic   functional multimodal grammatical approach. language, Knowledge and   pedagogy: functional linguistic and sociological perspective, 205-236.

    Patron, E. (2022). Exploring the role that visual representations play when teaching and   learning chemical bonding: An approach built on social semiotics and   phenomenography(Doctoral dissertation, Linnaeus University Press).

     

  • 19.
    Akhlaghi, Shahin
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Polymeric Materials.
    Pourrahimi, Amir Masoud
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Polymeric Materials.
    Hedenqvist, Mikael
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Polymeric Materials.
    Sjöstedt, C.
    Bellander, M.
    Gedde, Ulf
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Polymeric Materials.
    Degradation of carbon-black-filled acrylonitrile butadiene rubber in alternative fuels: Transesterified and hydrotreated vegetable oils2016In: Polymer degradation and stability, ISSN 0141-3910, E-ISSN 1873-2321, Vol. 123, p. 69-79Article in journal (Refereed)
    Abstract [en]

    The deterioration of acrylonitrile butadiene rubber (NBR), a common sealing material in automobile fuel systems, when exposed to rapeseed biodiesel and hydrotreated vegetable oil (HVO) was studied. The fuel sorption was hindered in HVO-exposed rubber by the steric constraints of bulky HVO molecules, but it was promoted in biodiesel-exposed rubber by fuel-driven cavitation in the NBR and by the increase in diffusivity of biodiesel after oxidation. The absence of a tan δ peak of the bound rubber and the appearance of carbon black particles devoid of rubber suggested that the cavitation was made possible in biodiesel-aged rubber by the detachment of bound rubber from particle surfaces. The HVO-exposed NBR showed a small decrease in strain-at-break due to the migration of plasticizer from the rubber, and a small increase in the Young’s modulus due to oxidative crosslinking. A drastic decrease in extensibility and Payne-effect amplitude of NBR on exposure to biodiesel was explained as being due to the damage caused by biodiesel to the continuous network of bound rubber-carbon black. A decrease in the ZnO crystal size with increasing exposure time suggested that the particles are gradually dissolved in the acidic components of oxidized biodiesel. The Zn2+ cations released from the dissolution of ZnO particles in biodiesel promoted the hydrolysis of the nitrile groups of NBR.

  • 20.
    Akhtar, Ahmad Saleem
    et al.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Protein Science, Nano Biotechnology. KTH, Centres, Science for Life Laboratory, SciLifeLab.
    Pinto, Ines Fernandes
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Protein Science, Nano Biotechnology. KTH, Centres, Science for Life Laboratory, SciLifeLab.
    Soares, Ruben R. G.
    KTH, Centres, Science for Life Laboratory, SciLifeLab. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Protein Science, Nano Biotechnology.
    Russom, Aman
    KTH, Centres, Science for Life Laboratory, SciLifeLab. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Protein Science, Nano Biotechnology.
    An integrated centrifugal microfluidic platform for multiplexed colorimetric immunodetection of protein biomarkers in resource-limited settings2021In: Proceedings MicroTAS 2021 - 25th International Conference on Miniaturized Systems for Chemistry and Life Sciences, Chemical and Biological Microsystems Society , 2021, p. 947-948Conference paper (Refereed)
    Abstract [en]

    The up- and down- regulation of inflammatory biomarkers such as cytokines can be indicative of several diseases such as primary cancers and/or metastatic tumors, as well as less serious conditions. For point-of-care clinical applications, the detection of these biomarkers requires a combination of a sensitive assay and multiplexing capabilities, together with fit-for-purpose signal transduction strategies. Here, we report the development of a versatile and cost-effective integrated centrifugal microfluidic platform compatible with resource-limited settings using nanoporous microbeads for immunoaffinity-based profiling of cytokines. With an automated colorimetric readout at the end, the platform allows for profiling of cytokines in < 30 mins.

  • 21.
    Akhtar, Ahmad Saleem
    et al.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Protein Science, Nano Biotechnology. KTH, Centres, Science for Life Laboratory, SciLifeLab.
    Pinto, Ines Fernandes
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Protein Science, Nano Biotechnology. KTH, Centres, Science for Life Laboratory, SciLifeLab.
    Soares, Ruben R. G.
    KTH, Centres, Science for Life Laboratory, SciLifeLab. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Protein Science, Nano Biotechnology.
    Russom, Aman
    KTH, Centres, Science for Life Laboratory, SciLifeLab. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Protein Science, Nano Biotechnology.
    Centrifugal microfluidic platform comprising an array of bead microcolumns for the multiplexed colorimetric quantification of inflammatory biomarkers at the point-of-care2019In: 23rd International Conference on Miniaturized Systems for Chemistry and Life Sciences, MicroTAS 2019, Chemical and Biological Microsystems Society , 2019, p. 1230-1231Conference paper (Refereed)
    Abstract [en]

    The detection of panels of inflammatory biomarkers such as cytokines has potential for the rapid and specific diagnostic of several devastating diseases such as primary cancers and/or metastatic tumors, as opposed to less serious conditions. For point-of-care clinical applications, the detection of these biomarkers requires a combination of pg/mL sensitivities and multiplexing capabilities, coupled with fit-for-purpose signal transduction strategies. Here, we report the development of a versatile centrifugal microfluidic platform combined with nanoporous microbeads for immunoaffinity-based profiling of cytokines. The device allows sample and analyte multiplexing and detection limits below 1 ng/mL were achieved within 30 minutes, using colorimetric detection.

  • 22.
    Akpe, Victor
    et al.
    KTH, School of Engineering Sciences (SCI), Applied Physics.
    Vernet, Erik
    KTH, School of Biotechnology (BIO), Protein Technology.
    Madu, Christian
    Obirai, Joseph C.
    Brismar, Hjalmar
    KTH, School of Engineering Sciences (SCI), Applied Physics, Cell Physics.
    Understanding the Photochemical Pathway of In Vitro Target Delivery of Aluminium Phthalocyanine: A Mechanistic Approach Using Radical Reaction Chemistry2014In: ChemPlusChem, E-ISSN 2192-6506, Vol. 79, no 5, p. 671-679Article in journal (Refereed)
    Abstract [en]

    A classical dye, aluminium phthalocyanine (AlPc), is used to study the photochemical processes involved in the chromophore-assisted laser inactivation technique. Both cell-free and cell-based systems are investigated by novel methods and radical reaction chemistry. Findings on the photochemical pathways in two models representing cell-free and a cell-based systems are reported. In the cell-free system, the unsubstituted, free, fluorescence-active photosensitiser AlPc recovers its fluorescence signal by means of phosphorescence through a reversible photobleaching process. In the cell-based system, photoactivation of substituted AlPc conjugated to an antibody results in the loss of fluorescence signal at the area examined. Reinjection of the AlPc-conjugated antibodies restores the fluorescence signal.

