Interactions between charged rods near salty surfaces

Using both theoretical modeling and computer simulations we study a model system for DNA interactions in the vicinity of charged membranes. We focus on the polarization of the mobile charges in the membranes due to the nearby charged rods (DNA) and the resulting screening of their fields and inter-rod interactions. We find, both within a Debye-Hückel model and in Brownian dynamics simulations, that the confinement of the mobile charges to the surface leads to a qualitative reduction in their ability to screen the charged rods to the degree that the fields and resulting interactions are not finite-ranged as in systems including a bulk salt concentration, but rather decay algebraically and the screening effect is more like an effective increase in the multipole moment of the charged rod. Received 28 September 1999     

Microscopic membrane elasticity and interactions among membrane inclusions: interplay between the shape, dilation, tilt and tilt-difference modes

A phenomenological Landau elasticity for the shape, dilation, and lipid-tilt of bilayer membranes is developed. The shape mode couples with the sum of the monolayers' tilt, while the dilation mode couples with the difference of the monolayers' tilts. Interactions among membrane inclusions within regular arrays are discussed. Inclusions modifying the membrane thickness and/or inducing a tilt-difference due to their convex or concave shape yield a dilation-induced attraction and a tilt-difference-induced repulsion. The resulting interaction can stabilize 2D crystal phases, with the possible coexistence of different lattice spacings when the dilation-tilt-difference coupling is large. Inclusions favoring crystals are those with either a long-convex or a short-concave hydrophobic core. Inclusions inducing a local membrane curvature due to their conical shape repel one another. At short inclusions separations, a tilt comparable with the inclusion's cone angle develops: it relaxes the membrane curvature and reduces the repulsion. At large separations the tilt vanishes, whatever the value of the shape-tilt coupling. Received 23 October 1998 and Received in final form 12 January 1999     

Analytical solutions for the energy distribution of charged particles in a weak electric field

The paper deals with the stationary distribution of charged particles moving in a material medium, having scattering and absorption properties, in which a uniform electric field is present. The purpose of the work is finding analytical solutions in simplified but physically significant situations and comparing different approximations based on a spherical-harmonics expansion of the velocity distribution. Received: 28 July 1998     

Quantum spin model of a cubic ferromagnet in a magnetic field

The zero temperature phase diagram of a one-dimensional ferromagnet with cubic single ion anisotropy in an external magnetic field is studied. The mean-field approximation and the density-matrix renormalization group method are applied. Two phases at finite magnetic fields are identified: a canted phase with spontaneously broken symmetry and a phase with magnetization along the magnetic field. Both methods predict that the canted phase exists even for the single-ion anisotropy strong enough to destroy the magnetic order at zero magnetic field. In contrast to the mean-field theory, the density-matrix renormalization group predicts a reentrant behavior for the model. The character of the phase transition at finite magnetic field has also been considered and the critical index has been found. Received 9 May 2000 and Received in final form 5 July 2000     

Transmembrane Transport of Adenosine 5′-Triphosphate Using a Lipophilic Cholesteryl Derivative

The uptake of ATP in liposomes was achieved by using the lipophilic derivative cholesteryloxycarbonyl-ATP ( 1 ). Its hydrolysis leading to the release of ATP inside the vesicules (see scheme) was observed with the help of a pH gradient and monitored by ³¹P NMR spectroscopy. This is the first successful transfer of a nucleoside 5′-triphosphate across a membrane.     

Modeling the Selectivity of Potassium Channels with Synthetic,Ligand‐Assembled π Slides

A supramolecular ion channel model mediates transmembrane ion transport (shown schematically) with a selectivity topology similar to that of K⁺ channels. This supports the biological significance of flexible arene arrays as selective cation binding sites.     

