Model for self-propulsive helical filaments: kink-pair propagation

Spiroplasma bacteria propel through viscous fluids by sending kinks or domain walls between regions of opposite handedness down their helical body. A simple elastic model for the domain-wall propagation is formulated and studied using hydrodynamic simulations and scaling arguments, giving good agreement with recent video-microscopy observations. It is shown that the observed helical bacterial pitch angle psi approximately 35 degrees is optimized for maximal speed and efficiency.     

Anomalous polymer sedimentation far from equilibrium

A single flexible polymer in strong sedimentation fields is investigated using hydrodynamic simulations and scaling arguments. For short chains and small fields compaction is observed. For elevated fields or long chains the chain stretches and the sedimentation coefficient decreases, in agreement with ultracentrifuge experiments on linear as well as circular DNA. For very large fields a tadpole forms consisting of a compact leading head and a trailing stretched tail.     

From simple surface models to lipid membranes: Universal aspects of the hydration interaction from solvent-explicit simulations

A review of atomistic simulation approaches including explicit water for the study of hydration forces between polar surfaces is presented. In particular, we discuss different methods for keeping the chemical potential of water constant and compare advantages and limitations of each method. It turns out that modifications of hydration forces due to surface softness can be accounted for by a convolution over the surface shape profile. Universal aspects of the hydration interaction observed in simulations of different surface chemistries are highlighted, while special attention is given to hydration forces between self-assembled phospholipid membranes.     

Highly stretched single polymers: atomic-force-microscope experiments versus ab-initio theory

Experimental single-molecule stretching curves for three backbone architectures (single-stranded DNA, various types of peptides, polyvinylamine) are quantitatively compared with corresponding quantum-chemical (zero-temperature) ab-initio calculations in the high-force range of up to two nanonewtons. For high forces, quantitative agreement is obtained with the contour length of the polymers as the only fitting parameter. For smaller forces, the effects of chain fluctuations are accounted for by using recent theoretical results for the stretching response of a freely-rotating-chain model.     

Variational theory for a single polyelectrolyte chain revisited

We reconsider the electrostatic contribution to the persistence length, , of a single, infinitely long-charged polymer in the presence of screening. A Gaussian variational method is employed, taking as the only variational parameter. For weakly charged and flexible chains, crumpling occurs at small length scales because conformational fluctuations overcome electrostatic repulsion. The electrostatic persistence length depends on the square of the screening length, , as first argued by Khokhlov and Khachaturian by applying the Odijk-Skolnick-Fixman (OSF) theory to a string of crumpled blobs. We compare our approach to previous theoretical works (including variational formulations) and show that the result found by several authors comes from the improper use of a cutoff at small length scales. For highly charged and stiff chains, crumpling does not occur; here we recover the OSF result and validate the perturbative calculation for slightly bent rods.PACS: 36.20.-r Macromolecules and polymer molecules - 82.70.-y Disperse systems; complex fluids - 87.15.-v Biomolecules: structure and physical properties     

Novel technique for the measurement of fiber dispersion properties

We present a novel method for measuring the linear and nonlinear dispersion properties of conventional and micro-structured fibers. It is based on the automated compensation of phase modulations using a high-resolution pulse-shaping device. No tunable laser source is required. Received: 20 December 2002 / Published online: 19 March 2003 RID="*" ID="*"Corresponding author. Fax: +49-3641/947202, E-mail: stobrawa@ioq.uni-jena.de RID="**" ID="**"Present address: Carl Zeiss Meditec AG, G?schwitzer Strasse 51–52, 07745 Jena, Germany     

Non-linear osmotic brush regime: Simulations and mean-field theory

We investigate polyelectrolyte brushes in the osmotic regime using both theoretical analysis and molecular dynamics simulation techniques. In the simulations at moderate Bjerrum length, we observe that the brush height varies weakly with grafting density, in contrast to the accepted scaling law, which predicts a brush thickness independent of the grafting density. We show that such behavior can be explained by considering lateral electrostatic effects (within the non-linear Poisson-Boltzmann theory) combined with the coupling between lateral and longitudinal degrees of freedom due to the conserved polymer volume (which are neglected in scaling arguments). We also take the non-linear elasticity of polyelectrolyte chains into consideration, which makes significant effects as chains are almost fully stretched in the osmotic regime. It is shown that all these factors lead to a non-monotonic behavior for the brush height as a function of the grafting density. At large grafting densities, the brush height increases with increasing the grafting density due to the volume constraint. At small grafting densities, we obtain a re-stretching of the chains for decreasing grafting density, which is caused by lateral electrostatic contributions and is controlled by the counterion-condensation process around polyelectrolyte chains. These results are obtained assuming all counterions to be trapped within the brush, which is valid for sufficiently long chains of large charge fraction.Received: 14 May 2003, Published online: 11 November 2003PACS: 61.25.Hq Macromolecular and polymer solutions; polymer melts; swelling - 36.20.-r Macromolecules and polymer molecules - 61.20.Qg Structure of associated liquids: electrolytes, molten salts, etc.     

Binding of similarly charged plates with counterions only

Similarly and highly charged plates in the presence of multivalent counterions attract each other and form electrostatically bound states. Using Monte-Carlo simulations, we obtain the interplate pressure in the global parameter space. The equilibrium plate separation, where the pressure changes from attractive to repulsive, exhibits a novel unbinding transition. A systematic and asymptotically exact strong-coupling field theory yields the bound state from a competition between counterion entropy and electrostatic attraction, in agreement with simple scaling arguments and simulations.