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At least 19 records

Computer simulation of ion channel gating: the M(2) channel of influenza A virus in a lipid bilayer

The transmembrane fragment of the influenza virus M(2) protein forms a homotetrameric channel that transports protons. In this paper, we use molecular dynamics simulations to help elucidate the mechanism of channel gating by four histidines that occlude the channel lumen in the closed state. We test two competing hypotheses. In the "shuttle" mechanism, the delta nitrogen atom on the extracellular side of one histidine is protonated by the incoming proton, and, subsequently, the proton on the epsilon nitrogen atom is released on the opposite side. In the "water-wire" mechanism, the gate opens because of electrostatic repulsion between four simultaneously biprotonated histidines. This allows for proton transport along the water wire that penetrates the gate. For each system, composed of the channel embedded in a hydrated phospholipid bilayer, a 1.3-ns trajectory was obtained. It is found that the states involved in the shuttle mechanism, which contain either single-protonated histidines or a mixture of single-protonated histidines plus one biprotonated residue, are stable during the simulations. Furthermore, the orientations and dynamics of water molecules near the gate are conducive to proton transfer. In contrast, the fully biprotonated state is not stable. Additional simulations show that if only two histidines are biprotonated, the channel deforms but the gate remains closed. These results support the shuttle mechanism but not the gate-opening mechanism of proton gating in M(2).

NASA Center ARC↗

The Calculated and Measured Performance Characteristics of a Heated-Wire Liquid-Water-Content Meter for Measuring Icing Severity

Ground tests have been made of an instrument which, when assembled in a more compact form for flight installation, could be used to obtain statistical flight data on the liquid-water content of icing clouds and to provide an indication of icing severity. The sensing element of the instrument consists of an electrically heated wire which is mounted in the air stream. The degree of cooling of the wire resulting from evaporation of the impinging water droplets is a measure. of the liquid-water content of the cloud. Determination of the value of the liquid-water content from the wire temperature at any instant requires a knowledge of the airspeed, altitude, and air temperature. An analysis was made of the temperature response of a heated wire exposed to an air stream containing water drops. Comparisons were made of the liquid-water content as measured with several heated wires and absorbent cylinders in an artificially produced cloud. For one of the wires, comparative tests were made with a rotating-disk icing-rate meter in an icing wind tunnel. From the test results, it was shown that an instrument for measuring the concentration of liquid water in an air stream can be built using an electrically heated wire of known temperatureresistance characteristics, and that the performance of such a device can be predicted using appropriate theory. Although an instrument in a form suitable for gathering statistical data in flight was not built, the practicability of constructing such an instrument was illustrated. The ground-test results indicated that a flight heated-wire instrument would be simple and durable, would respond rapidly to variations in liquid-water content, and could be used for the measurement of water content in clouds which are above freezing temperature, as well as in icing clouds.

Neel, Carr B.↗

Propagation velocities of laser-produced plasmas from copper wire targets and water droplets

Experiments were performed to determine the plasma propagation velocities resulting from KrF laser irradiation of copper wire target (75 microns diameter) and water droplets (75 microns diameter) at irradiance levels ranging from 25 to 150 GW/sq cm. Plasma propagation velocities were measured using a streak camera system oriented orthogonally to the high-energy laser propagation axis. Plasma velocities were studied as a function of position in the focused beam. Results show that both the shape of the plasma formation and material removal from the copper wire are different and depend on whether the targets are focused or slightly defocused (approximately = 0.5 mm movement in the beam axis). Plasma formation and its position relative to the target is an important factor in determining the practical focal point during high-energy laser interaction with materials. At irradiance of 100 GW/sq cm, the air plasma has two weak-velocity components which propagate toward and away from the incident laser while a strong-velocity component propagates away from the laser beam as a detonation wave. Comparison of the measured breakdown velocities (in the range of 2.22-2.27 x 10(exp 5) m/s) for air and the value calculated by the nonlinear breakdown wave theory at irradiance of 100 GW/sq cm showed a quantitative agreement within approximately 50% while the linear theory and Gaussian pulse theory failed. The detonation wave velocities of plasma generated from water droplets and copper wire targets for different focused cases were measured and analyzed theoretically. The propagation velocities of laser-induced plasma liquid droplets obtained by previous research are compared with current work.