Synthesis of intrinsic fluorescent polypyrrole nanoparticles by atmospheric pressure plasma polymerization

Intrinsic fluorescent polypyrrole (ppy) nanoparticles with different shapes were fabricated by atmospheric pressure plasma polymerization. Gradient electrical field and polarization of active particles in the plasma induce change of shape of nanoparticles from spherical to rod, when the plasma power varied from 5 W to 10 W. Both X-ray photoelectron spectroscopy (XPS) and Fourier transform infrared spectroscopy (FTIR) results suggest that the atmospheric pressure plasma polymerization process (APPP) at the power of 5 W and 10 W can help to preserve the integrity of the structure of monomer due to the predominant role of radical polymerization in APPP at these powers. However, when the plasma power increased to 20 W, the ring structure of some pyrroles was destroyed, owing to existence of higher energy species. The polypyrrole nanoparticles exhibit the peak fluorescence around 415 nm. Fluorescent results show that the fluorescent properties of polypyrrole nanoparticles are related to the particle size of the polymer. The bigger particles would have more enlarged room for exciton diffusion, resulting in lower fluorescence intensity and red shift of the fluorescent peak.     

Phosphate Assisted Proton Transfer in Water and Sugar Glasses: A Study Using Fluorescence of Pyrene-1-carboxylate and IR Spectroscopy

The role of water’s H-bond percolation network in acid-assisted proton transfer was studied in water and glycerol solutions and in sugar glasses. Proton transfer rates were determined by the fluorescence of pyrene-1-carboxylate, a compound with a higher pK in its excited state relative to the ground state. Excitation of pyrene-1-COO⁻ produces fluorescence from pyrene-1-COOH when a proton is accepted during the excited singlet state lifetime of pyrene-1-COO⁻. The presence of glycerol as an aqueous cosolvent decreases proton transfer rates from phosphoric and acetic acid in a manner that does not follow the Stokes relationship on viscosity. In sugar glass composed of trehalose and sucrose, proton transfer occurs when phosphate is incorporated in the glass. Sugar glass containing phosphate retains water and it is suggested that proton transfer requires this water. The infrared (IR) frequency of water bending mode in sugar glass and in aqueous solution is affected by the presence of phosphate and the IR spectral bands of all phosphate species in water are temperature dependent; both results are consistent with H-bonding between water and phosphate. The fluorescence results, which studied the effect of cosolvent, highlight the role of water in assisting proton transfer in reactions involving biological acids, and the IR results, which give spectroscopic evidence for H-bonding between water and phosphate, are consistent with a mechanism of proton transfer involving H-bonding. The possibility that the phosphate-rich surface of membranes assists in proton equilibration in cells is discussed.     

Electromagnetic field distributions in waveguide-based axial-type microwave plasma source

We present results from simulations of 2D distributions of the electromagnetic field inside a waveguide-based axial-type microwave plasma source (MPS) used for hydrogen production via methane reforming. The studies are aimed at optimization of discharge processes and hydrogen production. We derive equations for determining electromagnetic field distributions and next determine the electromagnetic field distributions for two cases – without and with plasma inside the MPS. For the first case, we examine the influence of the length of the inner conductor of the coaxial line on electromagnetic field distributions. We have obtained standing wave patterns along the coaxial line and found resonances for certain positions of the coaxial line inner conductor. For the case with plasma inside the MPS, we perform calculations assuming that distributions of plasma parameters are known. Simulations are done for several values of maximum electron density. We have found that for values of electron density greater than strong skin effect in the plasma is observed. Consequently, plasma may be treated as an extension of the inner conductor of the coaxial line. We have used FlexPDE software for the calculations.     

Application of atmospheric pressure microwave plasma source for production of hydrogen via methane reforming

In this paper, results of hydrogen production via methane pyrolysis in the atmospheric pressure microwave plasma with CH₄ swirl are presented. A waveguide-based nozzleless cylinder-type microwave plasma source (MPS) was used to convert methane into hydrogen. The plasma generation was stabilized by a CH₄ swirl having a flow rate of 87.5 L min^-1. The absorbed microwave power was 1.5–5 kW. The hydrogen production rate and the corresponding energy efficiency were 866 g (H₂) h^-1 and 577 g (H₂) kWh^-1 of microwave energy absorbed by the plasma, respectively. These parameters are better than our previous results when nitrogen was used as a swirl gas and much better than those typical for other plasma methods of hydrogen production (electron beam, gliding arc, plasmatron).