  • 23.
    Alberius, Peter Carl Anders
    et al.
    Procter & Gamble Company.
    Corkery, Robert W.
    Procter & Gamble Company.
    Dye-loaded particles.2007Patent (Other (popular science, discussion, etc.))
    Abstract [en]

    Amorphous particles are provided comprising a homogeneous distribution of one or more dyes encapsulated by an amorphous, siliceous encapsulating agent, wherein the amorphous particle comprises from 3% to 20% dye, by wt. of the particle. [on SciFinder(R)]

  • 24. Alberius, Peter Carl Anders
    et al.
    Corkery, Robert W.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Surface and Corrosion Science. KTH, School of Chemical Science and Engineering (CHE), Chemistry, Physical Chemistry.
    Spray-drying process for the manufacture of dye-loaded particles.2007Patent (Other (popular science, discussion, etc.))
    Abstract [en]

    According to a first aspect of the invention, a process is provided for the prepn. of amorphous particles comprising a homogeneous distribution of one or more dyes encapsulated by an amorphous, siliceous encapsulating agent, the process comprising: (a) providing a precursor of the encapsulating agent in liq. form; (b) providing the one or more dyes in liq. form; (c) mixing the liq. forms; (d) spraying the mixt. to form droplets comprising the one or more dyes and encapsulating agent; and (e) heating the droplets to form the particles comprising the one or more dyes encapsulated by the siliceous encapsulating agent; wherein at least one of the liq. forms provided is aq. and the or each aq. liq. form is acidic. According to a second aspect of the invention, encapsulated dyes made by the process of the first aspect of the invention are provided. [on SciFinder(R)]

  • 25.
    Alberius, Peter Carl Anders
    et al.
    Procter & Gamble Company.
    Corkery, Robert W.
    Procter & Gamble Company.
    Stephens, Alison Fiona.
    Procter & Gamble Company.
    Cosmetic compositions comprising dye-loaded particles.2007Patent (Other (popular science, discussion, etc.))
    Abstract [en]

    According to the invention, a cosmetic compn. is provided comprising: (a) amorphous particles, each amorphous particle comprising a homogeneous distribution of one or more dyes encapsulated by an amorphous, siliceous encapsulating agent, wherein the amorphous particle comprises from 3% to 20%, preferably 5% to 15%, more preferably 8% to 12% dye, by wt. of the particle; (b) a cosmetically acceptable carrier. Silica loaded with tartrazine and other dyes are prepd. Cosmetic compns. such as lipsticks and mascaras are prepd. contg. encapsulated dyes, siloxanes and other ingredients. [on SciFinder(R)]

  • 26.
    Albertsson, Ann-Christine
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Polymer Technology.
    Edlund, Ulrica
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Polymer Technology.
    Wood hydrolysates turned valuable2012In: Abstracts of Papers of the American Chemical Society, ISSN 0065-7727, Vol. 243Article in journal (Other academic)
  • 27.
    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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  • 28.
    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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  • 29.
    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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  • 30. Aldongarov, Anuar
    et al.
    Irgibaeva, Irina
    Hermansson, Kersti
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Ågren, Hans
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Theoretical study on passivation of small CdS clusters2014In: Molecular Physics, ISSN 0026-8976, E-ISSN 1362-3028, Vol. 112, no 5-6, p. 674-682Article in journal (Refereed)
    Abstract [en]

    We use density functional theory quantum chemical calculations to model optical properties of small cadmium sulphide clusters in order to explore the formation of trap states and the possibility to achieve surface passivation. The addition of capping oxygen ions on the surface of the CdS quantum dots is found to passivate the single-bonded Cd atoms. Added Cu ions resulted in the formation of deep trap states for certain locations of the copper impurity, while removal of single-bonded Cd atoms by adding S or SH groups leads to a band gap increase.

  • 31. Alexander, Jan
    et al.
    Benford, Diane
    Boobis, Alan
    Bergman, Åke
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK), Environmental Chemistry.
    Scientific Opinion on Hexabromocyclododecanes (HBCDDs) in Food2011In: EFSA Journal, ISSN 1831-4732, Vol. 9, no 7, p. 2296-Article in journal (Other academic)
    Abstract [en]

    EFSA was asked by the European Commission to deliver a scientific opinion on hexabromocyclododecanes (HBCDDs) in food. HBCDDs are additive flame retardants primarily used in expanded and extruded polystyrene applied as construction and packing materials, and in textiles. Technical HBCDD predominantly consists of three stereoisomers (α-, β- and γ-HBCDD). Also δ- and ε-HBCDD may be present but at very low concentrations. HBCDDs are present in the environment and likewise in biota and in food and feed. Data from the analysis of HBCDDs in 1,914 food samples were provided to EFSA by seven European countries, covering the period from 2000 to 2010. The Panel on Contaminants in the Food Chain (CONTAM Panel) selected α-, β- and γ-HBCDD to be of primary interest. Since all toxicity studies were carried out with technical HBCDD, a risk assessment of individual stereoisomers was not possible. Main targets were the liver, thyroid hormone homeostasis and the reproductive, nervous and immune systems. HBCDDs are not genotoxic. The CONTAM Panel identified neurodevelopmental effects on behaviour as the critical endpoint, and derived a benchmark dose lower confidence limit for a benchmark response of 10 % (BMDL10) of 0.79 mg/kg body weight. Due to the limitations and uncertainties in the current data base, the CONTAM Panel concluded that it was inappropriate to use this BMDL to establish a health based guidance value, and instead used a margin of exposure (MOE) approach for the health risk assessment of HBCDDs. Since elimination characteristics of HBCDDs in animals and humans differ, the Panel used the body burden as starting point for the MOE approach. The CONTAM Panel concluded that current dietary exposure to HBCDDs in the European Union does not raise a health concern. Also additional exposure, particularly of young children, to HBCDDs from house dust is unlikely to raise a health concern

  • 32. Alexander, Jan
    et al.
    Benford, Diane
    Boobis, Alan
    Bergman, Åke
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK), Environmental Chemistry.
    Scientific Opinion on Polybrominated Diphenyl Ethers (PBDEs) in Food2011In: EFSA Journal, ISSN 1831-4732, Vol. 9, no 5, p. 2156-Article in journal (Other academic)
  • 33. Alexander, Jan
    et al.
    Benford, Diane
    Boobis, Alan
    Bergman, Åke
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK), Environmental Chemistry.
    Scientific Opinion on Tetrabromobisphenol A (TBBPA) and its derivatives in food: EFSA Panel on Contaminants in the Food Chain (CONTAM)2011In: EFSA Journal, ISSN 1831-4732, Vol. 9, no 12, p. 2477-Article in journal (Refereed)
    Abstract [en]

