| 1. |
- Elf, Patric, et al.
(författare)
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Molecular Dynamics Simulations of Cellulose and Dialcohol Cellulose under Dry and Moist Conditions
- 2023
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Ingår i: Biomacromolecules. - : American Chemical Society (ACS). - 1525-7797 .- 1526-4602. ; 24:6, s. 2706-2720
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Tidskriftsartikel (refereegranskat)abstract
- The development of wood-based thermoplastic polymers that can replace synthetic plastics is of high environmental importance, and previous studies have indicated that cellulose-rich fiber containing dialcohol cellulose (ring-opened cellulose) is a very promising candidate material. In this study, molecular dynamics simulations, complemented with experiments, were used to investigate how and why the degree of ring opening influences the properties of dialcohol cellulose, and how temperature and presence of water affect the material properties. Mechanical tensile properties, diffusion/mobility-related properties, densities, glass-transition temperatures, potential energies, hydrogen bonds, and free volumes were simulated for amorphous cellulosic materials with 0-100% ring opening, at ambient and high (150 °C) temperatures, with and without water. The simulations showed that the impact of ring openings, with respect to providing molecular mobility, was higher at high temperatures. This was also observed experimentally. Hence, the ring opening had the strongest beneficial effect on “processability” (reduced stiffness and strength) above the glass-transition temperature and in wet conditions. It also had the effect of lowering the glass-transition temperature. The results here showed that molecular dynamics is a valuable tool in the development of wood-based materials with optimal thermoplastic properties.
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| 2. |
- Árnason, Úlfur, et al.
(författare)
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Whole-genome sequencing of the blue whale and other rorquals finds signatures for introgressive gene flow
- 2018
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Ingår i: Science Advances. - : American Association for the Advancement of Science (AAAS). - 2375-2548. ; 4:4
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Tidskriftsartikel (refereegranskat)abstract
- Reconstructing the evolution of baleen whales (Mysticeti) has been problematic because morphological and genetic analyses have produced different scenarios. This might be caused by genomic admixture that May have taken place among some rorquals. We present the genomes of six whales, including the blue whale (Balaenoptera musculus), to reconstruct a species tree of baleen whales and to identify phylogenetic conflicts. Evolutionary multilocus analyses of 34,192 genome fragments reveal a fast radiation of rorquals at 10.5 to 7.5 million years ago coinciding with oceanic circulation shifts. The evolutionarily enigmatic gray whale (Eschrichtius robustus) is placed among rorquals, and the blue whale genome shows a high degree of heterozygosity. The nearly equal frequency of conflicting gene trees suggests that speciation of rorqual evolution occurred under gene flow, which is best depicted by evolutionary networks. Especially in marine environments, sympatric speciation might be common; our results raise questions about how genetic divergence can be established.
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| 3. |
- Asem, Heba, 1987-, et al.
(författare)
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Functional nano-carriers for drug delivery by surface engineering of polymeric nanoparticles post-PISA
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Annan publikation (övrigt vetenskapligt/konstnärligt)abstract
- Engineered polymeric nanoparticles (NPs) have been comprehensively explored as potential platforms for diagnosis and targeted therapy for several diseases including cancer. Herein, we designed functional poly(acrylic acid)-b-poly(butyl acrylate) (PAA-b-PBA) NPs using reversible addition-fragmentation chain-transfer (RAFT)-mediated emulsion polymerization via polymerization-induced self-assembly (PISA). The hydrophilic PAA-macroRAFT, forming a stabilizing shell (i.e. corona), was chain-extended using the hydrophobic monomer n-butyl acrylate (n-BA), resulting in stable, monodisperse and reproducible PAA-b-PBA NPs, typically having a diameter of 130 nm. Two approaches of surface engineering of the PAA-b-PBA NPs post-PISA were explored; a two-step and a one-step approach. In the two-step approach, the hydrophilic NP-shell corona was modified with allyl-groups under mild conditions using allylamine in water which resulted in stable allyl-functional NPs (allyl-NPs) suitable for further bio-conjugation. Their versatility was investigated by the subsequent conjugation of a thiol-functional fluorescent dye (BODIPY-SH) to the allyl-groups using click chemistry, in order to mimic the attachment of a thiol-functional target ligand. The average size and size distribution of the corresponding NPs did not change after BODIPY-conjugation. Neither the NPs nor allyl-NPs showed significant cytotoxicity towards RAW264.7 or MCF-7 cell lines, which indicates their desirable safety profile. A one-step approach to concurrently conjugate allyl-groups and a fluorescent dye (FITC) to the preformed PAA-b-PBA NPs was investigated. The cellular uptake of the FITC-NPs using J774A cells in vitro was found to be time- and concentration-dependent. The anti-cancer drug, doxorubicin, was efficiently (90%) encapsulated into the PAA-b-PBA NPs during NP formation. After a small burst release during the first two hours, a controlled release pattern over 7 days was observed. The present investigation demonstrates a potential method to functionalize polymeric NPs post-PISA to produce targeted drug delivery carriers.
