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  • 101.
    Broman, Karolina
    et al.
    Umeå University, Faculty of Science and Technology, Department of Science and Mathematics Education.
    Parchmann, Ilka
    IPN Leibniz Institute for Science and Mathematics Education, University of Kiel, Germany.
    Students' application of chemical concepts when solving chemistry problems in different contexts2014In: Chemistry Education Research and Practice, ISSN 1756-1108, Vol. 15, no 4, 516-529 p.Article in journal (Refereed)
    Abstract [en]

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

  • 102.
    Bruce, Carl
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Coating Technology. KTH, School of Engineering Sciences (SCI), Centres, VinnExcellence Center BiMaC Innovation.
    Javakhishvili, Irakli
    Fogelström, Linda
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Coating Technology. KTH, School of Engineering Sciences (SCI), Centres, VinnExcellence Center BiMaC Innovation.
    Carlmark, Anna
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Coating Technology. KTH, School of Engineering Sciences (SCI), Centres, VinnExcellence Center BiMaC Innovation.
    Hvilsted, Søren
    Malmström, Eva
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Coating Technology. KTH, School of Engineering Sciences (SCI), Centres, VinnExcellence Center BiMaC Innovation.
    Well-defined ABA- and BAB-type block copolymers of PDMAEMA and PCL2014In: RSC Advances, ISSN 2046-2069, Vol. 4, no 49, 25809-25818 p.Article in journal (Refereed)
    Abstract [en]

    Triblock copolymers of ABA- and BAB-type consisting of poly(2-(dimethylamino)ethyl methacrylate) (PDMAEMA, A) and poly(epsilon-caprolactone) (PCL, B) have successfully been prepared. PDMAEMA-b-PCL-b-PDMAEMA (ABA) and PCL-b-PDMAEMA-b-PCL (BAB) were synthesised by a combination of ring-opening polymerisation of epsilon-CL, atom transfer radical polymerisation of DMAEMA and end-group conversion, performed through either acylation or azide-alkyne "click" chemistry. All samples were analysed by size exclusion chromatography where it was found that the evaluation of PDMAEMA-containing polymers was difficult due to the thermoresponsivity of PDMAEMA, affecting the solubility of the polymer in the temperature range at which the SEC was operated. From differential scanning calorimetry measurements it was shown that the crystallinity could be altered by changing the order of the blocks; with PDMAEMA as the outer block (ABA), the inherent crystallinity of PCL was destroyed while with PCL as the outer block (BAB), the degree of crystallinity was in the same proximity as for a PCL homopolymer.

  • 103.
    Brömstrup, Torben
    et al.
    KTH, School of Engineering Sciences (SCI), Theoretical Physics, Theoretical & Computational Biophysics.
    Murail, Samuel
    KTH, School of Engineering Sciences (SCI), Theoretical Physics, Theoretical & Computational Biophysics. Inst Pasteur, Grp Recepteurs Canaux, France.
    Lindahl, Erik
    KTH, School of Engineering Sciences (SCI), Theoretical Physics, Theoretical & Computational Biophysics.
    Single-site mutation changes the location of the most favored Desflurane binding site in the GLIC ligand-gated ion channel2012In: Abstract of Papers of the American Chemical Society, ISSN 0065-7727, Vol. 243Article in journal (Other academic)
  • 104.
    Buckland, Philip I.
    Umeå University, Faculty of Arts, Department of historical, philosophical and religious studies, Environmental Archaeology Lab. Umeå University, Faculty of Arts, Humlab.
    SEAD - The Strategic Environmental Archaeology Database. Inter-linking multiproxy environmental data with archaeological investigations and ecology.2013In: CAA2012, Proceedings of the 40th Annual Conference of Computer Applications and Quantitative Methods in Archaeology (CAA), Southampton, England. / [ed] Graeme Earl, Tim Sly, Angeliki Chrysanthi, Patricia Murrieta-Flores, Constantinos Papadopoulos, Iza Romanowska & David Wheatley, Amsterdam, 2013, 320-331 p.Conference paper (Refereed)
    Abstract [en]

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

  • 105.
    Buckland, Philip I
    et al.
    Umeå University, Faculty of Arts, Archaeology and Sami Studies.
    Johan, Olofsson
    Umeå University, Faculty of Arts, Archaeology and Sami Studies.
    Engelmark, Roger
    Umeå University, Faculty of Arts, Archaeology and Sami Studies.
    SEAD: Strategic Environmental Archaeology Database, planning report2006Report (Other academic)
    Abstract [en]

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

  • 106.
    Burks, Terrance
    et al.
    KTH, School of Information and Communication Technology (ICT), Materials- and Nano Physics, Functional Materials, FNM.
    Avila, Marta
    KTH, School of Information and Communication Technology (ICT), Materials- and Nano Physics, Functional Materials, FNM.
    Akhtar, F.
    Department of Materials and Environmental Chemistry, Stockholm University, Stockholm, Sweden.
    Götelid, Mats
    KTH, School of Information and Communication Technology (ICT), Materials- and Nano Physics, Material Physics, MF.
    Lansåker, P. C.
    Department of Engineering Sciences, The Ångström Laboratory, Uppsala University, Uppsala, Sweden.
    Toprak, Muhammet S.
    KTH, School of Information and Communication Technology (ICT), Materials- and Nano Physics, Functional Materials, FNM.
    Muhammed, Mamoun
    KTH, School of Information and Communication Technology (ICT), Materials- and Nano Physics, Functional Materials, FNM.
    Uheida, Abdusalam
    KTH, School of Information and Communication Technology (ICT), Materials- and Nano Physics, Functional Materials, FNM.
    Studies on the adsorption of chromium(VI) onto 3-Mercaptopropionic acid coated superparamagnetic iron oxide nanoparticles2014In: Journal of Colloid and Interface Science, ISSN 0021-9797, E-ISSN 1095-7103, Vol. 425, 36-43 p.Article in journal (Refereed)
    Abstract [en]

    Chromium (Cr) in the form of Cr(VI) is deemed toxic in water due to its mutagenic and carcinogenic properties. For the successful removal of Cr(VI), we demonstrate a novel adsorbent consisting of superparamagnetic iron oxide nanoparticles (SPION) functionalized with 3-Mercaptopropionic acid (3-MPA). Fourier transform infrared spectroscopy (FT-IR) confirmed the functionalization of nanoparticles and presence of sulfonate groups. Batch adsorption experiments showed that the functionalized adsorbent recovered 45 mg of Cr(VI)/g of 3-MPA coated SPION at initial concentration of 50 mg/L aqueous solution at pH 1 with less than 1% of Fe dissolution from SPION. The results from X-ray photoelectron spectroscopy confirmed that Cr(VI) chemisorbed onto the adsorbent. Hence, the XPS spectra did not indicate any reduction of Cr(VI) to Cr(III) upon adsorption. The adsorption data were better fitted for the Freundlich model. Moreover, the Cr(VI) adsorption kinetics on functionalized SPION followed a pseudo-second order rate, revealing chemisorption as the dominant mechanism. The high Cr(VI) removal, rapid adsorption kinetics and stability of adsorbent indicate that 3-MPA coated SPION could be an efficient adsorbent for the removal of Cr(VI).

  • 107. Butchosa, Nria
    et al.
    Brown, Christian
    KTH, School of Biotechnology (BIO), Glycoscience.
    Bulone, Vincent
    KTH, School of Biotechnology (BIO), Glycoscience.
    Berglund, Lars A.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Biocomposites. KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    Zhou, Qi
    KTH, School of Biotechnology (BIO), Glycoscience. KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    Antimicrobial activity of biocomposites based on bacterial cellulose and chitin nanoparticles2012In: Abstract of Papers of the American Chemical Society, ISSN 0065-7727, Vol. 243Article in journal (Other academic)
  • 108.
    Butchosa, Nuria
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology.
    Brown, Christian
    KTH, School of Biotechnology (BIO), Glycoscience.
    Larsson, Per Tomas
    KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    Berglund, Lars A.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Biocomposites. KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    Bulone, Vincent
    KTH, School of Biotechnology (BIO), Glycoscience.
    Zhou, Qi
    KTH, School of Biotechnology (BIO), Glycoscience. KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    Nanocomposites of bacterial cellulose nanofibers and chitin nanocrystals: fabrication, characterization and bactericidal activity2013In: Green Chemistry, ISSN 1463-9262, E-ISSN 1463-9270, Vol. 15, no 12, 3404-3413 p.Article in journal (Refereed)
    Abstract [en]