    EFSA was asked by the European Commission to deliver a scientific opinion on tetrabromobisphenol A (TBBPA) and its derivatives in food. TBBPA and its derivatives are widely used as flame retardants. TBBPA is primarily used as reactive flame retardant covalently bound to epoxy and polycarbonate resins. TBBPA derivatives are used as either reactive or additive intermediates in polymer manufacture. Data from the analysis of TBBPA in 344 food samples were submitted to EFSA by two European countries (Norway and Spain), covering the period from 2007 to 2010. All samples were in the food group “Fish and other seafood”, and all analytical results were reported as less than the limit of quantification (LOQ) (about 1 ng/g wet weight). Toxicological studies with TBBPA have been carried out using different experimental designs with single or repeated administration during gestation, postnatally or in adulthood. The main target is thyroid hormone homeostasis. TBBPA is not genotoxic. There are no indications that TBBPA might be carcinogenic. The Panel on Contaminants in the Food Chain (CONTAM Panel) identified a lower confidence limit for a benchmark response of 10 % (BMDL10) of 16 mg/kg b.w. reported for changes in thyroid hormones as the critical reference point. Due to the limitations and uncertainties in the database, the CONTAM Panel concluded that it was inappropriate to use this BMDL to establish a health based guidance value, and therefore used a margin of exposure (MOE) approach for the health risk assessment of TBBPA. In view of the large MOEs, the CONTAM Panel concluded that current dietary exposure to TBBPA in the European Union does not raise a health concern. Also exposure of infants via human milk does not raise a health concern. Additional exposure, particularly of young children, to TBBPA from house dust is unlikely to raise a health concern.

  • 34.
    Aljure, Mauricio
    et al.
    KTH, School of Electrical Engineering and Computer Science (EECS).
    Becerra Garcia, Marley
    KTH, School of Electrical Engineering and Computer Science (EECS), Electrical Engineering, Electromagnetic Engineering.
    Karlsson, Mattias
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology, Polymeric Materials.
    Erratum to: Aljure, M.; Becerra, M.; Karlsson, E.M. Streamer inception from ultra-sharp needles in mineral oil based nanofluids2018In: Energies, E-ISSN 1996-1073, Vol. 11, no 11, article id 2900Article in journal (Refereed)
    Abstract [en]

