Search results for "Polymers."
showing 10 items of 3543 documents
Length-scale effects in the nucleation of extended dislocations in nanocrystalline Al by molecular-dynamics simulation
2001
The nucleation of extended dislocations from the grain boundaries in nanocrystalline aluminum is studied by molecular-dynamics simulation. The length of the stacking fault connecting the two Shockley partials that form the extended dislocation, i.e., the dislocation splitting distance, rsplit, depends not only on the stacking-fault energy but also on the resolved nucleation stress. Our simulations for columnar grain microstructures with a grain diameter, d, of up to 70 nm reveal that the magnitude of rsplit relative to d represents a critical length scale controlling the low-temperature mechanical behavior of nanocrystalline materials. For rsplit>d, the first partials nucleated from the bou…
How to define variation of physical properties normal to an undulating one-dimensional object.
2009
One-dimensional flexible objects are abundant in physics, from polymers to vortex lines to defect lines and many more. These objects structure their environment and it is natural to assume that the influence these objects exert on their environment depends on the distance from the line-object. But how should this be defined? We argue here that there is an intrinsic length scale along the undulating line that is a measure of its "stiffness" (i.e., orientational persistence), which yields a natural way of defining the variation of physical properties normal to the undulating line. We exemplify how this normal variation can be determined from a computer simulation for the case of a so-called b…
Junction Dynamics in Telechelic Hydrogen Bonded Polyisobutylene Networks
1996
4-Urazoylbenzoic acid groups are attached to the chain ends of polyisobutylene. The cooperative assembling process of these polar groups is studied by DSC and dielectric and dynamic mechanical spectroscopy. The melting of the ordered clusters occurs in the temperature range 380-390 K. Distortions within the U4A clusters (Σ process) are monitored below the melting temperature T m with dielectric spectroscopy. On a larger length scale, these distortions also lead to stress relaxation which can be probed by dynamic mechanical measurements. Near T m , the relaxation ofU4A multiplets (α* relaxation) is detected with dielectric spectroscopy. In this temperature range, dynamic mechanical measureme…
Can Soft Models Describe Polymer Knots?
2020
Similar to macroscopic ropes and cables, long polymers create knots. We address the fundamental question whether and under which conditions it is possible to describe these intriguing objects with crude models that capture only mesoscale polymer properties. We focus on melts of long polymers which we describe by a model typical for mesoscopic simulations. A worm-like chain model defines the polymer architecture. To describe nonbonded interactions, we deliberately choose a generic "soft" repulsive potential that leads to strongly overlapping monomers and coarse local liquid structure. The soft model is parametrized to accurately reproduce mesoscopic structure and conformations of reference p…
Brush Conformation of Polyethylene Glycol Determines the Stealth Effect of Nanocarriers in the Low Protein Adsorption Regime
2021
For nanocarriers with low protein affinity, we show that the interaction of nanocarriers with cells is mainly affected by the density, the molecular weight, and the conformation of polyethylene glycol (PEG) chains bound to the nanocarrier surface. We achieve a reduction of nonspecific uptake of ovalbumin nanocarriers by dendritic cells using densely packed PEG chains with a "brush" conformation instead of the collapsed "mushroom" conformation. We also control to a minor extent the dysopsonin adsorption by tailoring the conformation of attached PEG on the nanocarriers. The brush conformation of PEG leads to a stealth behavior of the nanocarriers with inhibited uptake by phagocytic cells, whi…
Guidelines to design new spin crossover materials
2010
International audience; This review focuses on new families of spin crossover (SCO) complexes based on polynitrile anions as new anionic ligands or on polyazamacrocycles as neutral macrocyclic ligands. We have shown that the structural and electronic characteristics (original coordination modes and high electronic delocalization) of the polynitrile anions can be tuned by slight chemical modifications such as substitution of functional groups or variation of the negative charge to design new discrete or polymeric SCO systems.In our ongoing work on the design of new molecular systems based on new ligands that can be fine-tuned via chemical modifications, another promising way which has been r…
Investigation of the superstructure of native collagen by a combination of small angle X-ray scattering, electron microscopy and light diffraction
1978
It is shown that there exists a direct correlation between the light diffraction pattern of an electron-microscopical picture and the X-ray small angle scattering. By this means it can be proved for native collagen prepared by a special method that the density pattern of stained samples imaged in the electron microscopy is identical with the density pattern available from moist fibres. The reflex intensities of the small angle X-ray scattering are taken for calculating the density structure whereby the necessary phases are delivered by the electron microscopic examination combined with light diffraction.
Multi-responsive copolymers: using thermo-, light- and redox stimuli as three independent inputs towards polymeric information processing
2011
We report on triple responsive polymers, exhibiting a distinct and reversible lower critical solution temperature in water that can be altered by light and redox stimuli, and we suggest their evaluation for molecular information processing.
Endothelialization and Anticoagulation Potential of Surface-Modified PET Intended for Vascular Applications.
2018
In vascular tissue engineering, great attention is paid to the immobilization of biomolecules onto synthetic grafts to increase bio- and hemocompatibility-two critical milestones in the field. The surface modification field of poly(ethylene terephthalate) (PET), a well-known vascular-graft material, is matured and oversaturated. Nevertheless, most developed methods are laborious multistep procedures generally accompanied by coating instability or toxicity issues. Herein, a straightforward surface modification procedure is presented engineered to simultaneously promote surface endothelialization and anticoagulation properties via the covalent immobilization of gelatin through a photoactivate…
Structural determination of the lipo-chitin oligosaccharide nodulation signals produced by Rhizobium giardinii bv. giardinii H152
2003
Abstract Rhizobium giardinii bv. giardinii is a microsymbiont of plants of the genus Phaseolus and produces extracellular signal molecules that are able to induce deformation of root hairs and nodule organogenesis. We report here the structures of seven lipochitooligosaccharide (LCO) signal molecules secreted by R. giardinii bv. giardinii H152. Six of them are pentamers of GlcNAc carrying C 16:0 , C 18:0 , C 20:0 and C 18:1 fatty acyl chains on the non-reducing terminal residue. Four are sulfated at C-6 of the reducing terminal residue and one is acetylated in the same position. Six of them are N -methylated on the non-reducing GlcN residue and all the nodulation factors are carbamoylated o…