    An environmentally friendly approach was implemented for the production of nanocomposites with bactericidal activity, using bacterial cellulose (BC) nanofibers and chitin nanocrystals (ChNCs). The antibacterial activity of ChNCs prepared by acid hydrolysis, TEMPO-mediated oxidation or partial deacetylation of a-chitin powder was assessed and the structure of the ChNC nanoparticles was characterized by X-ray diffraction, atomic force microscopy, and solid-state C-13-NMR. The partially deacetylated ChNCs (D-ChNC) showed the strongest antibacterial activity, with 99 +/- 1% inhibition of bacterial growth compared to control samples. Nanocomposites were prepared from BC nanofibers and D-ChNC by (i) in situ biosynthesis with the addition of D-ChNC nanoparticles in the culture medium of Acetobacter aceti, and (ii) post-modification by mixing D-ChNC with disintegrated BC in an aqueous suspension. The structure and mechanical properties of the BC/D-ChNC nanocomposites were characterized by Fourier transform infrared spectroscopy, elemental analysis, field-emission scanning electron microscopy, and an Instron universal testing machine. The bactericidal activity of the nanocomposites increased with the D-ChNC content, with a reduction in bacterial growth by 3.0 log units when the D-ChNC content was 50%. D-ChNC nanoparticles have great potential as substitutes for unfriendly antimicrobial compounds such as heavy metal nanoparticles and synthetic polymers to introduce antibacterial properties to cellulosic materials.

  • 109.
    Butchosa, Nuria
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Biocomposites.
    Leijon, Felicia
    KTH, School of Biotechnology (BIO), Glycoscience.
    Bulone, Vincent
    KTH, School of Biotechnology (BIO), Glycoscience.
    Zhou, Qi
    KTH, School of Biotechnology (BIO), Glycoscience. KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    Enhancing toughness of cellulose nanofibrils through the expression of cellulose-binding modules in plantManuscript (preprint) (Other academic)
  • 110.
    Butchosa, Nuria
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Biocomposites.
    Zhou, Qi
    KTH, School of Biotechnology (BIO), Glycoscience. KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    Water redispersible nanofibrillated cellulose adsorbed with carboxymethyl cellulose2014In: Abstract of Papers of the American Chemical Society, ISSN 0065-7727, Vol. 247, 130-CELL- p.Article in journal (Other academic)
  • 111.
    Cai, Wanzhu
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Biomolecular and Organic Electronics. Linköping University, Faculty of Science & Engineering.
    Musumeci, Chiara
    Linköping University, Department of Physics, Chemistry and Biology, Biomolecular and Organic Electronics. Linköping University, Faculty of Science & Engineering.
    Ajjan, Fátima
    Linköping University, Department of Physics, Chemistry and Biology, Biomolecular and Organic Electronics. Linköping University, Faculty of Science & Engineering.
    Bao, Qinye
    Linköping University, Department of Physics, Chemistry and Biology, Surface Physics and Chemistry. Linköping University, Faculty of Science & Engineering. Key Laboratory of Polar Materials and Devices, Ministry of Education, East China Normal University, Shanghai, China.
    Zaifei, Zaifei
    Linköping University, Department of Physics, Chemistry and Biology, Biomolecular and Organic Electronics. Linköping University, Faculty of Science & Engineering.
    Tang, Zheng
    Linköping University, Department of Physics, Chemistry and Biology, Biomolecular and Organic Electronics. Linköping University, Faculty of Science & Engineering.
    Inganäs, Olle
    Linköping University, Department of Physics, Chemistry and Biology, Biomolecular and Organic Electronics. Linköping University, Faculty of Science & Engineering.
    Self-doped conjugated polyelectrolyte with tuneable work function for effective hole transport in polymer solar cells2016In: Journal of Materials Chemistry A, ISSN 2050-7488, Vol. 4, no 40, 15670-15675 p.Article in journal (Refereed)
    Abstract [en]

    A water-soluble conjugated polyelectrolyte (CPE), PEDOT-S (poly(4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-2-yl-methoxy)-1-butanesulfonic acid)), is demonstrated to be an excellent hole transport material in several polymer solar cells with different donor's HOMO (highest occupied molecular orbital). With a P3TI:PC71BM (poly[6,6′-bis(5′-bromo-3,4′-dioctyl-[2,2′-bithiophen]-5-yl)-1,1′-bis(2-hexyldecyl)-[3,3′-biindolinylidene]-2,2′-dione]:[6,6]-phenyl C71 butyric acid methyl ester) active layer, the device using PEDOT-S as a hole transport layer (HTL) outperforms the PEDOT:PSS-based devices due to an increased FF (fill factor). The devices' current density–voltage characteristics (JV) show that a PEDOT-S layer can operate well with a wide range of thicknesses as well, helped by its high conductivity and decent transparency. With UV-ozone treatment, the work function of the PEDOT-S can increase from 4.9 eV to 5.2 eV. In TQ1:PC71BM (poly[[2,3-bis(3-octyloxyphenyl)-5,8-quinoxalinediyl]-2,5-thiophenediyl]:PC71BM) devices, which have a deeper donor HOMO than P3TI, Voc is improved from 0.81 V to 0.92 V by 7 min UV-ozone treatment, along with a suppressed reverse injection current and increased Jsc (short-circuit current density) and FF. Topography study shows the excellent coating ability of PEDOT-S. Conductive atomic force microscopy (C-AFM) shows the out-of-plane current in PEDOT-S film is one thousand times higher than that in PEDOT:PSS PH 4083 film under the same electric field and has much more uniformly distributed current pathways.

  • 112.
    Cao, Xinrui
    et al.
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Fu, Qiang
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Luo, Yi
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Catalytic activity of Pd-doped Cu nanoparticles for hydrogenation as a single-atom-alloy catalyst2014In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 16, no 18, 8367-8375 p.Article in journal (Refereed)
    Abstract [en]

    The single atom alloy of extended surfaces is known to provide remarkably enhanced catalytic performance toward heterogeneous hydrogenation. Here we demonstrate from first principles calculations that this approach can be extended to nanostructures, such as bimetallic nanoparticles. The catalytic properties of the single-Pd-doped Cu-55 nanoparticles have been systemically examined for H-2 dissociation as well as H atom adsorption and diffusion, following the concept of single atom alloy. It is found that doping a single Pd atom at the edge site of the Cu-55 shell can considerably reduce the activation energy of H-2 dissociation, while the single Pd atom doped at the top site or in the inner layers is much less effective. The H atom adsorption on Cu-55 is slightly stronger than that on the Cu(111) surface; however, a larger nanoparticle that contains 147 atoms could effectively recover the weak binding of the H atoms. We have also investigated the H atom diffusion on the 55-atom nanoparticle and found that spillover of the produced H atoms could be a feasible process due to the low diffusion barriers. Our results have demonstrated that facile H-2 dissociation and weak H atom adsorption could be combined at the nanoscale. Moreover, the effects of doping one more Pd atom on the H-2 dissociation and H atom adsorption have also been investigated. We have found that both the doping Pd atoms in the most stable configuration could independently exhibit their catalytic activity, behaving as two single-atom-alloy catalysts.

  • 113.
    Cao, Zhiguo
    et al.
    POPs Research Center, School of Environment, State Key Joint Laboratory of Environment Simulation and Pollution Control, Tsinghua University, Beijing, China.
    Fiedler, Heidelore
    Chemicals Branch, UNEP/DTIE, Châtelaine (GE), Switzerland.
    Wang, Bin
    POPs Research Center, School of Environment, State Key Joint Laboratory of Environment Simulation and Pollution Control, Tsinghua University, Beijing, China.
    Zhang, Tingting
    POPs Research Center, School of Environment, State Key Joint Laboratory of Environment Simulation and Pollution Control, Tsinghua University, Beijing, China.
    Yu, Gang
    POPs Research Center, School of Environment, State Key Joint Laboratory of Environment Simulation and Pollution Control, Tsinghua University, Beijing, China.
    Huang, Jun
    POPs Research Center, School of Environment, State Key Joint Laboratory of Environment Simulation and Pollution Control, Tsinghua University, Beijing, China.
    Deng, Shubo
    POPs Research Center, School of Environment, State Key Joint Laboratory of Environment Simulation and Pollution Control, Tsinghua University, Beijing, China.
    Economic status as a determinant of national PCDD/PCDF releases and implications for PCDD/PCDF reduction2013In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 91, no 3, 328-335 p.Article in journal (Refereed)
    Abstract [en]

    The annual releases of polychlorinated dibenzo-para-dioxins and polychlorinated dibenzofurans (PCDD/PCDF) from 68 countries/regions were investigated by correlating quantitative emissions with economic status of the nations. The national dioxin/furan inventories were developed using the PCDD/PCDF Standardized Toolldt, which presents the quantitative releases from ten major source groups to five release vectors. The correlation between intensity of PCDDIPCDF release and economic status was discussed and the influence of economic status on composition of five release vectors and ten source groups was studied. As PCDD/PCDF are mainly released from human activities to environmental matrices, release per person (RpP) and release per unit area (RpA) are defined to reflect release burden (Donor) and contamination burden (Receptor), respectively. Based on these two concepts, International PCDD/PCDF Reduction Burden is characterized by burden quotient (BQ) and a calculation model is established. The numbers of countries/regions with high, moderate and low International PCDD/PCDF Reduction Burden were 19,31 and 18, respectively. The information in this paper can be used for politicians to develop legislations to improve International PCDD/PCDF Reduction.