    The authors wish to make the following corrections to their paper [1]: i. On pages 13 and 14, the numbering of references from 17 to 30 is incorrect. References 17 to 30 should be renumbered from the original order below: 17. Liu, Z.; Liu, Q.; Wang, Z.D.; Jarman, P.; Krause, C.; Smith, P.W.R.; Gyore, A. Partial discharge behaviour of transformer liquids and the influence of moisture content. In Proceedings of the 2014 IEEE 18th International Conference on Dielectric Liquids (ICDL), Bled, Slovenia, 29 June–3 July 2014. 18. Yamashita, H.; Yamazawa, K.; Wang, Y.S. The effect of tip curvature on the prebreakdown streamer structure in cyclohexane. IEEE Trans. Dielectr. Electr. Insul. 1998, 5, 396–401. 19. Dumitrescu, L.; Lesaint, O.; Bonifaci, N.; Denat, A.; Notingher, P. Study of streamer inception in cyclohexane with a sensitive charge measurement technique under impulse voltage. J. Electrostat. 2001, 53, 135–146. 20. Pourrahimi, A.M.; Hoang, T.A.; Liu, D.; Pallon, L.K.H.; Gubanski, S.; Olsson, R.T.; Gedde, U.W.; Hedenqvist, M.S. Highly efficient interfaces in nanocomposites based on polyethylene and ZnO nano/hierarchical particles: A novel approach toward ultralow electrical conductivity insulations. Adv. Mater. 2016, 28, 8651–8657. 21. Li, J.; Du, B.; Wang, F.; Yao, W.; Yao, S. The effect of nanoparticle surfactant polarization on trapping depth of vegetable insulating oil-based nanofluids. Phys. Lett. A 2016, 380, 604–608. 22. Aljure, M.; Becerra, M.; Pallon, L.K.H. Electrical conduction currents of a mineral oil-based nanofluid in needle-plane configuration. In Proceedings of the 2016 IEEE Conference on Electrical Insulation and Dielectric Phenomena (CEIDP), Toronto, ON, Canada, 16–19 October 2016; pp. 687–690. 23. Primo, V.A.; Garcia, B.; Albarracin, R. Improvement of transformer liquid insulation using nanodielectric fluids: A review. IEEE Electr. Insul. Mag. 2018, 34, 13–26. 24. Jin, H.; Andritsch, T.; Morshuis, P.H.F.; Smit, J.J. AC breakdown voltage and viscosity of mineral oil based SiO2 nanofluids. In Proceedings of the 2012 Annual Report Conference on Electrical Insulation and Dielectric Phenomena, Montreal, QC, Canada, 14–17 October 2012; pp. 902–905. 25. Jin, H.; Morshuis, P.; Mor, A.R.; Smit, J.J.; Andritsch, T. Partial discharge behavior of mineral oil based nanofluids. IEEE Trans. Dielectr. Electr. Insul. 2015, 22, 2747–2753. 26. Du, Y.; Lv, Y.; Li, C.; Chen, M.; Zhong, Y.; Zhou, J.; Li, X.; Zhou, Y. Effect of semiconductive nanoparticles on insulating performances of transformer oil. IEEE Trans. Dielectr. Electr. Insul. 2012, 19, 770–776. 27. Dung, N.V.; Høidalen, H.K.; Linhjell, D.; Lundgaard, L.E.; Unge, M. Effects of reduced pressure and additives on streamers in white oil in long point-plane gap. J. Phys. D Appl. Phys. 2013, 46, 255501. 28. McCool, J.I. Using the Weibull Distribution; John Wiley &amp; Sons, Inc.: Hoboken, NJ, USA, 2012. 29. Lesaint, O.L.; Top, T.V. Streamer initiation in mineral oil. part I: Electrode surface effect under impulse voltage. IEEE Trans. Dielectr. Electr. Insul. 2002, 9, 84–91. 30. Becerra, M.; Frid, H.; Vázquez, P.A. Self-consistent modeling of laminar electrohydrodynamic plumes from ultra-sharp needles in cyclohexane. Phys. Fluids 2017, 29, 123605. to the following, corrected numbering: 17. Dumitrescu, L.; Lesaint, O.; Bonifaci, N.; Denat, A.; Notingher, P. Study of streamer inception in cyclohexane with a sensitive charge measurement technique under impulse voltage. J. Electrostat. 2001, 53, 135–146. 18. Liu, Z.; Liu, Q.; Wang, Z.D.; Jarman, P.; Krause, C.; Smith, P.W.R.; Gyore, A. Partial discharge behaviour of transformer liquids and the influence of moisture content. In Proceedings of the 2014 IEEE 18th International Conference on Dielectric Liquids (ICDL), Bled, Slovenia, 29 June–3 July 2014. 19. Yamashita, H.; Yamazawa, K.; Wang, Y.S. The effect of tip curvature on the prebreakdown streamer structure in cyclohexane. IEEE Trans. Dielectr. Electr. Insul. 1998, 5, 396–401. 20. Becerra, M.; Frid, H.; Vázquez, P.A. Self-consistent modeling of laminar electrohydrodynamic plumes from ultra-sharp needles in cyclohexane. Phys. Fluids 2017, 29, 123605. 21. Pourrahimi, A.M.; Hoang, T.A.; Liu, D.; Pallon, L.K.H.; Gubanski, S.; Olsson, R.T.; Gedde, U.W.; Hedenqvist, M.S. Highly efficient interfaces in nanocomposites based on polyethylene and ZnO nano/hierarchical particles: A novel approach toward ultralow electrical conductivity insulations. Adv. Mater. 2016, 28, 8651–8657. 22. Li, J.; Du, B.; Wang, F.; Yao, W.; Yao, S. The effect of nanoparticle surfactant polarization on trapping depth of vegetable insulating oil-based nanofluids. Phys. Lett. A 2016, 380, 604–608. 23. Aljure, M.; Becerra, M.; Pallon, L.K.H. Electrical conduction currents of a mineral oil-based nanofluid in needle-plane configuration. In Proceedings of the 2016 IEEE Conference on Electrical Insulation and Dielectric Phenomena (CEIDP), Toronto, ON, Canada, 16–19 October 2016; pp. 687–690. 24. Primo, V.A.; Garcia, B.; Albarracin, R. Improvement of transformer liquid insulation using nanodielectric fluids: A review. IEEE Electr. Insul. Mag. 2018, 34, 13–26. 25. Jin, H.; Andritsch, T.; Morshuis, P.H.F.; Smit, J.J. AC breakdown voltage and viscosity of mineral oil based SiO2 nanofluids. In Proceedings of the 2012 Annual Report Conference on Electrical Insulation and Dielectric Phenomena, Montreal, QC, Canada, 14–17 October 2012; pp. 902–905. 26. Jin, H.; Morshuis, P.; Mor, A.R.; Smit, J.J.; Andritsch, T. Partial discharge behavior of mineral oil based nanofluids. IEEE Trans. Dielectr. Electr. Insul. 2015, 22, 2747–2753. 27. Du, Y.; Lv, Y.; Li, C.; Chen, M.; Zhong, Y.; Zhou, J.; Li, X.; Zhou, Y. Effect of semiconductive nanoparticles on insulating performances of transformer oil. IEEE Trans. Dielectr. Electr. Insul. 2012, 19, 770–776. 28. Dung, N.V.; Høidalen, H.K.; Linhjell, D.; Lundgaard, L.E.; Unge, M. Effects of reduced pressure and additives on streamers in white oil in long point-plane gap. J. Phys. D Appl. Phys. 2013, 46, 255501. 29. McCool, J.I. Using the Weibull Distribution; John Wiley &amp; Sons, Inc.: Hoboken, NJ, USA, 2012. 30. Lesaint, O.L.; Top, T.V. Streamer initiation in mineral oil. part I: Electrode surface effect under impulse voltage. IEEE Trans. Dielectr. Electr. Insul. 2002, 9, 84–91. ii. On the last paragraph of page 9, the last sentence should be changed from: However, the results in [11] also show the consistent increase in the initiation voltage of prebreakdown phenomena in both polarities, as reported in Figure 11. to the following, corrected version: However, the results in [26] also show the consistent increase in the initiation voltage of prebreakdown phenomena in both polarities, as reported in Figure 11. iii. On the last paragraph of page 10, the third sentence should be changed from: Even though the existing hypotheses of the dielectric effect of NPs [8–10] were proposed for blunter electrodes (where charge generation before streamer initiation is less important [30]), they should still apply under the experimental conditions here reported. to the following, corrected version: Even though the existing hypotheses of the dielectric effect of NPs [5,6,16] were proposed for blunter electrodes (where charge generation before streamer initiation is less important [30]), they should still apply under the experimental conditions here reported. The authors would like to apologize for any inconvenience caused to the readers by these changes. The changes do not affect the scientific results. The manuscript will be updated and the original will remain online on the article webpage, with a reference to this Correction.

  • 35.
    Aljure, Mauricio
    et al.
    KTH, School of Electrical Engineering and Computer Science (EECS).
    Becerra Garcia, Marley
    KTH, School of Electrical Engineering and Computer Science (EECS), Electrical Engineering, Electromagnetic Engineering.
    Karlsson, Mattias E.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology, Polymeric Materials.
    Streamer Inception from Ultra-Sharp Needles in Mineral Oil Based Nanofluids2018In: Energies, E-ISSN 1996-1073, Vol. 11, no 8, article id 2064Article in journal (Refereed)
    Abstract [en]

    Positive and negative streamer inception voltages from ultra-sharp needle tips (with tip radii below 0.5 m) are measured in TiO2, SiO2, Al2O3, ZnO and C-60 nanofluids. The experiments are performed at several concentrations of nanoparticles dispersed in mineral oil. It is found that nanoparticles influence positive and negative streamers in different ways. TiO2, SiO2 and Al2O3 nanoparticles increase the positive streamer inception voltage only, whilst ZnO and C-60 nanoparticles augment the streamer inception voltages in both polarities. Using these results, the main hypotheses explaining the improvement in the dielectric strength of the host oil due to the presence of nanoparticles are analyzed. It is found that the water adsorption hypothesis of nanoparticles is consistent with the increments in the reported positive streamer inception voltages. It is also shown that the hypothesis of nanoparticles reducing the electron velocity by hopping transport mechanisms fails to explain the results obtained for negative streamers. Finally, the hypothesis of nanoparticles attaching electrons according to their charging characteristics is found to be consistent with the results hereby presented on negative streamers.

