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At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
NASA NTRS2013

Conductance of Ion Channels - Theory vs. Experiment

Transmembrane ion channels mediate a number of essential physiological processes in a cell ranging from regulating osmotic pressure to transmission of neural signals. Kinetics and selectivity of ion transport is of critical importance to a cell and, not surprisingly, it is a subject of numerous experimental and theoretical studies. In this presentation we will analyze in detail computer simulations of two simple channels from fungi - antiamoebin and trichotoxin. Each of these channels is made of an alpha-helical bundle of small, nongenomically synthesized peptides containing a number of rare amino acids and exhibits strong antimicrobial activity. We will focus on calculating ionic conductance defined as the ratio of ionic current through the channel to applied voltage. From molecular dynamics simulations, conductance can be calculated in at least two ways, each involving different approximations. Specifically, the current, given as the number of charges transferred through the channel per unit of time, can be obtained from the number of events in which ions cross the channel during the simulation. This method works well for large currents (high conductance values and/or applied voltages). If the number of crossing events is small, reliable estimates of current are difficult to achieve. Alternatively, conductance can be estimated assuming that ion transport can be well approximated as diffusion in the external potential given by the free energy profile. Then, the current can be calculated by solving the one-dimensional diffusion equation in this external potential and applied voltage (the generalized Nernst-Planck equation). To do so three ingredients are needed: the free energy profile, the position-dependent diffusion coefficient and the diffusive flux of ions into the channel. All these quantities can be obtained from molecular dynamics simulations. An important advantage of this method is that it can be used equally well to estimating large and small currents. In addition, once the free energy profile becomes available the full current-voltage dependence can be readily obtained. For both channels we carried out calculations using both approaches. We also tested the main assumptions underlying the diffusive model, such as uncorrelated nature of individual crossing events and Fickian diffusion. The accuracy and consistency of different methods will be discussed. Finally we will discuss how comparisons between calculated and measured ionic conductance and selectivity of transport can be used for determining structural models of the channels.

Pohorille, Andrew↗
NASA NTRS1981

The role of fluctuation-induced transport in a toroidal plasma with strong radial electric fields

Previous work employing digitally implemented spectral analysis techniques is extended to demonstrate that radial fluctuation-induced transport is the dominant ion transport mechanism in an electric field dominated toroidal plasma. Such transport can be made to occur against a density gradient, and hence may have a very beneficial effect on confinement in toroidal plasmas of fusion interest. It is shown that Bohm or classical diffusion down a density gradient, the collisional Pedersen-current mechanism, and the collisionless electric field gradient mechanism described by Cole (1976) all played a minor role, if any, in the radial transport of this plasma.

Roth, J. R.↗
NASA NTRS1995

Energization and transport of ions of ionospheric origin in the terrestrial magnetosphere

The work of this grant has been predominantly focused on ion outflows from two data sets: Prognoz 7 and Dynamics Explorer. The Prognoz analysis studied ion densities, temperatures, and flow velocities in the magnetotail. The work performed under this contract consisted of developing a program to load the raw data, computing the background subtraction of a strong sun pulse, and using the net count to calculate the low order moments of the distribution function. The study confirms the results of ISEE with regard to the supply of plasma from the cusp as a major source of plasmasheet plasma and goes beyond this to discuss the use of ion velocities as a way to examine the motions of the magnetotail. The abstract of the work to be reported is included as an appendix. The work on the DE/Retarding Ion Mass Spectrometer is separated into two categories: (1) classification of low-energy ion flows from high-latitudes, and (2) studies of the polar wind. Major publications resulting from this work are also included as an appendix to this report. The polar wind is in a category by itself as a result of the thermal escape of hydrogen and helium because of ambipolar diffusion through the heavier, oxygen-dominated topside ionosphere. The analysis of the polar wind reports the flux variability as a function of season, magnetic activity, etc. Much effort has been expended under this grant to complete a follow on study of the thermal structure of the polar wind. Extensive display tools and analysis software have been developed and used in an attempt to carry out this thermal analysis. The present work uses a constrained fit scheme that combines the ion densities and flow velocities derived from Chandler et al. and a spacecraft potential derived from an empirical relation to the total ion density to determine the remaining fit parameter, the ion temperature, via a least squares fit to the RIMS data.