  • 114.
    Carlsson, Henrik
    Stockholm University, Faculty of Science, Department of Environmental Science and Analytical Chemistry. Stockholms Universitet, MMK.
    Development of an adductomic approach to identify electrophiles in vivo through their hemoglobin adducts2016Doctoral thesis, comprehensive summary (Other academic)
    Abstract [en]

    Humans are exposed to electrophilically reactive compounds, both formed endogenously and from exogenous exposure. Such compounds could react and form stable reaction products, adducts, at nucleophilic sites in proteins and DNA. The formation of adducts constitutes a risk for effects, such as cancer and contact allergy, and plays a role in ageing processes. Adducts to proteins offer a possibility to measure electrophilic compounds in vivo.

    Adductomic approaches aim to study the totality of adducts, to specific biomolecules, by mass spectrometric screening. This thesis describes the development and application of an adductomic approach for the screening of unknown adducts to N-terminal valine (Val) in hemoglobin (Hb) by liquid chromatography tandem mass spectrometry (LC/MS/MS).

    The adductomic approach is based on the FIRE procedure, a modified Edman procedure for the analysis of adducts to N-terminal Val in Hb by LC/MS/MS. The adduct screening was performed by stepwise scanning of precursor ions in small mass increments and monitoring four fragments common for derivatives of detached Val adducts, in the multiple reaction monitoring mode. Samples from 12 smokers/nonsmokers were screened with the adductomic approach, and seven previously identified adducts and 19 unknown adducts were detected. A semiquantitative approach was applied for approximate quantification of adduct levels.

    A strategy for identifying unknown Hb adducts using adductome LC/MS/MS data was formulated and applied for the identification of unknown adducts. Identifications were based on the observed m/z of precursor ions and retention times combined with databases and Log P calculations. Hypothesized adducts were generated in vitro for comparison and matching with the corresponding unknown adducts. Five identified adducts correspond to the precursor electrophiles ethyl vinyl ketone (EVK), glyoxal, methylglyoxal, acrylic acid, and 1-octen-3-one. These adducts, except the adducts corresponding to glyoxal and methylglyoxal, have not been observed as protein adducts before.  Probable exposure sources to these electrophiles are diet and/or endogenous formation. The observation of these adducts motivate further studies to evaluate possible contributions to health risks, as well as their potential as biomarkers of exposure.

    The adduct from EVK was quantitatively assessed through different experiments to estimate the daily internal dose (area under the concentration-time-curve, AUC). EVK is about 2 × 103 more reactive than the reference compound acrylamide. The EVK adduct was shown to be unstable, with a relatively short half-life. The daily AUC in humans of EVK was estimated to be about 20 times lower than the corresponding AUC of acrylamide from intake via food.

    To confirm the observation of the detected unknown adducts and obtain a statistical foundation, analysis of unknown adducts were performed in large sets of blood samples (n = 50–120) from human cohorts. The majority of the previously detected unknown adducts were found in all analyzed samples, and the levels of many adducts showed large variations between individuals. The cause and significance of these observed variations are not yet clarified, but are of importance for the directions of future studies.

    In conclusion, a new approach for identification of unknown human exposure to electrophiles was developed and successfully applied. 

  • 115.
    Carlsson, Linn K.
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Coating Technology.
    Boujemaoui, Assya
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology.
    Sehaqui, Houssine
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology.
    Lachini, Mohammad
    Malmström Jonsson, Eva E.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Coating Technology.
    Carlmark, Anna E.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Coating Technology.
    Synthesis and characterization of biocomposites from cellulose nano- and filter papers prepared by ring-opening polymerization of epsilon-caprolactone with titanium based catalyst2012In: Abstract of Papers of the American Chemical Society, ISSN 0065-7727, Vol. 243Article in journal (Other academic)
  • 116. Carrick, C.
    et al.
    Lindström, S.B.
    Larsson, P.T.
    RISE, Innventia.
    Wågberg, L.
    Lightweight, highly compressible, noncrystalline cellulose capsules2014In: Langmuir, ISSN 0743-7463, E-ISSN 1520-5827, Vol. 30, no 26, 7635-6744 p.Article in journal (Refereed)
  • 117.
    Carrick, Christopher
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Fibre Technology.
    Larsson, Per A.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Fibre Technology.
    Brismar, Hjalmar
    KTH, School of Engineering Sciences (SCI), Applied Physics, Cell Physics. KTH, Centres, Science for Life Laboratory, SciLifeLab.
    Aidun, Cyrus
    Wågberg, Lars
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Fibre Technology. KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    Native and functionalized micrometre-sized cellulose capsules prepared by microfluidic flow focusing2014In: RSC Advances, ISSN 2046-2069, Vol. 4, no 37, 19061-19067 p.Article in journal (Refereed)
    Abstract [en]

    Cellulose capsules with average outer and inner radii of approximately 44 mu m and 29 mm respectively were prepared from cellulose dissolved in a mixture of lithium chloride and dimethylacetamide using a microfluidic flow focusing device (MFFD). The MFFD had three inlets where octane oil in a cellulose solution in silicone oil was used to produce a double emulsion containing a cellulose capsule. This technique enables the formation of capsules with a narrow size distribution which can be beneficial for drug delivery or controlled release capsules. In this respect, cellulose is a highly interesting material since it is known to cause no autoimmune reactions when used in contact with human tissue. Furthermore, by controlling the chemical properties of the cellulose, it is possible to trigger a swelling of the capsules and consequentially the release of an encapsulated substance, e. g. a model drug, when the capsule becomes exposed to an external stimulus. To demonstrate this, capsules were functionalized by carboxymethylation to be pH- responsive and to expand approximately 10% when subjected to a change in pH from 3 to 10. The diffusion constant of a model drug, a 4 kDa fluorescently labelled dextran, through the native capsule wall was estimated to be 6.5 X 10(-14) m(2) s(-1) by fitting fluorescence intensity data to Fick's second law.

  • 118.
    Carrick, Christopher
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Fibre Technology.
    Lindström, Stefan B.
    Larsson, Per Tomas
    KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    Wågberg, Lars
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Fibre Technology. KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    Lightweight, Highly Compressible, Noncrystalline Cellulose Capsules2014In: Langmuir, ISSN 0743-7463, E-ISSN 1520-5827, Vol. 30, no 26, 7635-7644 p.Article in journal (Refereed)
    Abstract [en]

    We demonstrate how to prepare extraordinarily deformable, gas-filled, spherical capsules from nonmodified cellulose. These capsules have a low nominal density, ranging from 7.6 to 14.2 kg/m(3), and can be deformed elastically to 70% deformation at 50% relative humidity. No compressive strain-at-break could be detected for these dry cellulose capsules, since they did not rupture even when compressed into a disk with pockets of highly compressed air. A quantitative constitutive model for the large deformation compression of these capsules is derived, including their high-frequency mechanical response and their low-frequency force relaxation, where the latter is governed by the gas barrier properties of the dry capsule. Mechanical testing corroborated these models with good accuracy. Force relaxation measurements at a constant compression rendered an estimate for the gas permeability of air through the capsule wall, calculated to 0.4 mL mu m/m(2) days kPa at 50% relative humidity. These properties taken together open up a large application area for the capsules, and they could most likely be used for applications in compressible, lightweight materials and also constitute excellent model materials for adsorption and adhesion studies.