  • 36.
    Alriksson, Björn
    Karlstad University, Faculty of Technology and Science, Department of Chemistry and Biomedical Sciences.
    Ethanol from lignocellulose: Alkali detoxification of dilute-acid spruce hydrolysates2006Licentiate thesis, comprehensive summary (Other scientific)
    Abstract [en]

    Detoxification of dilute-acid lignocellulose hydrolysates by treatment with Ca(OH)2 (overliming) efficiently improves the production of fuel ethanol, but is associated with drawbacks like sugar degradation and CaSO4 precipitation. In factorial designed experiments, in which pH and temperature were varied, dilute-acid spruce hydrolysates were treated with Ca(OH)2, NH4OH or NaOH. The concentrations of sugars and inhibitory compounds were measured before and after the treatments. The fermentability was examined using the yeast Saccharomyces cerevisiae and compared with reference fermentations of synthetic medium without inhibitors. The treatment conditions were evaluated by comparing the balanced ethanol yield, which takes both the degradation of sugars and the ethanol production into account. Treatment conditions resulting in excellent fermentability and minimal sugar degradation were possible to find regardless of whether Ca(OH)2, NH4OH or NaOH was used. Balanced ethanol yields higher than those of the reference fermentations were achieved for hydrolysates treated with all three types of alkali. As expected, treatment with Ca(OH)2 gave rise to precipitated CaSO4. The NH4OH treatments gave rise to a brownish precipitate but the amounts of precipitate formed were relatively small. No precipitate was observed in treatments with NaOH. The possibility that the ammonium ions from the NH4OH treatments gave a positive effect as an extra source of nitrogen during the fermentations was excluded after experiments in which NH4Cl was added to the medium. The findings presented can be used to improve the effectiveness of alkali detoxification of lignocellulose hydrolysates and to minimize problems with sugar degradation and formation of precipitates.

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  • 37.
    Alriksson, Björn
    Karlstad University, Faculty of Technology and Science, Department of Chemistry and Biomedical Sciences.
    Ethanol from lignocellulose: Management of by-products of hydrolysis2009Doctoral thesis, comprehensive summary (Other academic)
    Abstract [en]

    Fuel ethanol can be produced from lignocellulosic materials, such as residues from agriculture and forestry. The polysaccharides of lignocellulose are converted to sugars by hydrolysis and the sugars can then be fermented to ethanol using microorganisms. However, during hydrolysis a wide range of by-products are also generated. By-product formation can affect ethanol yield and productivity. Management of by-products of hydrolysis is therefore important in the development of commercially viable production of cellulosic ethanol.

    Detoxification of inhibitory dilute-acid lignocellulose hydrolysates by treatment with Ca(OH)2 (overliming) efficiently improves the fermentability, but is associated with drawbacks like sugar degradation and CaSO4 precipitation. In factorial designed experiments, in which pH and temperature were varied, dilute-acid spruce hydrolysates were treated with Ca(OH)2, NH4OH or NaOH. The concentrations of sugars and inhibitory compounds were measured before and after the treatments. The fermentability was examined using the yeast Saccharomyces cerevisiae and compared with reference fermentations of synthetic medium without inhibitors. The treatment conditions were evaluated by comparing the balanced ethanol yield, which takes both the degradation of sugars and the ethanol production into account. Treatment conditions resulting in excellent fermentability and minimal sugar degradation were possible to find regardless of whether Ca(OH)2, NH4OH or NaOH was used. Balanced ethanol yields higher than those of the reference fermentations were achieved for hydrolysates treated with all three types of alkali. As expected, treatment with Ca(OH)2 gave rise to precipitated CaSO4. The NH4OH treatments gave rise to a brownish precipitate but the amounts of precipitate formed were relatively small. No precipitate was observed in treatments with NaOH. The findings presented can be used to improve the effectiveness of alkali detoxification of lignocellulose hydrolysates and to minimize problems with sugar degradation and formation of precipitates.

    Overexpression of different S. cerevisiae genes was investigated with the aim to engineer a biocatalyst with increased inhibitor tolerance. Overexpression of YAP1, a gene encoding a transcription factor, conveyed increased resistance to lignocellulose-derived inhibitors as well as to a dilute-acid hydrolysate of spruce.

    Recombinant Aspergillus niger expressing the Hypocrea jecorina endoglucanase Cel7B was cultivated on spent lignocellulose hydrolysate (stillage). The fungus simultaneously removed inhibitors present in the stillage and produced higher amounts of endoglucanase than when it was grown in a standard medium with comparable monosaccharide content. The concept can be applied for on-site production of enzymes in a cellulose-to-ethanol process and facilitate recycling of the stillage stream.

  • 38.
    Alriksson, Björn
    et al.
    RISE, SP – Sveriges Tekniska Forskningsinstitut, SP Processum.
    Eskilsson, Martin
    Holmen, Sweden.
    Johansson, Emma
    RISE, SP – Sveriges Tekniska Forskningsinstitut, SP Processum.
    Lapidot, Shaul
    Melodea, Israel.
    Norström, Markus
    RISE, SP – Sveriges Tekniska Forskningsinstitut.
    Schultz-Eklund, Ola
    Holmen, Sweden .
    Shkedi, Yoram
    Melodea, Israel.
    Svedberg, Anna
    MoRe Research, Sweden.
    Svensson, Stefan
    MoRe Research, Sweden.
    Swerin, Agne
    RISE, SP – Sveriges Tekniska Forskningsinstitut, SP Kemi Material och Ytor, Material och ytteknik.
    Europe’s first pilot facility for cellulose nanocrystals (CNC)2016In: Annual Surface and Materials Chemistry Symposium and Materials for tomorrow (ASMCS 2016), 2016Conference paper (Refereed)
  • 39.
    Alriksson, Björn
    et al.
    Karlstad University, Division for Chemistry.
    Horváth, Ilona Sárvári
    Karlstad University, Division for Chemistry.
    Sjöde, Anders
    Karlstad University, Division for Chemistry.
    Nilvebrant, Nils-Olof
    Karlstad University, Division for Chemistry.
    Jönsson, Leif J
    Karlstad University, Division for Chemistry.
    Ammonium hydroxide detoxification of spruce acid hydrolysates.2005In: Applied Biochemistry and Biotechnology, ISSN 0273-2289, E-ISSN 1559-0291, Vol. 121-124, p. 911-22Article in journal (Refereed)
    Abstract [en]

