Self-immobilization of poly(methyloctylsiloxane) on high-performance liquid chromatographic silica

Poly(methyloctylsiloxane) (PMOS) was deposited on HPLC silica by a solvent evaporation procedure and this material was then extracted, using a good solvent for the PMOS, after different time periods, to remove unretained liquid polymer. Solvent extraction data reveal changes which occur at ambient temperature as a function of the time interval between particle loading and extraction. The quantity of PMOS remaining on the silica after extraction, as determined by elemental analysis for carbon, is attributed to strongly adsorbed polymer. This phenomenon is termed self-immobilization. Solid-state 29Si NMR spectra indicate the formation of a silicon species with a different chemical shift than the original PMOS. These new signals are attributed to a combination of different adsorbed and chemically bonded groups.     

Synthesis of aminosaccharide‐derived polymers with urea,urethane, and amide linkages

The synthesis of novel polyurethanes and polyureas based on modified glycosylamines and glucosamines has been successfully accomplished by catalytic polymerizations. Several modified glucosamine monomers were synthesized to study their reactivities during these polymerization reactions. It was found that the anomeric hydroxyl groups are more reactive than the amino groups. The resulting polymers were characterized by NMR and IR spectroscopy, elementary analysis, viscosimetry, and gel permeation chromatography. © 2001 John Wiley & Sons, Inc. J Polym Sci Part A: Polym Chem 39: 2332–2341, 2001     

OptiDose: Computing the Individualized Optimal Drug Dosing Regimen Using Optimal Control

Journal of Optimization Theory and Applications - Providing the optimal dosing strategy of a drug for an individual patient is an important task in pharmaceutical sciences and daily clinical...     

On Gapped Phases with a Continuous Symmetry and Boundary Operators

We discuss the role of compact symmetry groups, G, in the classification of gapped ground state phases of quantum spin systems. We consider two representations of G on infinite subsystems. First, in arbitrary dimensions, we show that the ground state spaces of models within the same G-symmetric phase carry equivalent representations of the group for each finite or infinite sublattice on which they can be defined and on which they remain gapped. This includes infinite systems with boundaries or with non-trivial topologies. Second, for two classes of one-dimensional models, by two different methods, for G=SU(2) in one, and G?SU(d), in the other we construct explicitly an ‘excess spin’ operator that implements rotations of half of the infinite chain on the GNS Hilbert space of the ground state of the full chain. Since this operator is constructed as the limit of a sequence of observables, the representation itself is, in principle, experimentally observable. We claim that the corresponding unitary representation of G is closely related to the representation found at the boundary of half-infinite chains. We conclude with determining the precise relation between the two representations for the class of frustration-free models with matrix product ground states.     

Advanced multicanonical Monte Carlo methods for efficient simulations of nucleation processes of polymers

The investigation of freezing transitions of single polymers is computationally demanding, since surface effects dominate the nucleation process. In recent studies we have systematically shown that the freezing properties of flexible, elastic polymers depend on the precise chain length. Performing multicanonical Monte Carlo simulations, we faced several computational challenges in connection with liquid–solid and solid–solid transitions. For this reason, we developed novel methods and update strategies to overcome the arising problems. We introduce novel Monte Carlo moves and two extensions to the multicanonical method.     

Effect of multivalent cations,temperature, and aging on SOM thermal properties

Multivalent cations are suggested to influence the supramolecular structure of soil organic matter (SOM) via inter- and intra-molecular interactions with SOM functional groups. In this study, we tested the combined effect of cations, temperature treatment, and isothermal aging on SOM matrix properties. Samples from a peat and a mineral soil were either enriched with Na, Ca, and Al or desalinated in batch experiments. After treatment at 25, 40, 60, and 105 °C and after different periods of aging at 19 °C and 31 % relative humidity, we investigated the physicochemical matrix stability and the thermal stability against combustion. We hypothesized that multivalent cations stabilize the SOM matrix, that these structures disrupt at elevated temperatures, and that aging leads to an increase in matrix stability. The results show that cation-specific effects on matrix rigidity started to evolve in the peat only after 8 weeks of aging and were significantly lower than the temperature effects. Temperature treatment above 40 °C caused a non (or not immediately) reversible loss of water molecule bridges (WaMB) and above 60 °C a partly reversible melting process probably of semi-crystalline poly(methylene). Thermal stability increased with increasing cation valence and degree of protonation and was much less affected by temperature. Generally, Na-treated and control samples revealed lower thermal stability and lower increase in matrix rigidity with aging than those treated with Ca, Al, and H. We conclude that drying at elevated temperatures (>40 °C) may irreversibly change SOM structure via disruption of labile cross-links and melting of semi-crystalline domains.     

Radiative Thermal Instability and Bifurcation

A radial hydrodynamic model is used to investigate the radiative thermal instability in the scrape-off layer by applying a linear stability analysis of existing equilibrium states. Phase space trajectories are analyzed to derive conditions of their existence and bifurcation. Equilibrium profiles are calculated for the cases of homogeneous plasma temperature, plasma density and self-consistency. Unstable perturbations, localized in the scrape-off layer, may lead to a strongly radiating detached plasma belt.