No Arabic abstract
We investigate the effects of the relative dielectric coefficient on ionic flows in open ion channels, using mathematical analysis of reasonably general Poisson-Nernst-Planck type models that can include the finite sizes of ions. The value of the relative dielectric coefficient is of course a crucial parameter for ionic behavior in general. Using the powerful theory of singularly perturbed problems in applied mathematics, we show that some properties of open channels are quite insensitive to variation in the relative dielectric coefficient, thereby explaining such effects seen unexpectedly in simulations. The ratio between the total number of one ion species and that of another ion species, and the ratio between the flux of one ion species and that of another ion species do not depend significantly on the relative dielectric coefficient.
We report an experimental study of the influences of the fixed charge and bulk ionic concentrations on the conduction of biological ion channels, and we consider the results within the framework of the ionic Coulomb blockade model of permeation and selectivity. Voltage clamp recordings were used to investigate the Na$^+$/Ca$^{2+}$ anomalous mole fraction effect (AMFE) exhibited by the bacterial sodium channel NaChBac and its mutants. Site-directed mutagenesis was used to study the effect of either increasing or decreasing the fixed charge in their selectivity filters for comparison with the predictions of the Coulomb blockade model. The model was found to describe well some aspects of the experimental (divalent blockade and AMFE) and simulated (discrete multi-ion conduction and occupancy band) phenomena, including a concentration-dependent shift of the Coulomb staircase. These results substantially extend the understanding of ion channel selectivity and may also be applicable to biomimetic nanopores with charged walls.
It has been suggested that quantum coherence in the selectivity filter of ion channel may play a key role in fast conduction and selectivity of ions. However, it has not been clearly elucidated yet why classical coherence is not sufficient for this purpose. In this paper, we investigate the classical vibrational coherence between carbonyl groups oscillations in the selectivity filter of KcsA ion channels based on the data obtained from molecular dynamics simulations. Our results show that classical coherence plays no effective role in fast ionic conduction.
We present an equilibrium statistical-mechanical theory of selectivity in biological ion channels. In doing so, we introduce a grand canonical ensemble for ions in a channels selectivity filter coupled to internal and external bath solutions for a mixture of ions at arbitrary concentrations, we use linear response theory to find the current through the filter for small gradients of electrochemical potential, and we show that the conductivity of the filter is given by the generalized Einstein relation. We apply the theory to the permeation of ions through the potassium selectivity filter, and are thereby able to resolve the long-standing paradox of why the high selectivity of the filter brings no associated delay in permeation. We show that the Eisenman selectivity relation follows directly from the condition of diffusion-limited conductivity through the filter. We also discuss the effect of wall fluctuations on the filter conductivity.
In the present work the authors report results of broadband dielectric spectroscopy on various samples of CaCu3Ti4O12, including so far only rarely investigated single crystalline material. The measurements extend up to 1.3 GHz, covering more than nine frequency decades. We address the question of the origin of the colossal dielectric constants and of the relaxational behavior in this material, including the second relaxation reported in several recent works. For this purpose, the dependence of the temperature- and frequency-dependent dielectric properties on different tempering and surface treatments of the samples and on ac-field amplitude are investigated. Broadband spectra of a single crystal are analyzed by an equivalent circuit description, assuming two highly resistive layers in series to the bulk. Good fits could be achieved, including the second relaxation, which also shows up in single crystals. The temperature- and frequency-dependent intrinsic conductivity of CCTO is consistent with the Variable Range Hopping model. The second relaxation is sensitive to surface treatment and, in contrast to the main relaxation, also is strongly affected by the applied ac voltage. Concerning the origin of the two insulating layers, we discuss a completely surface-related mechanism assuming the formation of a metal-insulator diode and a combination of surface and internal barriers.