Waite, J. Hunter JR.↗
NASA NTRS2001

Inter-cusp Ion and Electron Transport in a Nstar-derivative Ion Thruster

Diffusion of electrons and ions to anode surfaces between the magnetic cusps of a NASA Solar Electric Propulsion Technology Application Readiness ion thruster has been characterized. Ion flux measurements were made at the anode and at the screen grid electrode. The measurements indicated that the average ion current density at the anode and at the screen grid were approximately equal. Additionally, it was found that the electron flux to the anode between cusps is best described by the classical cross-field diffusion coefficient.

Foster, John E.↗
NASA NTRS2001

Ion and Electron Transport in an Nstar-derivative Ion Thruster

Diffusion of electrons and ions to anode surfaces between the magnetic cusps of a NASA Solar Electric Propulsion Technology Application Readiness ion thruster has been characterized. Ion flux measurements were made at the anode and at the screen grid electrode. The measurements indicated that the average ion current density at the anode and at the screen grid were approximately equal. Additionally, it was found that the electron flux to the anode between cusps is best described by the classical cross-field diffusion coefficient.

Foster, John E.↗
NASA NTRS2002

Monte Carlo transport model comparison with 1A GeV accelerated iron experiment: heavy-ion shielding evaluation of NASA space flight-crew foodstuff

Deep-space manned flight as a reality depends on a viable solution to the radiation problem. Both acute and chronic radiation health threats are known to exist, with solar particle events as an example of the former and galactic cosmic rays (GCR) of the latter. In this experiment Iron ions of 1A GeV are used to simulate GCR and to determine the secondary radiation field created as the GCR-like particles interact with a thick target. A NASA prepared food pantry locker was subjected to the iron beam and the secondary fluence recorded. A modified version of the Monte Carlo heavy ion transport code developed by Zeitlin at LBNL is compared with experimental fluence. The foodstuff is modeled as mixed nuts as defined by the 71st edition of the Chemical Rubber Company (CRC) Handbook of Physics and Chemistry. The results indicate a good agreement between the experimental data and the model. The agreement between model and experiment is determined using a linear fit to ordered pairs of data. The intercept is forced to zero. The slope fit is 0.825 and the R2 value is 0.429 over the resolved fluence region. The removal of an outlier, Z=14, gives values of 0.888 and 0.705 for slope and R2 respectively. c2002 COSPAR. Published by Elsevier Science Ltd. All rights reserved.

NASA Discipline Radiation Health↗
NASA NTRS1995

Extended linear ion trap frequency standard apparatus

A linear ion trap for frequency standard applications is provided with a plurality of trapping rods equally spaced and applied quadruple rf voltages for radial confinement of atomic ions and biased level pins at each end for axial confinement of the ions. The trapping rods are divided into two linear ion trap regions by a gap in each rod in a common radial plane to provide dc discontinuity, thus dc isolating one region from the other. A first region for ion-loading and preparation fluorescence is biased with a dc voltage to transport ions into a second region for resonance frequency comparison with a local oscillator derived frequency while the second region is held at zero voltage. The dc bias voltage of the regions is reversed for transporting the ions back into the first region for fluorescence measurement. The dual mode cycle is repeated continuously for comparison and feedback control of the local oscillator derived frequency. Only the second region requires magnetic shielding for the resonance function which is sensitive to any ambient magnetic fields.

Prestage, John D.↗
NASA NTRS1991

HZETRN: A heavy ion/nucleon transport code for space radiations

The galactic heavy ion transport code (GCRTRN) and the nucleon transport code (BRYNTRN) are integrated into a code package (HZETRN). The code package is computer efficient and capable of operating in an engineering design environment for manned deep space mission studies. The nuclear data set used by the code is discussed including current limitations. Although the heavy ion nuclear cross sections are assumed constant, the nucleon-nuclear cross sections of BRYNTRN with full energy dependence are used. The relation of the final code to the Boltzmann equation is discussed in the context of simplifying assumptions. Error generation and propagation is discussed, and comparison is made with simplified analytic solutions to test numerical accuracy of the final results. A brief discussion of biological issues and their impact on fundamental developments in shielding technology is given.