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| 4. |
- Asem, H., et al.
(författare)
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Functional Nanocarriers for Drug Delivery by Surface Engineering of Polymeric Nanoparticle Post-Polymerization-Induced Self-Assembly
- 2021
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Ingår i: ACS Applied Bio Materials. - : American Chemical Society. - 2576-6422. ; 4:1, s. 1045-1056
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Tidskriftsartikel (refereegranskat)abstract
- Engineered polymeric nanoparticles (NPs) have been comprehensively explored as potential platforms for diagnosis and targeted therapy for several diseases including cancer. Herein, we designed functional poly(acrylic acid)-b-poly(butyl acrylate) (PAA-b-PBA) NPs using reversible addition-fragmentation chain-transfer (RAFT)-mediated emulsion polymerization via polymerization-induced self-assembly (PISA). The hydrophilic PAA-macroRAFT, forming a stabilizing shell (i.e., corona), was chain-extended using the hydrophobic monomer n-butyl acrylate (n-BA), resulting in stable, monodisperse, and reproducible PAA-b-PBA NPs, typically having a diameter of 130 nm. The surface engineering of the PAA-b-PBA NP post-PISA were explored using a two-step approach. The hydrophilic NP-shell corona was modified with allyl groups under mild conditions, using allylamine in water, which resulted in stable allyl-functional NPs (allyl-NPs) suitable for further bioconjugation. The allyl-NPs were subsequently conjugated with a thiol-functional fluorescent dye (BODIPY-SH) to the allyl groups using "thiol-ene"-click chemistry, to mimic the attachment of a thiol-functional target ligand. The successful attachment of BODIPY-SH to the allyl-NPs was corroborated by UV-vis spectroscopy, showing the characteristic absorbance of the BODIPY-fluorophore at 500 nm. Despite modification of NPs with allyl groups and attachment of BODIPY-SH, the NPs retained their colloidal stability and monodispersity as indicated by DLS. This demonstrates that post-PISA functionalization is a robust method for synthesizing functional NPs. Neither the NPs nor allyl-NPs showed significant cytotoxicity toward RAW264.7 or MCF-7 cell lines, which indicates their desirable safety profile. The cellular uptake of the NPs using J774A cells in vitro was found to be time and concentration dependent. The anti-cancer drug doxorubicin was efficiently (90%) encapsulated into the PAA-b-PBA NPs during NP formation. After a small initial burst release during the first 2 h, a controlled release pattern over 7 days was observed. The present investigation demonstrates a potential method for functionalizing polymeric NP post-PISA to produce carriers designed for targeted drug delivery.
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| 5. |
- Atari Jabarzadeh, Sevil, et al.
(författare)
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Image Analysis Determination of the Influence of Surface Structure of Silicone Rubbers on Biofouling
- 2015
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Ingår i: International Journal of Polymer Science. - : Hindawi Limited. - 1687-9422 .- 1687-9430.
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Tidskriftsartikel (refereegranskat)abstract
- This study focuses on how the texture of the silicone rubber material affects the distribution of microbial growth on the surface of materials used for high voltage insulation. The analysis of surface wetting properties showed that the textured surfaces provide higher receding contact angles and therefore lower contact angle hysteresis. The textured surfaces decrease the risk for dry band formation and thus preserve the electrical properties of the material due to a more homogeneous distribution of water on the surface, which, however, promotes the formation of more extensive biofilms. The samples were inoculated with fungal suspension and incubated in a microenvironment chamber simulating authentic conditions in the field. The extent and distribution of microbial growth on the textured and plane surface samples representing the different parts of the insulator housing that is shank and shed were determined by visual inspection and image analysis methods. The results showed that the microbial growth was evenly distributed on the surface of the textured samples but restricted to limited areas on the plane samples. More intensive microbial growth was determined on the textured samples representing sheds. It would therefore be preferable to use the textured surface silicone rubber for the shank of the insulator.
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| 6. |
- Bettelli, Mercedes, et al.
(författare)
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Sustainable Wheat Protein Biofoams : Dry Upscalable Extrusion at Low Temperature
- 2022
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Ingår i: Biomacromolecules. - : American Chemical Society (ACS). - 1525-7797 .- 1526-4602. ; 23:12, s. 5116-5126
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Tidskriftsartikel (refereegranskat)abstract
- Glycerol-plasticized wheat gluten was explored for producing soft high-density biofoams using dry upscalable extrusion (avoiding purposely added water). The largest pore size was obtained when using the food grade ammonium bicarbonate (ABC) as blowing agent, also resulting in the highest saline liquid uptake. Foams were, however, also obtained without adding a blowing agent, possibly due to a rapid moisture uptake by the dried protein powder when fed to the extruder. ABC's low decomposition temperature enabled extrusion of the material at a temperature as low as 70 °C, well below the protein aggregation temperature. Sodium bicarbonate (SBC), the most common food-grade blowing agent, did not yield the same high foam qualities. SBC's alkalinity, and the need to use a higher processing temperature (120 °C), resulted in high protein cross-linking and aggregation. The results show the potential of an energy-efficient and industrially upscalable low-temperature foam extrusion process for competitive production of sustainable biofoams using inexpensive and readily available protein obtained from industrial biomass (wheat gluten).