    When dilute-acid hydrolysates from spruce are fermented to produce ethanol, detoxification is required to make the hydrolysates fermentable at reasonable rates. Treatment with alkali, usually by overliming, is one of the most efficient approaches. Several nutrients, such as ammonium and phosphate, are added to the hydrolysates prior to fermentation. We investigated the use of NH4OH for simultaneous detoxification and addition of nitrogen source. Treatment with NH4OH compared favorably with Ca(OH)2, Mg(OH)2, Ba(OH)2, and NaOH to improve fermentability using Saccharomyces cerevisiae. Analysis of monosaccharides, furan aldehydes, phenols, and aliphatic acids was performed after the different treatments. The NH4OH treatments, performed at pH 10.0, resulted in a substantial decrease in the concentrations of furfural and hydroxymethylfurfural. Under the conditions studied, NH4OH treatments gave better results than Ca(OH)2 treatments. The addition of an extra nitrogen source in the form of NH4Cl at pH 5.5 did not result in any improvement in fermentability that was comparable to NH4OH treatments at alkaline conditions. The addition of CaCl2 or NH4Cl at pH 5.5 after treatment with NH4OH or Ca(OH)2 resulted in poorer fermentability, and the negative effects were attributed to salt stress. The results strongly suggest that the highly positive effects of NH4OH treatments are owing to chemical conversions rather than stimulation of the yeast cells by ammonium ions during the fermentation.

  • 40.
    Alriksson, Björn
    et al.
    Karlstad University, Faculty of Technology and Science, Department of Chemistry and Biomedical Sciences.
    Rose, Shaunita, H
    Department of Microbiology, University of Stellenbosch, South Africa.
    van Zyl, Wilhelm, H
    Department of Microbiology, University of Stellenbosch, South Africa.
    Sjöde, Anders
    Karlstad University, Faculty of Technology and Science, Department of Chemistry and Biomedical Sciences.
    Nilvebrant, Nils-Olof
    STFI-Packforsk AB, Stockholm, Sweden.
    Jönsson, Leif J.
    Karlstad University, Faculty of Technology and Science, Department of Chemistry and Biomedical Sciences.
    Cellulase Production from Spent Lignocellulose Hydrolysates with Recombinant Aspergillus niger.2009In: Applied and Environmental Microbiology, ISSN 0099-2240, E-ISSN 1098-5336, Vol. 75, no 8, p. 2366-2374Article in journal (Refereed)
  • 41.
    Amadei, Damien
    et al.
    Lab Chim & Biol Membranes & Nanoobjets (CBMN), UMR 5248, Univ Bordeaux, Pessac, France.
    Chatzidaki, Maria D.
    Örebro University, School of Science and Technology. Inst Theoret & Phys Chem, Inst Biol Med Chem & Biotechnol, Natl Hellen Res Fdn, Athens, Greece.
    Devienne, Julia
    Lab Chim & Biol Membranes & Nanoobjets (CBMN), UMR 5248, Univ Bordeaux, Pessac, France.
    Monteil, Julien
    Lab Chim & Biol Membranes & Nanoobjets (CBMN), UMR 5248, Univ Bordeaux, Pessac, France.
    Cansell, Maud
    Lab Chim & Biol Membranes & Nanoobjets (CBMN), UMR 5248, Univ Bordeaux, Pessac, France.
    Xenakis, Aristotelis
    Inst Theoret & Phys Chem, Inst Biol Med Chem & Biotechnol, Natl Hellen Res Fdn, Athens, Greece.
    Leal-Calderon, Fernando
    Lab Chim & Biol Membranes & Nanoobjets (CBMN), UMR 5248, Univ Bordeaux, Pessac, France.
    Low shear-rate process to obtain transparent W/O fine emulsions as functional foods2014In: Food Research International, ISSN 0963-9969, E-ISSN 1873-7145, Vol. 62, p. 533-540Article in journal (Refereed)
    Abstract [en]

    Edible transparent emulsions of the water-in-oil (W/O) type are highly sought after and currently not available. In such materials, the water droplets can be advantageously used as reservoirs to encapsulate biologically active hydrophilic substances (minerals, antioxidants, etc.). The emulsions must remain transparent, fluid and kinetically stable to meet consumers' requirements. In this paper, we describe a simple yet versatile process to fabricate food grade transparent W/O emulsions. Our method involves the preparation of coarse emulsions which are submitted to shear under laminar flow conditions to reduce their average droplet size. The process generates negligible heat and consequently, it preserves the integrity of thermally sensitive compounds. The obtained emulsions contain between 5 and 10 wt.% of aqueous droplets whose average droplet size is lower than 200 nm. They are kinetically stable for at least 2 months. Transparency results from the relatively low droplet size and the incorporation in the aqueous phase of hydrophilic solutes that decrease the refractive index mismatch between the two immiscible phases.

  • 42.
    Aminzadeh, Selda
    et al.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology.
    Haghniaz, R.
    Ottenhall, A.
    Sevastyanova, Olena
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology.
    Lindström, E.
    Khademhosseini, A.
    Lignin based hydrogel for the antibacterial applicationManuscript (preprint) (Other academic)
  • 43.
    An, Junxue
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Surface and Corrosion Science.
    Dédinaité, Andra
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Surface and Corrosion Science.
    Nilsson, Anki
    Holgersson, Jan
    Claesson, Per M.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Surface and Corrosion Science.
    Comparison of a Brush-with-Anchor and a Train-of-Brushes Mucin on Poly(methyl methacrylate) Surfaces: Adsorption, Surface Forces, and Friction2014In: Biomacromolecules, ISSN 1525-7797, E-ISSN 1526-4602, Vol. 15, no 4, p. 1515-1525Article in journal (Refereed)
    Abstract [en]

    Interfacial properties of two types of mucins have been investigated at the aqueous solution/poly(methyl methacrylate) (PMMA) interface. One is commercially available bovine submaxillary mucin, BSM, which consists of alternating glycosylated and nonglycosylated regions. The other one is a recombinant mucin-type fusion protein, PSGL-1/mIgG(2b), consisting of a glycosylated mucin part fused to the Fc part of an immunoglobulin. PSGL-1/mIgG(2b) is mainly expressed as a (timer upon production. A quartz crystal microbalance with dissipation was used to study the adsorption of the mucins to PMMA surfaces. The mass of the adsorbed mucin layers, including the adsorbed mucin and water trapped in the layer, was found to be significantly higher for PSGL-1/mIgG(2b) than for BSM. Atomic force microscopy with colloidal probe was employed to study interactions and frictional forces between mucin-coated PMMA surfaces. Purely repulsive forces of steric origin were Observed between PSGL-1/mIgG(2b) mucin layers, whereas a small adhesion was detected between BSM layers and attributed to bridging. Both mucin layers reduced the friction force between PMMA surfaces in aqueous solution. The reduction was, however, significantly more pronounced for PSGL-1/mIgG(2b). The effective friction coefficient between PSGL-1/mIgG(2b)-coated PMMA surfaces is as low as 0.02 at low loads, increasing to 0.24 at the highest load explored, 50 nN. In contrast, a friction coefficient of around 0.7 was obtained between BSM-coated PMMA surfaces. The large differences in interfacial properties for the two mucins are discussed in relation to their structural differences.

