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Search results for: ethylene
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Practical Approach to Large-Scale Electronic Structure Calculations in Electrolyte Solutions via Continuum-Embedded Linear-Scaling Density Functional Theory
PublicationWe present the implementation of a hybrid continuum-atomistic model for including the effects of a surrounding electrolyte in large-scale density functional theory (DFT) calculations within the Order-N Electronic Total Energy Package (ONETEP) linear-scaling DFT code, which allows the simulation of large complex systems such as electrochemical interfaces. The model represents the electrolyte ions as a scalar field and the solvent...
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The Green Approach to the Synthesis of Bio-Based Thermoplastic Polyurethane Elastomers with Partially Bio-Based Hard Blocks
PublicationBio-based polymeric materials and green routes for their preparation are current issues of many research works. In this work, we used the diisocyanate mixture based on partially bio-based diisocyanate origin and typical petrochemical diisocyanate for the preparation of novel bio-based thermoplastic polyurethane elastomers (bio-TPUs). We studied the influence of the diisocyanate mixture composition on the chemical structure, thermal,...
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Synthesis and characterization of cycloaliphatic hydrophilic polyurethanes, modified with l-ascorbic acid, as materials for soft tissue regeneration
PublicationIn this paper we described synthesis and characteristic of obtained hydrophilic polyurethanes (PURs) modified with ascorbic acid (commonly known as vitamin C). Such materials may find an application in the biomedical field, for example in the regenerative medicine of soft tissues, according to ascorbic acid wide influence on tissue regeneration Flora (2009), Szymańska-Pasternak et al. (2011), Taikarimi and Ibrahim (2011), Myrvik...
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Novel Research on Biomedical Polyurethanes
PublicationThe variety of mechanical properties characterizes properly designed PURs. They may be biocompatible and reveal compatibility with blood, making them attractive materials for the fabrication of tissue scaffolds; however, like all synthetic materials, PURs don’t reveal sufficient biocompatibility. PURs may undergo certain chemical modifications (e.g., 1,4:3,6-dianhydro-D-sorbitol, ascorbic acid (AA), growth factors, covering with...
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Effect of long-term cold storage on physicochemical attributes and bioactive components of kiwi fruit cultivars
PublicationVarious kiwi fruit cultivars, bred in Korea, were kept in cold storage for 8–24 weeks for possible increase of their quality. Firmness significantly decreased at initial time in all cultivars.The rate of softeningwas the slowest in “Hayward”, followed by “Hort16A”, “Haenam”, “Daheung”, “Bidan”, “Hwamei”, and “SKK 12”. Sensory value increased with decreasing of firmness. Soluble solids content increased with storage time while acidity gradually...
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Rubber wastes recycling for developing advanced polymer composites: A warm handshake with sustainability
PublicationRecycling and management of rubber wastes experiences an early-stage maturity in the quest for sustainable and circular materials. Up to now, solutions proposed for sustainable development of rubber wastes are limited, so that properties and performance features of recycled products are inadequate for practical applications. Herein, an experimental protocol is introduced for manufacturing semi-sustainable polymer composites based...
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Recycled rubber wastes-based polymer composites with flame retardancy and electrical conductivity: Rational design, modeling and optimization
PublicationPolymer recycling techniques experience a maturity period of design and application. Rubbers comprise a high proportion of polymer wastes, highly flammable and impossible to re-melt. Polymer composites based on ground tire rubber (GTR) and ethylene-vinyl acetate copolymer (EVA) containing carbon black (CB) (1–50 phr), with variable EVA/GTR weight composition (10/90, 25/75, 50/50, 75/25 and 90/10), and processing temperature (Low:...
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Intermolecular Interactions of Edaravone in Aqueous Solutions of Ethaline and Glyceline Inferred from Experiments and Quantum Chemistry Computations
PublicationEdaravone, acting as a cerebral protective agent, is administered to treat acute brain infarction. Its poor solubility is addressed here by means of optimizing the composition of the aqueous choline chloride (ChCl)-based eutectic solvents prepared with ethylene glycol (EG) or glycerol (GL) in the three different designed solvents compositions. The slurry method was used for spectroscopic solubility determination in temperatures...