Wilson, John W.↗
NASA NTRS2010

The Earliest Ion Channels in Protocellular Membranes

Cellular membranes with their hydrophobic interior are virtually impermeable to ions. Bulk of ion transport through them is enabled through ion channels. Ion channels of contemporary cells are complex protein molecules which span the membrane creating a cylindrical pore filled with water. Protocells, which are widely regarded as precursors to modern cells, had similarly impermeable membranes, but the set of proteins in their disposal was much simpler and more limited. We have been, therefore, exploring an idea that the first ion channels in protocellular membranes were formed by much smaller peptide molecules that could spontaneously selfassemble into short-lived cylindrical bundles in a membrane. Earlier studies have shown that a group of peptides known as peptaibols is capable of forming ion channels in lipid bilayers when they are exposed to an electric field. Peptaibols are small, non-genetically encoded peptides produced by some fungi as a part of their system of defense against bacteria. They are usually only 14-20 residues long, which is just enough to span the membrane. Their sequence is characterized by the presence of non-standard amino acids which, interestingly, are also expected to have existed on the early earth. In particular, the presence of 2-aminoisobutyric acid (AIB) gives peptaibols strong helix forming propensities. Association of the helices inside membranes leads to the formation of cylindrical bundles, typically containing 4 to 10 monomers. Although peptaibols are excellent candidates for models of the earliest ion channels their structures, which are stabilized only by van der Waals forces and occasional hydrogen bonds between neighboring helices, are not very stable. Although it might properly reflect protobiological reality, it is also a major obstacle in studying channel behavior. For this reason we focused on two members of the peptaibol family, trichotoxin and antiamoebin, which are characterized by a single conductance level. This indicates that their structures are unique and stable. In addition, it is also believed that the trichotoxin channel displays some selectivity between potassium and chloride ions. This makes trichotoxin and antiamoebin ideal models of the earliest ion channels that could provide insight into the origins of ion conductance and selectivity. In the absence of crystal structure of the trichotoxin and antiamoebin channels, we propose their molecular models based on experimentally determined number of monomers forming the bundles. We use molecular dynamics simulations to validate the models in terms of their conductance and selectivity. On the basis of our simulations we show that the emergence of channels built of small, alpha-helical peptides was protobiologically plausible and did not require highly specific amino acid sequences, which is a convenient evolutionary trait. Despite their simple structure, such channels could possess properties that, at the first sight, appear to require markedly larger complexity. To this end, we will discuss how the amino acid sequence and structure of primitive channels give rise to the phenomena of ionic conductance and selectivity across the earliest cell walls, which were essential functions for the emergence and early evolution of protocells. Furthermore, we will argue that even though architectures of membrane proteins are not nearly as diverse as those of water-soluble proteins, they are sufficiently flexible to adapt readily to the functional demands arising during evolution.

Mijajlovic, Milan↗
NASA NTRS2024

NESC Ceramic Oxygen Generator (COG) Technology Development

The NASA Engineering and Safety Center (NESC) sponsored a project to accelerate the pace of technology development of a ceramic oxygen generator (COG), for NASA and COVID related medical use. NASA applications for this technology include spacesuit oxygen tank recharge, medical applications include providing medical oxygen in remote and low resource settings. During this project, five full-scale (i.e., 30 wafer) cell stacks were built and tested in prototype systems capable of producing pressurized oxygen. System testing measured oxygen product purity, delivery pressure, production rate, and energy use. This report describes ion transport membrane mechanisms, cell stack configuration, and test results.

Oxygen↗
NASA NTRS1984

Neon transport in selected organic composites

An energy-dependent, perturbation expansion solution for heavy-ion transport in one dimension was used to calculate the dose from Ne-20 beams at incident kinetic energies of 350, 670, and 2000 MeV/amu onto selected organic composites. Transport coefficients, applicable to arbitrary ion beams over a broad range of energies, are presented. Polyethylene and Kapton were tested as constituents of multilayered shielding for spacecraft and astronauts.

Townsend, L. W.↗
NASA NTRS1974

The two-dimensional tunnel structures of K3Sb5O14 and K2Sb4O11

The structures of K3Sb5O14 and K2Sb4O11 have been solved by the single-crystal X-ray direct method and the heavy-atom method, respectively. The structure of K3Sb5O14 is orthorhombic, with space group Pbam and cell parameters a = 24.247 (4), b = 7.157 (2), c = 7.334 (2) A, Z = 4. The structure of K2Sb4O11 is monoclinic, with space group C2/m and cell parameters a = 19.473 (4), b = 7.542 (1), c = 7.198 (1) A, beta = 94.82 (2) deg, Z = 4. A full-matrix least-squares refinement gave R = 0.072 and R = 0.067, respectively. In both structures, oxygen atoms form an octahedron around each Sb atom and an irregular polyhedron around each K atom. By sharing corners and edges, the octahedra form a skeleton network having intersecting b-axis and c-axis tunnels. The K(+) ions, which have more than ten oxygen near neighbors, are located in these tunnels. Evidence for K(+)-ion transport within and between tunnels comes from ion exchange of the alkali ions in molten salts and anisotropic temperature factors that are anomalously large in the direction of the tunnels.