  • 44.
    An, Junxue
    et al.
    KTH Royal Institute of Technology, Sweden.
    Liu, Xiaoyan
    KTH Royal Institute of Technology, Sweden.
    Dedinaite, Andra
    RISE - Research Institutes of Sweden, Bioscience and Materials, Chemistry and Materials. KTH Royal Institute of Technology, Sweden.
    Korchagina, Evgeniya
    University of Montreal, Canada.
    Winnik, Francoise M.
    University of Montreal, Canada; National Institute for Materials Science, Japan; University of Helsinki, Finland.
    Claesson, Per M.
    RISE - Research Institutes of Sweden, Bioscience and Materials, Chemistry and Materials. KTH Royal Institute of Technology, Sweden.
    Dedinaite, Andra
    RISE - Research Institutes of Sweden, Bioscience and Materials, Chemistry and Materials. KTH Royal Institute of Technology, Sweden.
    Effect of solvent quality and chain density on normal and frictional forces between electrostatically anchored thermoresponsive diblock copolymer layers2017In: Journal of Colloid and Interface Science, ISSN 0021-9797, E-ISSN 1095-7103, Vol. 487, p. 88-96Article in journal (Refereed)
    Abstract [en]

    Equilibration in adsorbing polymer systems can be very slow, leading to different physical properties at a given condition depending on the pathway that was used to reach this state. Here we explore this phenomenon using a diblock copolymer consisting of a cationic anchor block and a thermoresponsive block of poly(2-isopropyl-2-oxazoline), PIPOZ. We find that at a given temperature different polymer chain densities at the silica surface are achieved depending on the previous temperature history. We explore how this affects surface and friction forces between such layers using the atomic force microscope colloidal probe technique. The surface forces are purely repulsive at temperatures <40 °C. A local force minimum at short separation develops at 40 °C and a strong attraction due to capillary condensation of a polymer-rich phase is observed close to the bulk phase separation temperature. The friction forces decrease in the cooling stage due to rehydration of the PIPOZ chain. A consequence of the adsorption hysteresis is that the friction forces measured at 25 °C are significantly lower after exposure to a temperature of 40 °C than prior to heating, which is due to higher polymer chain density on the surface after heating.

  • 45.
    An, Wei
    et al.
    Brookhaven National Laboratory, USA.
    Baber, Ashleigh E.
    Brookhaven National Laboratory, USA.
    Xu, Fang
    Stony Brook University, USA.
    Soldemo, Markus
    KTH.
    Weissenrieder, Jonas
    KTH.
    Stacchiola, Dario
    Brookhaven National Laboratory, USA.
    Liu, Ping
    Brookhaven National Laboratory, USA.
    Mechanistic Study of CO Titration on CuxO/Cu(111) (x <= 2) Surfaces2014In: ChemCatChem, ISSN 1867-3880, E-ISSN 1867-3899, Vol. 6, no 8, p. 2364-2372Article in journal (Refereed)
    Abstract [en]

    The reducibility of metal oxides is of great importance to their catalytic behavior. Herein, we combined ambient-pressure scanning tunneling microscopy (AP-STM), X-ray photoemission spectroscopy (AP-XPS), and DFT calculations to study the CO titration of CuxO thin films supported on Cu(111) (CuxO/Cu(111)) aiming to gain a better understanding of the roles that the Cu(111) support and surface defects play in tuning catalytic performances. Different conformations have been observed during the reduction, namely, the 44 structure and a recently identified (5-7-7-5) Stone-Wales defects (5-7 structure). The DFT calculations revealed that the Cu(111) support is important to the reducibility of supported CuxO thin films. Compared with the case for the Cu2O(111) bulk surface, at the initial stage CO titration is less favorable on both the 44 and 5-7 structures. The strong CuxO <-> Cu interaction accompanied with the charge transfer from Cu to CuxO is able to stabilize the oxide film and hinder the removal of O. However, with the formation of more oxygen vacancies, the binding between CuxO and Cu(111) is weakened and the oxide film is destabilized, and Cu2O(111) is likely to become the most stable system under the reaction conditions. In addition, the surface defects also play an essential role. With the proceeding of the CO titration reaction, the 5-7 structure displays the highest activity among all three systems. Stone-Wales defects on the surface of the 5-7 structure exhibit a large difference from the 44 structure and Cu2O(111) in CO binding energy, stability of lattice oxygen, and, therefore, the reduction activity. The DFT results agree well with the experimental measurements, demonstrating that by adopting the unique conformation, the 5-7 structure is the active phase of CuxO, which is able to facilitate the redox reaction and the Cu2O/Cu(111)<-> Cu transition.

  • 46. An, Wei
    et al.
    Baber, Ashleigh E.
    Xu, Fang
    Soldemo, Markus
    KTH, School of Information and Communication Technology (ICT), Materials- and Nano Physics, Material Physics, MF.
    Weissenrieder, Jonas
    KTH, School of Information and Communication Technology (ICT), Materials- and Nano Physics, Material Physics, MF.
    Stacchiola, Dario
    Liu, Ping
    Mechanistic Study of CO Titration on CuxO/Cu(111) (x <= 2) Surfaces2014In: ChemCatChem, ISSN 1867-3880, E-ISSN 1867-3899, Vol. 6, no 8, p. 2364-2372Article in journal (Refereed)
    Abstract [en]

    The reducibility of metal oxides is of great importance to their catalytic behavior. Herein, we combined ambient-pressure scanning tunneling microscopy (AP-STM), X-ray photoemission spectroscopy (AP-XPS), and DFT calculations to study the CO titration of CuxO thin films supported on Cu(111) (CuxO/Cu(111)) aiming to gain a better understanding of the roles that the Cu(111) support and surface defects play in tuning catalytic performances. Different conformations have been observed during the reduction, namely, the 44 structure and a recently identified (5-7-7-5) Stone-Wales defects (5-7 structure). The DFT calculations revealed that the Cu(111) support is important to the reducibility of supported CuxO thin films. Compared with the case for the Cu2O(111) bulk surface, at the initial stage CO titration is less favorable on both the 44 and 5-7 structures. The strong CuxO <-> Cu interaction accompanied with the charge transfer from Cu to CuxO is able to stabilize the oxide film and hinder the removal of O. However, with the formation of more oxygen vacancies, the binding between CuxO and Cu(111) is weakened and the oxide film is destabilized, and Cu2O(111) is likely to become the most stable system under the reaction conditions. In addition, the surface defects also play an essential role. With the proceeding of the CO titration reaction, the 5-7 structure displays the highest activity among all three systems. Stone-Wales defects on the surface of the 5-7 structure exhibit a large difference from the 44 structure and Cu2O(111) in CO binding energy, stability of lattice oxygen, and, therefore, the reduction activity. The DFT results agree well with the experimental measurements, demonstrating that by adopting the unique conformation, the 5-7 structure is the active phase of CuxO, which is able to facilitate the redox reaction and the Cu2O/Cu(111)<-> Cu transition.