  • 119.
    Carrick, Christopher
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Fibre Technology.
    Ruda, Marcus
    Pettersson, Bert
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology.
    Larsson, Per Tomas
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Fibre Technology. KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    Wågberg, Lars
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Fibre Technology. KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    Hollow cellulose capsules from CO2 saturated cellulose solutions - Their preparation and characterization2013In: RSC Advances, ISSN 2046-2069, Vol. 3, no 7, 2462-2469 p.Article in journal (Refereed)
    Abstract [en]

    A new material consisting of mm-sized hollow cellulose spheres, for biomedical applications or for the preparation of low weight porous materials has been prepared by a unique solution precipitation (SP) method. The technique is based on three separate steps. In the first step, high molecular mass, non-modified cellulose is dissolved in a suitable solvent. This cellulose solution is then saturated with a suitable gas (CO2 or N2 in the present work) and finally this gas-saturated solution is drop-wise added to a water reservoir. In this step, the cellulose is precipitated and a gas bubble is nucleated in the center of the cellulose sphere. When stored in water, the hollow center is filled with water, indicating that the capsule wall is porous in nature. This was also supported by BET-area measurements as well as by high resolution SEM-images of broken capsule walls. The internal void volume of a capsule was about 5 μl and the wall volume was about 8 μl. It was also established that the properties of the cellulose capsules, i.e. wall and void volume, the specific surface area, the average pore size of the capsule wall, the wall density, and the compressive load capacity could be tuned by the choice of cellulose concentration in the solution before precipitation. The capsule wall volume and void volume were also affected by the choice of gas, the gas pressure and the gas dissolution time during the gas saturation step. The response of the cellulose wall of the prepared capsules to changes in pH and ion concentration in the surrounding solution was also investigated. The swelling-shrinking behavior was further investigated by introducing more charges to the capsule wall, via carboxymethylation of the cellulose. This was achieved by using carboxymethylated cellulose which increased the swelling-shrinking effect. The results show a typical polyelectrolyte gel behavior of the capsule wall and the wet modulus of the cellulose wall was determined to be between 0.09-0.2 MPa depending on the charge of the cellulose in the capsule wall. Furthermore, the freeze dried cellulose spheres had a modulus of 1.9-7.4 MPa, depending on the cellulose concentration during the preparation of the spheres. These cellulose capsules are suitable both for the preparation of porous materials, where these larger spheres are joined together in 3D-shaped materials, and for controlled release where the interior of the capsules is filled with active substances and these substances are released by controlling the pores in the capsule walls.

  • 120.
    Carrick, Christopher
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Fibre Technology.
    Wågberg, Lars
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Fibre Technology.
    Aidun, Cyrus
    Preparation of cellulose capsule: New renewable material based on regenerated cellulose from the LiCl/DMAc solvent system2012In: Abstract of Papers of the American Chemical Society, ISSN 0065-7727, Vol. 243Article in journal (Other academic)
  • 121.
    Carrick, Christopher
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology.
    Wågberg, Lars
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology.
    Larsson, Per A.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology. KTH, School of Engineering Sciences (SCI), Centres, VinnExcellence Center BiMaC Innovation.
    Immunoselective cellulose nanospheres by antibody conjugation2014In: Abstract of Papers of the American Chemical Society, ISSN 0065-7727, Vol. 247, 727-COLL- p.Article in journal (Other academic)
  • 122. Charlène, Reverdy
    et al.
    Sedighi Moghaddam, Maziar
    RISE, SP – Sveriges Tekniska Forskningsinstitut, SP Kemi Material och Ytor, Material och ytteknik.
    Sundin, Mikael
    RISE, SP – Sveriges Tekniska Forskningsinstitut, SP Kemi Material och Ytor, Material och ytteknik.
    Swerin, Agne
    RISE, SP – Sveriges Tekniska Forskningsinstitut, SP Kemi Material och Ytor, Material och ytteknik.
    Superhydrophobic surfaces manufacturing with nanocellulose2016In: N.I.C.E. 2016, The 3rd International Conference on Bioinspired and Biobased Chemistry & Materials, Nice, France, October 16-19, 2016, 2016Conference paper (Refereed)
    Abstract [en]

    Researchers in natural fibers see opportunities in superhydrophobicity for fabrics or paper. The first challenge with natural fiber is their high hydrophilicity when the second is the perpetual search for water born coating  in papermaking. These challenges were overcome by a one pot formulation comprising a latex binder, precipitated calcium carbonate and  fatty acids to give their hydrophobicity to pigments 1.  In this study, we want to go further by replacing the petro-sourced latex with a new kind of fibers that are cellulose nanofibers (CNF).

    Inspired by the Lotus leaf, superhydrophobic surfaces have been a center of interest in the last decade because of their high potential in industry for a variety of applications.  It is seen as the next generation of surface for anti-fouling and corrosive retardant in navy industry but also  in general  anti corrosive materials industry.  Now widely studied , mechanisms for manufacturing superhydrophobicity are well understood. Born from the alliance of low surface energy chemistry and physical structuration of surface, superhydrophobic materials give a water contact angle above 150° and a slidding angle below 10°.

  • 123.
    Chatterjee, S
    et al.
    Swiss Federal Institute for Materials Science and Technology, Empa.
    Wang, J.W.
    National Cheng Kung University, Taiwan.
    Kuo, W.S.
    Feng Chia University, Taiwan.
    Tai, N.H.
    National Tsing Hua University, Hsinchu, Taiwan.
    Salzmann, C.
    University College London, London, UK.
    Li, W.L.
    Hollertz, Rebecca
    Swiss Fed Labs Mat Sci & Technol Empa, Lab Funct Polymers, Switzerland.
    Nüesch, F.
    Chu, B.T.T.
    Mechanical reinforcement and thermal conductivity in expanded graphene nanoplatelets reinforced epoxy composites2012In: Chemical Physics Letters, ISSN 0009-2614, E-ISSN 1873-4448, Vol. 531, 6-10 p.Article in journal (Refereed)
    Abstract [en]

    Influence of reinforcements on mechanical and thermal properties of graphene nanoplatelets/epoxy composites is investigated. Amine functionalized expanded graphene nanoplatelets (EGNPs) were dispersed within epoxy resins using high-pressure processor followed by three roll milling. Functionality on the EGNPs was confirmed with FTIR and micro-Raman spectroscopy. Bending and nano-mechanical testing was performed on the composites. Incorporation of EGNPs improved the flexural modulus and hardness of the composite and increased fracture toughness by up to 60%. Marked improvement was observed in thermal conductivity of the composites reaching 36% at 2 wt.% loading. Functionalized EGNPs exhibited significant improvements indicating favorable interaction at EGNPs/polymer interface.

  • 124.
    Chatzidaki, Maria D.
    Örebro University, School of Science and Technology.
    Formulation and characterization of W/O nano-dispersions for bioactive delivery applications2016Doctoral thesis, comprehensive summary (Other academic)
    Abstract [en]

    The main objective of this study was the formulation of food-grade water-in-oil (W/O) nano-dispersions based mainly on medium or long-chain triglycerides. Two types of dispersions were formulated and structurally compared, namely emulsions and microemulsions. The systems were used as matrices for encapsulating targeted bioactive molecules with specific characteristics such as antioxidants or peptides.

    The structural characterization of the formulated systems was investigated using techniques such as Electron Paramagnetic Resonance (EPR) spectroscopy, Dynamic Light Scattering (DLS), Cryogenic Transmission Electron Microscopy (Cryo-TEM) and Small Angle Xray Scattering (SAXS). The existence of swollen inverse micelles was revealed for the case of microemulsions whereas larger droplets still at the nano-scale were observed for the case of emulsions. Structural differences in the presence of the bioactive molecules or induced by the alteration of components were also observed.

    In order to study the efficacy of the formulations, the proposed loaded systems were assessed either using EPR spectroscopy or Well Diffusion Assay (WDA) depending on the bioactive molecule. It was found that the encapsulated molecules retained their claimed characteristics when encapsulated to the proposed matrices.

    Finally, some of the formulated dispersions were investigated for their behavior under gastrointestinal (GI) conditions. A two-step digestion model using recombinant Dog Gastric Lipase (rDGL) and Porcine Pancreatic Lipase (PPL) was proposed to simulate lipid hydrolysis in humans. The studies revealed significant decrease of the rDGL specific activity in the presence of the microemulsion while in the presence of lower percent of surfactants (case of emulsion) no alterations were observed.

