23 New electrode materials based on composite inorganic redox material–organic conducting polymer for 24 electroanalysis of dopamine were developed. The composite inorganic–organic coatings based on Prus25 sian blue (PB) and poly(3,4-ethylenedioxythiophene) (PEDOT) have been prepared by electrochemical 26 methods onto gold disk microelectrode arrays. Both insoluble and soluble forms of PB were ...

Like-charged macroions in aqueous electrolyte solution can attract each other because of the presence of inter- and/or intramolecular correlations. Poisson-Boltzmann theory is able to predict attractive interactions if the spatially extended structure (which reflects the presence of intramolecular correlations) of the mobile ions in the electrolyte is accounted for. We demonstrate this for the ...

Massively parallel supercomputers, such as the 150 Gigaflop Intel Paragons located at Oak Ridge National Laboratory and Sandia National Laboratories, make possible molecular simulation of systems of unprecedented complexity and realism. We describe some of the issues related to efficient implementation of molecular dynamics and Monte Carlo simulations on massively parallel supercomputers. The a...

PVP, a synthetic polymer and chitosan, a natural polymer are biocompatible and have presented a great variety of interesting properties for cosmetic, biomedical, pharmaceutical and biotechnological applications, Many alternatives to improve the polymer propeties has been made as bleeding polymers, for example. In this work, two different techniques of hydrogel attainment were used: one from mix...

An electrochemical quartz crystal impedance system (EQCIS) was used to study the resonance behavior of an AT-cut 9-MHz piezoelectric quartz crystal (PQC) with its Au electrode partially immersed in KCl, Na2SO4 and NaClO4 aqueous solutions, respectively. An in situ determination of the immersed area and the height of the electrode was achieved by simultaneous measurements of the PQC electroacous...

A local composition model based on the lattice theory and two-fluid theory, considering the excess heat capacity, which is a modified Wilson equation, is developed for the excess Gibbs energy of aqueous polymer solutions. The model represents a synergistic combination of the excess entropy for mixing molecules of different sizes and the temperature dependent residual contribution, which combine...

A self-consistent microscopic theory is developed to understand the anomalously weak concentration dependence of ionic self-diffusion coefficient D(ion) in electrolyte solutions. The self-consistent equations are solved by using the mean spherical approximation expressions of the static pair correlation functions for unequal sizes. The results are in excellent agreement both with the known expe...

Neutron diffraction with isotopic substitution (NDIS) experiments and molecular dynamics (MD) simulations have been used to characterize the structure of aqueous guanidinium carbonate (Gdm2CO3) solutions. The MD simulations found very strong hetero-ion pairing in Gdm2CO3 solution and were used to determine the best structural experiment to demonstrate this ion pairing. The NDIS experiments conf...