Search results for "property relations"
showing 10 items of 21 documents
Homopolymerization of styrenic monomers and their copolymerization with ethylene using group 4 non‐metallocene catalysts
2020
Homopolymerization of styrenic monomers (St, p ‐Me‐St, p ‐t Bu‐St, p ‐t BuO‐St) and their copolymerization with ethylene, with the use of [( t Bu2O2NN′)ZrCl]2(μ‐O) (1 ) and ( t Bu2O2NN′)TiCl2 (2 ), where t Bu2O2NN′ = Me2N(CH2)2N(CH2‐2‐O−‐3,5‐t Bu2‐C6H2)2, is explored in the presence of MMAO and (i Bu)3Al/Ph3CB(C6F5)4. The ethylene/styrenic monomers copolymerization with 1 /MMAO produces exclusively copolymers with high activity and good comonomer incorporation whereas the other catalytic systems yield mixtures of copolymers and homopolymers. The use of p ‐alkyl styrene derivatives instead of styrene raises the catalytic activity, comonomer incorporation and molecular weights of the copolyme…
Xyloglucan-based hydrogel films for wound dressing: Structure-property relationships
2017
Thin xyloglucan-based hydrogel films have been synthetized and characterized in the prospect of producing wound dressings. Polyvinyl alcohol (PVA) and glycerol (Gro) were added to have an optimal combination of softness, conformability and resilience. Physical hydrogels have been transformed into permanent covalent hydrogels by reaction with glutaraldehyde (GA). Network structure-process-property relationships are discussed on the account of the results of several complementary characterizations: FTIR, rheology, thermal analysis, morphological analysis, moisture retention and swelling measurements. Selected formulations were also subjected to preliminary in vitro cytotoxicity tests. The phy…
Endocytotic uptake of HPMA-based polymers by different cancer cells: impact of extracellular acidosis and hypoxia.
2017
Daniel Gündel,1 Mareli Allmeroth,2 Sarah Reime,1 Rudolf Zentel,2 Oliver Thews1 1Institute of Physiology, Martin Luther University Halle-Wittenberg, Halle (Saale), 2Institute of Organic Chemistry, Johannes Gutenberg-University, Mainz, Germany Background: Polymeric nanoparticles allow to selectively transport chemotherapeutic drugs to the tumor tissue. These nanocarriers have to be taken up into the cells to release the drug. In addition, tumors often show pathological metabolic characteristics (hypoxia and acidosis) which might affect the polymer endocytosis.Materials and methods: Six different N-(2-hydroxypropyl)methacrylamide (HPMA)-based polymer structures (homopolymer as well as…
Morphology, interfacial interaction, and thermal degradation of polycarbonate/MCM-41 (nano)composites
2017
ABSTRACTThis article reports on the morphology, interfacial interaction, thermal stability, and thermal degradation kinetics of polycarbonate (PC)/mesoporous silica (MCM-41) composites with various MCM-41 contents, prepared by melt compounding. The composites with low filler loadings (<0.3 wt%) maintained their transparency because of the well dispersed MCM-41 particles, but at higher filler loadings the composites lost their transparency due to the presence of agglomerates. The presence of agglomerates decreased the thermal stability of PC due to the reduced effectiveness of the particles to immobilize the polymer chains, free radicals, and volatile degradation products.
Predicting Skin Permeability by Means of Computational Approaches: Reliability and Caveats in Pharmaceutical Studies
2019
The skin is the main barrier between the internal body environment and the external one. The characteristics of this barrier and its properties are able to modify and affect drug delivery and chemical toxicity parameters. Therefore, it is not surprising that permeability of many different compounds has been measured through several in vitro and in vivo techniques. Moreover, many different in silico approaches have been used to identify the correlation between the structure of the permeants and their permeability, to reproduce the skin behavior, and to predict the ability of specific chemicals to permeate this barrier. A significant number of issues, like interlaboratory variability, experim…
Study of relationships between the structure of aroma compounds and their retention-release between vapour phase and dairy gels
2010
An integrated approach physicochemistry and structures activity relationships has been carried out to study the aroma compounds retention-release phenomenon in a fat free dairy gel added with pectin. This study aimed to identify the molecular properties that govern this phenomenon assuming that modifying the structure leads automatically to a change in the retention-release of aroma compounds. For this purpose, we have determined the partition coefficients of 28 aroma compounds in water, in pectin gels and in dairy gels supplemented or not supplemented with pectin, at equilibrium conditions using the PRV method (Phase Ratio Variation). Then, we have performed a structure-retention relations…
Polarity study of ionic liquids with the solvatochromic dye Nile Red: a QSPR approach using in silico VolSurf+ descriptors
2016
The in silico VolSurfþ descriptors, accounting for both cationic and anionic structural features of ionic liquids (ILs) were used to develop a Partial Least Squares (PLS) model able to establish a Quantitative Structure Property Relationship (QSPR) correlation with their solvatochromic dye Nile Red polarity. The PLS model allowed prediction of ENR values for 116 ILs providing an in silico ILs polarity database.
Effect of Different Matrices and Nanofillers on the Rheological Behavior of Polymer-Clay Nanocomposites
2010
In this work, a comprehensive study of the rheologi-cal behavior under shear and isothermal and nonisothermal elongational flow of low density polyethylene (LDPE) and ethylene-vinyl acetate copolymer (EVA) based nanocomposites was reported to evaluate their "filmability", that is, the ability of these material to be processed for film forming applications. The influence of two different kinds of organoclay - namely Cloisite 15A and Cloisite 30B - and their concentration was evaluated. The presence of filler clearly affects the rheological behavior in oscil-latory state of polyolefin-based nanocomposites but the increase of complex viscosity and the shear thinning are not dramatic. A larger …
Halogen...halogen interactions in pressure-frozen ortho- and meta-dichlorobenzene isomers.
2007
Isomers 1,2-dichlorobenzene (o-DCB) and 1,3-dichlorobenzene (m-DCB) were high-pressure frozen in-situ in a Merrill–Bassett diamond–anvil cell and their structures determined at room temperature and at 0.18 (5) GPa for o-DCB, and 0.17 (5) GPa for m-DCB by single-crystal X-ray diffraction. The patterns of halogen...halogen intermolecular interactions in these structures can be considered to be the main cohesive forces responsible for the molecular arrangements in these crystals. The molecular packing of dichlorobenzene isomers, including three polymorphs of 1,4-dichlorobenzene (p-DCB), have been compared and relations between their molecular symmetry, packing arrangements, intermolecular inte…
Structure and performance properties of environmentally-friendly biocomposites based on poly(ɛ-caprolactone) modified with copper slag and shale dril…
2018
The potential application of two types of industrial wastes, drill cuttings (DC) and copper slag (CS), as silica-rich modifiers of poly(ɛ-caprolactone) (PCL) was investigated. Chemical structure and physical properties of DC and CS fillers were characterized using X-ray diffractometer, X-ray fluorescence spectroscopy, particle size and density measurements. PCL/DC and PCL/CS composites with a variable content of filler (5 to 50 parts by weight) were prepared by melt compounding in an internal mixer. It was observed that lower particle size of DC filler enhanced processing of biocomposites comparing to CS filler. Smaller particles of DC filler and thus the higher specific surface area, enabl…