  • 125.
    Chatzidaki, Maria D.
    et al.
    Örebro University, School of Science and Technology. Natl Hellen Res Fdn, Inst Biol Med Chem & Biotechnol, Athens 11635, Greece.
    Arik, Nehir
    Natl Hellen Res Fdn, Inst Biol Med Chem & Biotechnol, Athens 11635, Greece..
    Monteil, Julien
    Univ Bordeaux, CBMN, Lab Chim & Biol Membranes & Nanoobjets, Bordeaux, France..
    Papadimitriou, Vassiliki
    Natl Hellen Res Fdn, Inst Biol Med Chem & Biotechnol, Athens 11635, Greece..
    Leal-Calderon, Fernando
    Univ Bordeaux, CBMN, Lab Chim & Biol Membranes & Nanoobjets, Bordeaux, France..
    Xenakis, Aristotelis
    Natl Hellen Res Fdn, Inst Biol Med Chem & Biotechnol, Athens 11635, Greece.;Univ Orebro, Sch Sci & Technol, MTM Res Ctr, S-31705 Orebro, Sweden..
    Microemulsion versus emulsion as effective carrier of hydroxytyrosol2016In: Colloids and Surfaces B: Biointerfaces, ISSN 0927-7765, E-ISSN 1873-4367, Vol. 137, no 1, 146-151 p.Article in journal (Refereed)
    Abstract [en]

    Two edible Water-in-Oil (W/O) dispersions, an emulsion that remains kinetically stable and a microemulsion which is spontaneously formed, transparent and thermodynamically stable, were developed for potential use as functional foods, due to their ability to be considered as matrices to encapsulate biologically active hydrophilic molecules. Both systems contained Medium Chain Triglycerides (MCT) as the continuous phase and were used as carriers of Hydroxytyrosol (HT), a hydrophilic antioxidant of olive oil. A low energy input fabrication process of the emulsion was implemented. The obtained emulsion contained 1.3% (w/w) of surfactants and 5% (w/w) aqueous phase. The spontaneously formed microemulsion contained 4.9% (w/w) of surfactants and 2% (w/w) aqueous phase. A comparative study in terms of structural characterization of the systems in the absence and presence of HT was carried out. Particle size distribution obtained by Dynamic Light Scattering (DLS) technique and interfacial properties of the surfactants' layer, examined by Electron Paramagnetic Resonance (EPR) spectroscopy indicated the involvement of HT in the surfactant membrane. Finally, the proposed systems were studied for the scavenging activity of the encapsulated antioxidant toward galvinoxyl stable free radical showing a high scavenging activity of HT in both systems.

  • 126.
    Chatzidaki, Maria D.
    et al.
    Örebro University, School of Science and Technology. National Hellenic Research Foundation Institute of Biology Medicinal Chemistry and Biotechnology.
    Eduardo, Mateos-Diaz
    CNRS, UMR7282 Enzymologie Interfaciale et Physiologie de la Lipolyse.
    Leal-Calderon, Fernando
    Polytechnic Institute of Bourdeaux, CBMN.
    Xenakis, Aristotelis
    National Hellenic Research Foundation Institute of Biology Medicinal Chemistry and Biotechnology.
    Carrière, Frédéric
    CNRS, UMR7282 Enzymology at Interfaces and Physiology of Lipolysis.
    Water-in-Oil microemulsions versus emulsions as carriers of hydroxytyrosol: an in vitro gastrointestinal lipolysis study using the pHstat techniqueManuscript (preprint) (Other academic)
  • 127.
    Chatzidaki, Maria D.
    et al.
    Örebro University, School of Science and Technology, Örebro University, Sweden. Natl Hellen Res Fdn, Inst Biol Med Chem & Biotechnol, Athens 11635, Greece.
    Mitsou, Evgenia
    Natl Hellen Res Fdn, Inst Biol Med Chem & Biotechnol, Athens 11635, Greece..
    Yaghmur, Anan
    Univ Copenhagen, Fac Hlth & Med Sci, Dept Pharm, DK-1168 Copenhagen, Denmark..
    Xenakis, Aristotelis
    Natl Hellen Res Fdn, Inst Biol Med Chem & Biotechnol, Athens 11635, Greece.;Univ Orebro, Sch Sci & Technol, MTM Res Ctr, Orebro, 31705, Sweden..
    Papadimitriou, Vassiliki
    Natl Hellen Res Fdn, Inst Biol Med Chem & Biotechnol, Athens 11635, Greece..
    Formulation and characterization of food-grade microemulsions as carriers of natural phenolic antioxidants2015In: Colloids and Surfaces A: Physicochemical and Engineering Aspects, ISSN 0927-7757, E-ISSN 1873-4359, Vol. 483, 130-136 p.Article in journal (Refereed)
    Abstract [en]

    Food-grade W/O microemulsions based on lecithin, caprylic/capric triglycerides, isopropyl myristate, alcohols and water were formulated and structurally characterized to be used as potential carriers of natural food antioxidants. Different well-known food antioxidants including gallic acid, p-hydroxybenzoic acid, protocatechuic acid and tyrosol were successfully encapsulated in the aqueous cores of the microemulsions. A pseudo-ternary phase diagram was constructed to determine the extent of the monophasic area that corresponds to an inverted type microemulsion. Apparent hydrodynamic diameter measurements of empty and loaded microemulsions were performed using dynamic light scattering (DLS) and swollen micelles with diameters smaller than 10 nm were detected. Interfacial properties of the microemulsions were studied by electron paramagnetic resonance (EPR) spectroscopy employing the nitroxide spin probe 5-doxylstearic acid (5-DSA). A small increase in spin probe mobility upon addition of the antioxidants was observed; whereas the rigidity of the surfactants was not affected. Cryogenic transmission electron microscopy (Cryo-TEM) indicated the existence of entangled thread-like reversed micelles. Finally, the investigated phenolics were assessed and compared for their radical scavenging activity using an EPR approach based on free radicals. The encapsulated gallic acid showed the highest antioxidant activity (0.93 mM trolox equivalents) as compared to other antioxidants assessed within the frame of this study.

  • 128.
    Chatzidaki, Maria D.
    et al.
    Örebro University, School of Science and Technology. Institute of Biology Medicinal Chemistry & Biotechnology, NHRF, Athens, Greece.
    Papadimitriou, Konstantinos
    Agricultural University of Athens.
    Alexandraki, Voula
    Agricultural University of Athens.
    Tsirvouli, Eirini
    Institute of Biology Medicinal Chemistry & Biotechnology, NHRF, Athens, Greece.
    Chakim, Zena
    Institute of Biology Medicinal Chemistry & Biotechnology, NHRF, Athens, Greece.
    Ghazal, Aghiad
    University of Copenhagen, Denmark.
    Mortensen, Kell
    University of Copenhagen, Denmark.
    Yaghmur, Anan
    University of Copenhagen, Denmark.
    Salentinig, Stefan
    Swiss Federal Laboratories for Materials Science and Technology, St. Gallen, Switzerland.
    Papadimitriou, Vassiliki
    Institute of Biology Medicinal Chemistry & Biotechnology, NHRF, Athens, Greece.
    Tsakalidou, Effie
    Agricultural University of Athens.
    Xenakis, Aristotelis
    Institute of Biology Medicinal Chemistry & Biotechnology, NHRF, Athens, Greece; Örebro University, Sweden .
    Microemulsions as potential carriers of nisin: effect of composition on the structure and efficacyManuscript (preprint) (Other academic)
  • 129. Chen, Bin
    et al.
    Li, Xin
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Wu, Wenjun
    Zha, Quanzheng
    Xie, Yongshu
    A novel trigeminal zinc porphyrin and corresponding porphyrin monomers for dye-sensitized solar cells2014In: RSC Advances, ISSN 2046-2069, Vol. 4, no 21, 10439-10449 p.Article in journal (Refereed)
    Abstract [en]

    A novel trigeminal zinc porphyrin sensitizer (T) and two zinc porphyrin monomers (M1 and M2) were successfully designed and synthesized. The spectral, electrochemical, and photovoltaic properties of the porphyrin dyes were investigated. Compared with M1, the molecule of M2 has an additional aliphatic n-hexyloxyl chain at the meso-position of the porphyrin framework, and such a structure is favorable for the formation of a compact hydrophobic layer at the TiO2 surface and the retardation of the diffusion of I-3(-) ions into the nanoporous TiO2 electrode, resulting in more effective suppression of the charge recombination process and a higher V-oc. Meanwhile, M2 has larger IPCE values than those of M1, leading to the higher J(sc) value. Thus, the DSSC devices based on M2 demonstrated a relatively high power conversion efficiency of 5.77%, with the J(sc), V-oc and ff values of 13.93 mA cm(-2), 732 mV, and 0.566, respectively. Even though dye T has the highest molar absorption coefficients and multiple binding moieties, the corresponding power conversion efficiency is 2.30%, which is lower than those for M1 and M2. These observations may be ascribed to the low efficiency of the electron injection process caused by the isolation of the LUMOs from the anchoring carboxyl groups in addition to the lowest adsorption amount.