  • 47. Anderbrant, Olle
    et al.
    Lyons, D. Barry
    Bång, Joakim
    Mid Sweden University, Faculty of Science, Technology and Media, Department of Natural Sciences, Engineering and Mathematics.
    Hedenström, Erik
    Mid Sweden University, Faculty of Science, Technology and Media, Department of Natural Sciences, Engineering and Mathematics.
    Högberg, Hans-Erik
    Mid Sweden University, Faculty of Science, Technology and Media, Department of Natural Sciences, Engineering and Mathematics.
    Sex Pheromone of the Introduced Pine Sawfly, Diprion similis (Diprionidae), Revisited: No Activity of Earlier Reported SynergistsManuscript (preprint) (Other academic)
    Abstract [en]

    Extracts of Diprion similis females were found to contain about 15 ng of the sex pheromone precursor 3,7-dimethylpentadecan-2-ol per female. When analysing the extracts after derivatisation with (2S)-2-acetoxypropionyl chloride, we found that the major stereoisomer in the extract was (2S,3R,7R)-3,7-dimethylpentadecan-2-ol. Also other stereoisomers of 3,7-dimethylpentadecan-2-ol were identified in the extract namely, 1% of (2R,3S,7S) , 0.3% (2R,3R,7R) and 0.4% of (2R,3R,7S). An unknown fifth substance showed an identical spectrum to 3,7-dimethylpentadecan-2-ol, both in SIM and full scan mode. In field tests in Ontario, Canada, the earlier identified main pheromone component, viz. the propanoate of (2S,3R,7R)-3,7-dimethylpentadecan-2-ol, was tested alone and in combination with other stereoisomers, earlier reported to be synergistic. In none of the tests were any synergistic effects detected and the threo four-isomer blend was as attractive as the pure main compound. Thus, one of the few examples of a diprionid sawfly using more than one substance in its sex pheromone could not be confirmed. The results also suggest that monitoring programs can use the more easily synthesized threo-blend without losing efficiency.

  • 48.
    Anderson, Fredrik
    Karlstad University, Faculty of Technology and Science, Department of Chemical Engineering.
    Rheological changes at the air-liquid interface and examining different kind of magnetic needles2015Independent thesis Advanced level (degree of Master (Two Years)), 20 credits / 30 HE creditsStudent thesis
    Abstract [en]

    The main objective in this work was to learn how the instrument, the Interfacial Shear

    Rheometer (ISR400), worked and to investigate how the rheological properties, storage

    modulus (elasticity), G' and loss modulus (viscous), G'', changes when the surface

    pressure at the air-liquid interphase changes. The second objective were to examine the

    different kind of magnetic needles used in the experiments and to conclude which type of

    needle is best for its specific field of analysis.

    It was concluded that the relative heavy needle with mass 70.6 mg and length 50 mm

    was best for systems where the viscous and elastic components are significantly large,

    where the inertia of the needle is not dominant. It also worked of using the heavier needle

    for a system of phospholipids.

    For the hydroxystearic acid (HSA) experiment that were tested on NaCl sub-phase there

    was a clear improvement after switching from the heavy needle (mass 41.5 mg; length 51

    mm) to the relative lighter needle (mass 6.94 mg; length 34.7 mm). The values for the

    dynamic modulus therefore had a better agreement with reference literature.

    A spread layer of class II hydrophobins (HFBII) could be compressed to a surface

    pressure of 46 mNm-1. The G' and G'' values from the frequency sweep were discarded

    because the monolayer turned into a very viscous-like liquid, and the oscillating needle,

    after compression, was kind of stuck in the sub-phase and moved very staggering during

    a frequency sweep.

    The needle comparison experiment with silica particles 10 wt% Bindzil CC30 (BCC30),

    at pH 3.5 was done to see if there was any difference in the sensitivity for the needles at

    the interface which consisted of a pure 10 mM NaCl solution or a 10 mM NaCl solution

    with BCC30 added to it. The differences were negligible in terms of surface tension but

    there was a clear difference between the heavy needle and the light needle, when

    oscillating at higher frequencies (>≈6 rad/s).

    With this study, the understanding of ISR400 has increased largely. Several issues have

    been addressed and the results provide a good basis for further studies within the many

    areas the instrument can be used for. Despite the project's time limit, and the fact that the

    instrument was new and untested where the project was carried out, focus areas were

    prioritized so good results could be achieved within reasonable goals.

    Download full text (pdf)
    Rheological changes
  • 49.
    Andersson, Håkan S.
    et al.
    Linnaeus University, Faculty of Health and Life Sciences, Department of Chemistry and Biomedical Sciences.
    Jacobsson, Erik
    Uppsala University.
    Eriksson, Camilla
    Uppsala University.
    Hedström, Martin
    Lund University.
    Seth, Henrik
    University of Gothenburg.
    McEvoy, Eric G
    Liverpool John Moores University.
    Sundberg, Per
    University of Gothenburg.
    Strand, Malin
    Swedish University of Agricultural Sciences.
    Göransson, Ulf
    Uppsala University.
    Discovery of peptide toxins in ribbon worms: challenging claims of tetrodotoxin production2015Conference paper (Other academic)
  • 50.
    Andersson, Håkan S.
    et al.
    Linnaeus University, Faculty of Health and Life Sciences, Department of Chemistry and Biomedical Sciences.
    Jacobsson, Erik
    Uppsala University.
    Eriksson, Camilla
    Uppsala University.
    Rosengren, K. Johan
    University of Queensland, Australia.
    Andrén, Per
    Uppsala University.
    Strand, Malin
    Swedish agricultural university (SLU).
    Göransson, Ulf
    Uppsala University.
    Discovery of peptide toxins in the bootlace worm, the world's longest animal2015Conference paper (Other academic)
1234567 1 - 50 of 1315
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