Hong, H. Y.-P.↗
NASA NTRS2000

A Self-Consistent Plasma-Sheath Model for the Inductively Coupled Plasma Reactor

Accurate determination of ion flux on a wafer requires a self-consistent, multidimensional modeling of plasma reactor that adequately resolves the sheath region adjoining the wafer. This level of modeling is difficult to achieve since non-collisional sheath lengths are usually 3-4 orders of magnitude smaller than the reactor scale. Also, the drift-diffusion equations used for ion transport becomes invalid in the sheath since the ion frictional force is no longer in equilibrium with drift and diffusion forces. The alternative is to use a full momentum equation for each ionic species. In this work we will present results from a self-consistent reactor scale-sheath scale model for 2D inductively coupled plasmas. The goal of this study is to improve the modeling capabilities and assess the importance of additional physics in determining important reactor performance features, such as the ion flux uniformity, coil frequency and configuration effects, etc. Effect of numerical dissipation on the solution quality will also be discussed.

Bose, Deepak↗
NASA NTRS2010

Faster and More Accurate Transport Procedures for HZETRN

Several aspects of code verification are examined for HZETRN. First, a detailed derivation of the numerical marching algorithms is given. Next, a new numerical method for light particle transport is presented, and improvements to the heavy ion transport algorithm are discussed. A summary of various coding errors is also given, and the impact of these errors on exposure quantities is shown. Finally, a coupled convergence study is conducted. From this study, it is shown that past efforts in quantifying the numerical error in HZETRN were hindered by single precision calculations and computational resources. It is also determined that almost all of the discretization error in HZETRN is caused by charged target fragments below 50 AMeV. Total discretization errors are given for the old and new algorithms, and the improved accuracy of the new numerical methods is demonstrated. Run time comparisons are given for three applications in which HZETRN is commonly used. The new algorithms are found to be almost 100 times faster for solar particle event simulations and almost 10 times faster for galactic cosmic ray simulations.

Slaba, Tony C.↗
NASA NTRS1989

A Hierarchy of Transport Approximations for High Energy Heavy (HZE) Ions

The transport of high energy heavy (HZE) ions through bulk materials is studied neglecting energy dependence of the nuclear cross sections. A three term perturbation expansion appears to be adequate for most practical applications for which penetration depths are less than 30 g per sq cm of material. The differential energy flux is found for monoenergetic beams and for realistic ion beam spectral distributions. An approximate formalism is given to estimate higher-order terms.

Wilson, John W.↗
NASA NTRS1979

Ion confinement and transport in a toroidal plasma with externally imposed radial electric fields

Strong electric fields were imposed along the minor radius of the toroidal plasma by biasing it with electrodes maintained at kilovolt potentials. Coherent, low-frequency disturbances characteristic of various magnetohydrodynamic instabilities were absent in the high-density, well-confined regime. High, direct-current radial electric fields with magnitudes up to 135 volts per centimeter penetrated inward to at least one-half the plasma radius. When the electric field pointed radially toward, the ion transport was inward against a strong local density gradient; and the plasma density and confinement time were significantly enhanced. The radial transport along the electric field appeared to be consistent with fluctuation-induced transport. With negative electrode polarity the particle confinement was consistent with a balance of two processes: a radial infusion of ions, in those sectors of the plasma not containing electrodes, that resulted from the radially inward fields; and ion losses to the electrodes, each of the which acted as a sink and drew ions out of the plasma. A simple model of particle confinement was proposed in which the particle confinement time is proportional to the plasma volume. The scaling predicted by this model was consistent with experimental measurements.

Roth, J. R.↗
NASA NTRS1993

Energy content of stormtime ring current from phase space mapping simulations

We perform a phase space mapping study to estimate the enhancement in energy content that results from stormtime particle transport in the equatorial magnetosphere. Our pre-storm phase space distribution is based on a steady-state transport model. Using results from guiding-center simulations of ion transport during model storms having main phases of 3 hr, 6 hr, and 12 hr, we map phase space distributions of ring current protons from the pre-storm distribution in accordance with Liouville's theorem. We find that transport can account for the entire ten to twenty-fold increase in magnetospheric particle energy content typical of a major storm if a realistic stormtime enhancement of the phase space density f is imposed at the nightside tail plasma sheet (represented by an enhancement of f at the neutral line in our model).

Chen, Margaret W.↗