  • 130. Chen, Cheng
    et al.
    Yang, Xichuan
    Cheng, Ming
    Zhang, Fuguo
    Zhao, Jianghua
    Sun, Licheng
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry. KTH, School of Chemical Science and Engineering (CHE), Centres, Centre of Molecular Devices, CMD.
    Highly efficient organic dyes containing a benzopyran ring as a pi-bridge for DSSCs2013In: RSC Advances, ISSN 2046-2069, Vol. 3, no 31, 12688-12693 p.Article in journal (Refereed)
    Abstract [en]

    A series of novel organic dyes containing a benzopyran ring as a p-bridge have been designed and applied in dye-sensitized solar cells (DSSCs). This series of dyes show the excellent DSSCs' performance, due to their efficient light-to-photocurrent conversion in the region from 380 nm to 600 nm, with the highest IPCE values exceeding 90%. Through modification of the donor units, an efficiency as high as 7.5% has been achieved under standard light illumination (AM 1.5G, 100 mW cm(-2)) by the dye CC103.

  • 131. Chen, Guanying
    et al.
    Ohulchanskyy, Tymish Y.
    Kachynski, Aliaksandr
    Ågren, Hans
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Prasad, Paras N.
    Intense Visible and Near-Infrared Upconversion Photoluminescence in Colloidal LiYF4:Er3+ Nanocrystals under Excitation at 1490 nm2011In: ACS NANO, ISSN 1936-0851, Vol. 5, no 6, 4981-4986 p.Article in journal (Refereed)
    Abstract [en]

    We report intense upconversion photoluminescence (PL) In colloidal LiYF4:Er(3+)nanocrystals under excitation with telecom-wavelength at 1490 nm. The intensities of two- and three-photon anti-Stokes upconversion PL bands are higher than or comparable to that of the Stokes emission under excitation with low power density in the range 5-120 W/cm(2). The quantum yield of the uptonversion PL was measured to be as high as similar to 1.2 +/- 0.1%, which is almost 4 times higher than the highest upconversion PL quantum yield reported to date for lanthanide-doped nanocrystals In 100 nm sized hexagonal NaYF4:Yb(3+)20%, Er(3+)2% using excitation at similar to 980 nm. A power dependence study revealed that the intensities of all PL bands have linear dependence on the excitation power density, which was explained by saturation effects in the intermediate energy states.

  • 132. Chenery, S.
    et al.
    Williams, C. T.
    Elliott, T. A.
    Forey, P. L.
    Werdelin, Lars
    Swedish Museum of Natural History, Department of Paleobiology.
    Determination of rare earth elements in biological and mineral apatite by EPMA and LAMP-ICP-MS1996In: Mikrochimica Acta, ISSN 0026-3672, E-ISSN 1436-5073, Vol. 13, no suppl., 259-269 p.Article in journal (Refereed)
  • 133.
    Cheng, Jie
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Surface and Corrosion Science. Tsinghua University, China.
    Pan, Jinshan
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Surface and Corrosion Science.
    Lu, X.
    Micro-galvanic corrosion of cu-ru couple in potassium periodate (KIO4) solution2015In: European Corrosion Congress, EUROCORR 2015, Austrian Society for Metallurgy and Materials (ASMET) , 2015, Vol. 3, 1829-1829 p.Conference paper (Refereed)
  • 134. Cheng, Ming
    et al.
    Yang, Xichuan
    Chen, Cheng
    Zhao, Jianghua
    Tan, Qin
    Sun, Licheng
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry. KTH, School of Chemical Science and Engineering (CHE), Centres, Centre of Molecular Devices, CMD.
    Effect of the acceptor on the performance of dye-sensitized solar cells2013In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 15, no 40, 17452-17459 p.Article in journal (Refereed)
    Abstract [en]

    Three new phenothiazine dyes were designed and synthesized, utilizing different acceptor groups. Upon application to TiO2-based solar cells, the effects of different acceptors on the photophysical and electrochemical properties of the dyes and the solar cell performance are detailed. The introduction of a pyridinium unit or 5-carboxy-1-hexyl-2,3,3-trimethyl-indolium unit into the molecular frame as the acceptor instead of cyano acrylic acid can effectively cause a red shift in the absorption spectra. Applied to DSSCs, the devices sensitized by CM502 with the pyridinium unit as the acceptor show the highest efficiency of 7.3%. The devices fabricated with dye CM501 with cyano acrylic acid as the acceptor exhibited the highest V-oc while for the devices sensitized by the dye CM503 with 5-carboxy-1-hexyl2,3,3- trimethyl-3H-indolium unit as the acceptor, the Voc value was the lowest, at 494 mV. The addition of TBP in the electrolyte can improve the performance of DSSCs fabricated using CM501 and CM502, with the Voc value greatly improved but the J(sc) value slightly decreased. However, with the addition of TBP in the electrolyte, the efficiency of the cells sensitized by CM503 dropped significantly (from 4.9% to 1.0% when 0.1 M TBP was added).

  • 135.
    Chinnasamy, Thiruppathiraja
    et al.
    KTH, School of Biotechnology (BIO), Proteomics and Nanobiotechnology. KTH, Centres, Science for Life Laboratory, SciLifeLab.
    Segerink, Loes I.
    Nystrand, Mats
    Gantelius, Jesper
    KTH, School of Biotechnology (BIO), Proteomics and Nanobiotechnology. KTH, Centres, Science for Life Laboratory, SciLifeLab.
    Andersson Svahn, Helene
    KTH, School of Biotechnology (BIO), Proteomics and Nanobiotechnology. KTH, Centres, Science for Life Laboratory, SciLifeLab.
    Point-of-Care Vertical Flow Allergen Microarray Assay: Proof of Concept2014In: Clinical Chemistry, ISSN 0009-9147, E-ISSN 1530-8561, Vol. 60, no 9, 1209-1216 p.Article in journal (Refereed)
    Abstract [en]

    BACKGROUND: Sophisticated equipment, lengthy protocols, and skilled operators are required to perform protein microarray-based affinity assays. Consequently, novel tools are needed to bring biomarkers and biomarker panels into clinical use in different settings. Here, we describe a novel paper-based vertical flow microarray (VFM) system with a multiplexing capacity of at least 1480 microspot binding sites, colorimetric readout, high sensitivity, and assay time of < 10 min before imaging and data analysis. METHOD: Affinity binders were deposited on nitrocellulose membranes by conventional microarray printing. Buffers and reagents were applied vertically by use of a flow controlled syringe pump. As a clinical model system, we analyzed 31 precharacterized human serum samples using the array system with 10 allergen components to detect specific IgE reactivities. We detected bound analytes using gold nanoparticle conjugates with assay time of <= 10 min. Microarray images were captured by a consumer-grade flatbed scanner. RESULTS: A sensitivity of 1 ng/mL was demonstrated with the VFM assay with colorimetric readout. The reproducibility (CV) of the system was < 14%. The observed concordance with a clinical assay, Immuno-CAP, was R-2 = 0.89 (n = 31). CONCLUSIONS: In this proof-of-concept study, we demonstrated that the VFM assay, which combines features from protein microarrays and paper-based colorimetric systems, could offer an interesting alternative for future highly multiplexed affinity point-of-care testing.

  • 136. Choong, Ferdinand X.
    et al.
    Back, Marcus
    Steiner, Svava E.
    Melican, Keira
    Nilsson, K. Peter R.
    Edlund, Ulrica
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology.
    Richter-Dahlfors, Agneta
    Nondestructive, real-time determination and visualization of cellulose, hemicellulose and lignin by luminescent oligothiophenes2016In: Scientific Reports, ISSN 2045-2322, E-ISSN 2045-2322, Vol. 6, 35578Article in journal (Refereed)
    Abstract [en]

    Enabling technologies for efficient use of the bio-based feedstock are crucial to the replacement of oil-based products. We investigated the feasibility of luminescent conjugated oligothiophenes (LCOs) for non-destructive, rapid detection and quality assessment of lignocellulosic components in complex biomass matrices. A cationic pentameric oligothiophene denoted p-HTEA (pentamer hydrogen thiophene ethyl amine) showed unique binding affinities to cellulose, lignin, hemicelluloses, and cellulose nanofibrils in crystal, liquid and paper form. We exploited this finding using spectrofluorometric methods and fluorescence confocal laser scanning microscopy, for sensitive, simultaneous determination of the structural and compositional complexities of native lignocellulosic biomass. With exceptional photostability, p-HTEA is also demonstrated as a dynamic sensor for real-time monitoring of enzymatic cellulose degradation in cellulolysis. These results demonstrate the use of p-HTEA as a non-destructive tool for the determination of cellulose, hemicellulose and lignin in complex biomass matrices, thereby aiding in the optimization of biomass-converting technologies.