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| 7. |
- Birdsong, Björn K., et al.
(författare)
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Large-scale synthesis of 2D-silica (SiOx) nanosheets using graphene oxide (GO) as a template material
- 2023
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Ingår i: Nanoscale. - : Royal Society of Chemistry (RSC). - 2040-3364 .- 2040-3372. ; 15:31, s. 13037-13048
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Tidskriftsartikel (refereegranskat)abstract
- Graphene oxide (GO) was used in this study as a template to successfully synthesize silicon oxide (SiOx) based 2D-nanomaterials, adapting the same morphological features as the GO sheets. By performing a controlled condensation reaction using low concentrations of GO (<0.5 wt%), the study shows how to obtain 2D-nanoflakes, consisting of GO-flakes coated with a silica precursor that were ca. 500 nm in lateral diameter and ca. 1.5 nm in thickness. XPS revealed that the silanes had linked covalently with the GO sheets at the expense of the oxygen groups present on the GO surface. The GO template was shown to be fully removable through thermal treatment without affecting the nanoflake morphology of the pure SiOx-material, providing a methodology for large-scale preparation of SiOx-based 2D nanosheets with nearly identical dimensions as the GO template. The formation of SiOx sheets using a GO template was investigated for two different silane precursors, (3-aminopropyl) triethoxysilane (APTES) and tetraethyl orthosilicate (TEOS), showing that both precursors were capable of accurately templating the graphene oxide template. Molecular modeling revealed that the choice of silane affected the number of layers coated on the GO sheets. Furthermore, rheological measurements showed that the relative viscosity was significantly affected by the specific surface area of the synthesized particles. The protocol used showed the ability to synthesize these types of nanoparticles using a common aqueous alcohol solvent, and yield larger amounts (∼1 g) of SiOx-sheets than what has been previously reported.
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| 8. |
- Blomfeldt, Thomas O. J., et al.
(författare)
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Thermal Conductivity and Combustion Properties of Wheat Gluten Foams
- 2012
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Ingår i: ACS Applied Materials and Interfaces. - : American Chemical Society (ACS). - 1944-8244 .- 1944-8252. ; 4:3, s. 1629-1635
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Tidskriftsartikel (refereegranskat)abstract
- Freeze-dried wheat gluten foams were evaluated with respect to their thermal and fire-retardant properties, which are important for insulation applications. The thermal properties were assessed by differential scanning calorimetry, the laser flash method and a hot plate method. The unplasticised foam showed a similar specific heat capacity, a lower thermal diffusivity and a slightly higher thermal conductivity than conventional rigid polystyrene and polyurethane insulation foams. Interestingly, the thermal conductivity was similar to that of closed cell polyethylene and glass-wool insulation materials. Cone calorimetry showed that, compared to a polyurethane foam, both unplasticised and glycerol-plasticised foams had a significantly longer time to ignition, a lower effective heat of combustion and a higher char content. Overall, the unplasticised foam showed better fire-proof properties than the plasticized foam. The UL 94 test revealed that the unplasticised foam did not drip (form droplets of low viscous material) and, although the burning times varied, self-extinguished after flame removal. To conclude both the insulation and fire-retardant properties were very promising for the wheat gluten foam.
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| 9. |
- Chen, Fei, et al.
(författare)
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Chitosan extrusion at high solids content : An orthogonal experimental design study
- 2014
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Ingår i: Polymers from Renewable Resources. - : SAGE Publications. - 2041-2479 .- 2045-1377. ; 5:1, s. 1-12
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Tidskriftsartikel (refereegranskat)abstract
- For economic reasons and to save time there is a need to shorten the drying operation associated with the production of chitosan materials. Hence it is of interest to extrude chitosan at as high a solids content as possible. This is, to our knowledge, the first systematic study of the extrusion of chitosan at high solids content (60 wt%). An orthogonal experimental design was used to evaluate the effect of processing conditions and material factors on the extrudability of chitosan. This, together with the examination of the evenness and surface finish of the extrudate, made it possible to determine the best conditions for obtaining a readily extrudable high quality material. It was observed that a 1/1 ratio of chitosans with molar masses of 12 and 133 kDa, a process liquid containing 30 wt% acetic acid and 70 wt% water, and extrusion at 50 rpm and 50°C were the optimal material and processing conditions. Materials processed under these conditions were evaluated mechanically at different times after extrusion (stored at 50% RH) in order to see when the properties stabilized. Most mass loss occurred within the first three days after extrusion and this governed the mechanical properties (stiffness and extensibility), which also exhibited the largest changes within these three days (an increase in modulus from 18 to 830 MPa and a decrease in elongation at break from 17 to 3%).
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| 10. |
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