  • 137.
    Chubarova, Elena V.
    et al.
    KTH, School of Engineering Sciences (SCI), Applied Physics, Biomedical and X-ray Physics. Jacobs Univ, Sch Sci & Engn, Germany.
    Dickman, M. H.
    Keita, B.
    Nadjo, L.
    Miserque, F.
    Mifsud, M.
    Arends, I. W. C. E.
    Kortz, U.
    Self-assembly of a heteropolyoxopalladate nanocube: [PdII 13AsV 8O34(OH)6] 8-2008In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 47, no 49, 9542-9546 p.Article in journal (Refereed)
    Abstract [en]

    (Chemical Equation Presented) Not like the others: A molecular palladium oxide cluster was formed by self-assembly of palladium(II) and arsenic(V) using mild reaction conditions. The resulting heteropolypalladate [Pd II 13AsV 8O34(OH) 6]8- has a distorted cubic shape and edge lengths of about 1 nm. The thirteen PdII ions retain four-coordinate square-planar geometry, in marked contrast to all other known discrete polyoxometalates.

  • 138.
    Claesson, Per
    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.
    Meszaros, R.
    Varga, Imre
    Association between Polyelectrolytes and Oppositely Charged Surfactants in Bulk and at Solid/Liquid Interfaces2007In: Colloid Stability and Application in Pharmacy: Volume 3, Weinheim: Wiley-VCH Verlagsgesellschaft, 2007, 337-395 p.Chapter in book (Other academic)
    Abstract [en]

    Mixtures of polyelectrolytes and oppositely charged surfactants find applications in many processes and products that are used in our daily life. Such systems also show many interesting features from a scientific point of view. Due to the combined technological relevance and scientific challenge, considerable research efforts have been made in this area in recent years. This has resulted in new theoretical approaches, the development of simulation methods and new experimental techniques and, of course, a large body of new findings. Together, these efforts have increased the understanding significantly, especially during the last 5 years. This chapter reviews some aspects of this topic, focusing on bulk association and association at solid/liquid interfaces. The review is focused on developments during the 21st century, even though in some cases a historical perspective is also offered.

  • 139.
    Claesson, Per
    et al.
    KTH, Superseded Departments, Chemistry.
    Poptochev, Evgeni
    KTH, Superseded Departments, Chemistry.
    Blomberg, Eva
    KTH, Superseded Departments, Chemistry.
    Surface Forces and Emulsion Stability2004In: Food Emulsions / [ed] Sjöblom, J., Friberg, S. and Larsson, K., New York: Marcel Dekker, 2004, 4, 257-297 p.Chapter in book (Other academic)
  • 140.
    Claesson, Per
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Surface and Corrosion Science.
    Stubenrausch, C
    Krustev, R
    Johansson, I
    Thin Film and Foam Properties of Sugar-Based Surfactants2009In: Sugar-Based Surfactants: Fundamentals and Applications / [ed] Ruiz, Cristóbal Carnero, Boca Raton: Taylor & Francis Group, 2009, 105-152 p.Chapter in book (Other academic)
  • 141.
    Claesson, Per
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Surface and Corrosion Science.
    van der Wal, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Surface and Corrosion Science.
    Fogden, Andrew
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Surface and Corrosion Science.
    New Techniques for Optimization of Particulate Cleaning2007In: Handbook for Cleaning/Decontamination of Surfaces Vol 2 / [ed] I. Johansson, and P. Somasundaran, Amsterdam: Elsevier, 2007, 885-927 p.Chapter in book (Other academic)
  • 142.
    Corkery, Robert W.
    Procter and Gamble, Ross, Ohio, USA.
    A variation on Luzzati's soap phases: Room temperature thermotropic liquid crystals2004In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 6, no 7, 1534-1546 p.Article in journal (Refereed)
    Abstract [en]

    Remarkable room-temp. liq. crystallinity is obsd. for a wide range of metal soaps. Incorporation of satd., mid-chain mono-Me branched C17 fatty acid (mid-chain branched fatty acid) into metal soaps lowers the liq. cryst. transition to below room temp. Soaps of Na, Mg, Al, Ca, Cu, Zn, Sr, Ag, Cd, La, Ce, Tb and Lu were synthesized and characterized via XRD, FTIR, DSC, optical microscopy, d. detns. and other phys. methods. The main room temp. mesophase identified in the soaps here is a liq. cryst. hexagonal columnar phase, 1st described by Luzzati et al. A comparative anal. of the branched soaps with their satd., linear analogs is given. Implications for room temp. columnar soap structure is discussed in terms of the various phys. parameters found for these soaps.

  • 143.
    Corkery, Robert W.
    YKI, Institute for Surface Chemistry, Stockholm, Sweden.
    Aspects of the differential geometry and topology of bicontinuous liquid-crystalline phases2005In: Surfactant Sci. Ser., ISSN 0081-9603, Vol. 127, no Bicontinuous Liquid Crystals, 99-127 p.Article in journal (Refereed)
    Abstract [en]

    A review. This chapter provides a semiformal, though largely qual., look at the mathematics of triply periodic minimal surfaces (TPMS) in relation to bicontinuous and polycontinuous liq. crystals. It is motivated largely by research of Stephen Hyde and others at the Applied Mathematics Department, Australian National University, Canberra, Australia and by the discovery of these TPMS liq. crystal partitions by Kare Larsson and the late Krister Fontell at Lund University. The article is meant to complement the existing, more rigorous papers and provide an introduction to the more fundamental topics of differential geometry and topol. of TPMS. Bicontinuous liq. crystals contain 2 mutually interpenetrating labyrinths sepd. by a hyperbolic partition that is often best described as a triply periodic minimal surface (TPMS). Properties of these surfaces can be broken down into local and global types. Local properties pertain to small, isolated surface patches and include intrinsic measures such as the metric, surface areas, and angles and the Gaussian curvature. The global properties require a look at the surface as a whole, embedded in 3D space. The global measures include parameters such as the Cartesian coordinates, topol., curvature distributions, and overall symmetries. These local and global properties are connected through the Gauss-Bonnet theorem that relates the topol. to the Gaussian curvature. For the simplest TPMS, such as the P, D, and G surfaces, the local Gaussian curvature detd. from small patches of the surface can give information regarding the stability of bicontinuous liq. crystals. For some simpler TPMS, the small surface patches are polygonal (e.g., triangles), according to the various symmetries of the surface. These small 2D surface patches can be built up into the entire 3D surface using various 3D construction algorithms based on symmetries, the same way 3D crystals can be built up from unique atoms. Alternatively these patches can be usefully represented in 2 dimensions by various mappings to the sphere, hyperbolic plane, and complex plane; then built up in those spaces using analogous symmetry operations; and then embedded in 3D space by folding and "gluing" the edges of the 2D representations. The 2D forms of these surfaces offer simple ways of constructing known and novel surfaces, algorithmically, and also explicitly through the Weierstrass parametrization, which gives the exact and explicit (x,y,z) coordinates of the actual minimal surface (not approximates) via the complex plane representation. Armed with this explicit information, modeling the stabilities, phase changes, and other phys. processes involving these minimal surfaces is rigorously quantifiable from a geometric perspective. A novel, topol.-preserving phase transformation between the P, D, and G cubic phases arises directly from the anal. of rhombohedral and tetrahedral distortions of the P, D, and G surfaces using this method. Networks decorating TPMS are of interest for generating and analyzing crystal networks. The simplest networks overlay the polygonally decorated surfaces built up of the fundamental patches. Families of networks can be generated for individual TPMS using supergroup-subgroup symmetry relationships between the decorating tesselation and the underlying symmetry elements of the TPMS itself. Of direct relevance to liq. cryst. mesophases is the set of polycontinuous networks that can be generated on various TPMS. These are generated by commensurately decorating 2D surface representations of TPMS with tree networks. With some well-chosen constraints, folding and gluing operations can result in surfaces decorated by entangled thickets of unconnected networks. In turn, these embedded networks can be used to form tri-, quadra-, octa- and other polycontinuous morphologies, with their resp. mutually interpenetrating labyrinths sepd. by a single triply periodic minimal surface.

  • 144.
    Corkery, Robert W.
    Applied Mathematics Research School of Physical Sciences and Engineering Australian National University, Canberra, Australia.
    Metal organic framework (MOF) liquid crystals: 1D, 2D and 3D ionic coordination polymer structures in the thermotropic mesophases of metal soaps, including alkaline earth, transition metal and lanthanide soaps2008In: Current Opinion in Colloid & Interface Science, ISSN 1359-0294, Vol. 13, no 4, 288-302 p.Article in journal (Refereed)
    Abstract [en]

    aken together, the body of existing literature on metal soap crystal structures and mesophases supports the view that much is to be gained by treating the soaps as metal organic frameworks (MOF's) when relating their structure and liquid crystallinity. We argue that metal soaps mesophases often consist of disordered metal organic (carboxylate) frameworks (MOF's). Metal atoms are linked by bridging carboxylates, and the metal-oxygen networks form semi-flexible rods, chains and sheets of M-O polyhedra within their co-bonded, mesotructured, self-assemblies of lipidic chains. The packing of the molten hydrocarbon chains allows otherwise unconnected MOF networks to coexist as spatially isolated units in the same unit cell. For instance the lamellar phases are true 2D MOF's or layers of 1-D MOF's. The phase transitions can then be regarded as coupled disordering/re-ordering transitions involving rotational and conformational disordering of the hydrocarbon chains balanced with disordering of MOF symmetries, MOF topological transformations, depolymerizations and dimensionality reductions ultimately leading to anisotropic melts. By way of demonstration, thermotropic phase transitions of homologous series of lanthanide soaps are systematically studied using a variety of experimental methods, and the data are used in a topological model for testing the consistency with the MOF concept of metal soap crystal structures and thermotropic: mesophases. Finally, an interpenetrating bicontinuous MOF comprised of SrO6 polyhedral rods is presented as an atomically resolved model for the network topology of the cubic mesophase of strontium soaps. Metal soaps are therefore shown to afford a bridge between liquid crystals and metal organic framework (MOF) materials. 

  • 145.
    Corkery, Robert W.
    et al.
    YKI, Institute for Surface Chemistry, Stockholm, Sweden.
    Blute, Irena A.
    YKI, Institute for Surface Chemistry, Stockholm, Sweden.
    Friberg, Stig E.
    School of Chemistry and Chemical Engineering, Yangzhou University.
    Guo, Rong
    School of Chemistry and Chemical Engineering, Yangzhou University.
    Emulsion Inversion in the PIT Range: Quantitative Phase Variations in a Two-Phase Emulsion2010In: Journal of Chemical and Engineering Data, ISSN 0021-9568, E-ISSN 1520-5134, Vol. 55, no 10, 4471-4475 p.Article in journal (Refereed)
    Abstract [en]

    The phase-inversion temperature (PIT) phenomenon is for the first time given l quantitative treatment for systems having a sufficiently small surfactant content to be limited to two phases at the PIT. The results show that the early opinion of a phase transfer of the surfactant as the major event in the transversal of the temperature range is not entirely correct; the major phenomenon is instead an expulsion of water from the low-temperature aqueous micellar solution. In addition, the results unexpectedly give an indication of the existence of three phases at temperatures beneath the PIT, in spite of the the fact that system consists of only two phases at the actual PIT.

  • 146.
    Corkery, Robert W.
    et al.
    Frito Lay North America INC.
    Feiler, Adam
    Grover, Julie Anne
    Dimelow, Chris
    George, Eapen
    Anti-caking agent for flavored products2010Patent (Other (popular science, discussion, etc.))
    Abstract [en]

    The present invention generally relates to the use of porous particles to control the release of a liquid, such as the release of a flavor in a food product. Liquid components, such as flavorants, are loaded into porous particles to form a composition. The pore diameter, pore tortuosity and loading parameters determine the characteristics of the composition and the release profile of the liquid.

  • 147.
    Corkery, Robert W.
    et al.
    Naturalnano INC.
    Fleischer, Cathy
    Naturalnano INC.
    Polymeric coatings including nanoparticle filler2007Patent (Other (popular science, discussion, etc.))
    Abstract [en]

    Disclosed is a polymeric composite coating including a nanoparticle filler, where the filler may be suitable to alter one or more characteristics of the coating. More particularly, one embodiment of the present invention provides a halloysite nanoparticle filler which has the general configuration of a cylinder or a rolled scroll-like shape, and a polymer protective coating contg. the halloysite nanoparticle or equiv. nanotubular filler. [on SciFinder(R)]

  • 148.
    Corkery, Robert W.
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Surface and Corrosion Science. KTH, School of Chemical Science and Engineering (CHE), Chemistry, Physical Chemistry (closed 20110630).
    Fleischer, Cathy
    Daly, Robert C.
    Polymeric composition, adhesive including nanoparticle filler and composite production.2006Patent (Other (popular science, discussion, etc.))
    Abstract [en]

    Nanoparticle fillers, including a novel halloysite nanoparticle filler, are generally cylindrical or tubular nanoparticles (e.g. rolled scroll-like shape). The filler is effectively employed in a polymer nanoparticle adhesive composite, contg. the halloysite nanoparticle or other equiv. naturally occurring nanotubular filler, in which the advantages of the nanoparticle filler are provided (e.g., reinforcement, flame retardant, etc.) while maintaining or improving mech. performance of the adhesive composite (e.g., adhesive strength and tack). [on SciFinder(R)]

  • 149.
    Corkery, Robert W
    et al.
    Physical Chemistry 1, Center for Chemistry and Chemical Engineering, Lund University.
    Fogden, Andrew
    Physical Chemistry 1, Center for Chemistry and Chemical Engineering, Lund University.
    On the formation and structure of nanometric polyhedral foams: toward the dry limit2008In: Langmuir, ISSN 0743-7463, E-ISSN 1520-5827, Vol. 24, no 18, 10443-10452 p.Article in journal (Refereed)
    Abstract [en]

    High surface area, high porosity, nanometric polygonal silica foams with hierarchically connected and uniformly sized pore systems are reported here. We observe a remarkable increase in foam cell sizes from mesoscopic to macroscopic dimensions upon swelling the self-assembled template with oil. The resultant structures resemble classical macroscopic soap foams and display, among other features, Plateau borders and volume fractions approaching the dry limit of 100%. In well-developed foams of this kind, dimensionally isometric polyhedral cells are connected by relatively short, flat cylindrical mesopores through polyhedral faces and micropores through the walls. For one sample, with approximately 75 nm diameter primary foam cells, we infer three separate sets of cell-connecting mesopores puncturing tetragonal, pentagonal, and hexagonal faces of the component polyhedra. A multiple step model of foam formation is discussed where an organic silica precursor progressively hydrolyzes and condenses as a growing flexible shell from the core-corona interface of oil-swollen triblock copolymer micelles or microemulsion droplets, inducing a clouding phenomena in the otherwise stabilizing poly(ethylene oxide) chains, leading to aggregation, deformation, and jamming to high volume fractions.

  • 150.
    Corkery, Robert W.
    et al.
    YKI, Institute for Surface Chemistry, Stockholm, Sweden.
    Rousseau, Derick
    chool of Nutrition, Ryerson University, Toronto, Ontario, Canada.
    Smith, Paul
    YKI, Institute for Surface Chemistry, Stockholm, Sweden.
    Pink, David A.
    Department of Physics, St. Francis Xavier University, Antigonish, Nova Scotia, Canada.
    Hanna, Charles B.
    Canada, and Department of Physics, Boise State University, Boise, Idaho, USA.
    A case for discotic liquid crystals in molten triglycerides2007In: Langmuir, ISSN 0743-7463, E-ISSN 1520-5827, Vol. 23, no 13, 7241-7246 p.Article in journal (Refereed)
    Abstract [en]

    To date, essentially only two structural models have been proposed and debated in detail for explaining the liquid state order of triglycerides, and both invoke a form of thermotropic liquid crystalline order in triglyceride melts. These are the paralamellar model of Larsson et al. (J. Am. Oil Chem. Soc. 1992, 69, 835) and the nematic model of Cebula et al. (J. Am. Oil Chem Soc. 1992, 69, 130). An alternative discotic model is proposed here that adequately accounts for the broad small-angle X-ray diffraction peak often observed in the liquid state of fats and oils. In this alternative model, triglyceride molecules exist in the liquid state with fully splayed chains, approximating "Y"-shapes (Y-conformers). These are loosely bound within discs that stack into flexible, relatively short cylindrical rods of colloidal dimension, which in turn assemble into rod-packings with short-range order akin to disordered versions of thermotropic discotic liquid crystalline phases in other lipidic systems.

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