Song, Kyo-Dong↗

Excimer laser produced plasmas in copper wire targets and water droplets

Elastically scattered incident radiation (ESIR) from a copper wire target illuminated by a KrF laser pulse at lambda = 248 nm shows a dinstinct two-peak structure which is dependent on the incident energy. The time required to reach the critical electron density (n(sub c) approximately = 1.8 x 10(exp 22) electrons/cu cm) is estimated at 11 ns based on experimental results. Detailed ESIR characteristics for water have been reported previously by the authors. Initiation of the broadband emission for copper plasma begins at 6.5 +/- 1.45 ns after the arrival of the laser pulse. However, the broadband emission occurs at 11 +/- 0.36 ns for water. For a diatomic substance such as water, the electron energy rapidly dissipates due to dissociation of water molecules, which is absent in a monatomic species such as copper. When the energy falls below the excitation energy of the lowest electron state for water, it becomes a subexcitation electron. Lifetimes of the subexcited electrons to the vibrational states are estimated to be of the order of 10(exp -9) s. In addition, the ionization potential of copper (440-530 nm) is approximately 6 eV, which is about two times smaller than the 13 eV ionization potential reported for water. The higher ionization potential contributes to the longer observed delay time for plasma formation in water. After initiation, a longer time is required for copper plasma to reach its peak value. This time delay in reaching the maximum intensity is attributed to the energy loss during the interband transition in copper.

Song, Kyo-Dong↗

Vibrating-Wire, Supercooled Liquid Water Content Sensor Calibration and Characterization Progress

NASA conducted a winter 2015 field campaign using weather balloons at the NASA Glenn Research Center to generate a validation database for the NASA Icing Remote Sensing System. The weather balloons carried a specialized, disposable, vibrating-wire sensor to determine supercooled liquid water content aloft. Significant progress has been made to calibrate and characterize these sensors. Calibration testing of the vibrating-wire sensors was carried out in a specially developed, low-speed, icing wind tunnel, and the results were analyzed. The sensor ice accretion behavior was also documented and analyzed. Finally, post-campaign evaluation of the balloon soundings revealed a gradual drift in the sensor data with increasing altitude. This behavior was analyzed and a method to correct for the drift in the data was developed.

Icing↗

Vibrating-Wire, Supercooled Liquid Water Content Sensor Calibration and Characterization Progress

NASA conducted a winter 2015 field campaign using weather balloons at the NASA Glenn Research Center to generate a validation database for the NASA Icing Remote Sensing System. The weather balloons carried a specialized, disposable, vibrating-wire sensor to determine supercooled liquid water content aloft. Significant progress has been made to calibrate and characterize these sensors. Calibration testing of the vibrating-wire sensors was carried out in a specially developed, low-speed, icing wind tunnel, and the results were analyzed. The sensor ice accretion behavior was also documented and analyzed. Finally, post-campaign evaluation of the balloon soundings revealed a gradual drift in the sensor data with increasing altitude. This behavior was analyzed and a method to correct for the drift in the data was developed.

Icing↗

Oxidation of High-temperature Alloy Wires in Dry Oxygen and Water Vapor

Small diameter wires (150 to 250 microns) of the high temperature alloys Haynes 188, Haynes 230, Haynes 230, Haynes 214, Kanthal Al and PM2000 were oxidized at 1204 C in dry oxygen or 50% H2O /50% O2 for 70 Hours. The oxidation kinetics were monitored using a thermogravimetric technique. Oxide phase composition and morphology of the oxidized wires were determined by X-ray diffraction,field emission scanning electron microscopy, and energy dispersive spectroscopy. The alumina-forming alloys, Kanthal Al and PM2000, out-performed the chromia-forming alloys under this conditions. PM2000 was recommended as the most promising candidate for advanced hybrid seal applications for space reentry control surface seals or hypersonic propulsion system seals. This study also demonstrated that thermogravimetric analysis of small diameter wires is a powerful technique for the study of oxide volatility, oxide adherence, and breakaway oxidation.

Opila, Elizabeth J.↗

Vibrating-Wire, Supercooled Liquid Water Content Sensor Calibration and Characterization Progress

NASA conducted a winter 2015 field campaign at the NASA Glenn Research Center intended to generate a validation database for the NASA Icing Remote Sensing System. The weather balloons carried a specialized, disposable sensor designed to determine supercooled liquid water content aloft. Significant progress has been made to calibrate and characterize these specialized sensors. Calibration testing of these sensors was carried out in a specially developed, low-speed, icing wind tunnel. The sensor icing behavior was documented and analyzed. Finally, post-campaign evaluation of the balloon soundings revealed a gradual drift in the sensor data with increasing altitude. The behavior was analyzed and a method to account for the drift was developed.

Icing↗

Analysis of Hot-Wire Probe Ice Water Content Measurements in High Ice Water Content Conditions

During the 2022 High Ice Water Content (HIWC) Flight Campaign, ice water content (IWC) measurements were made at various locations on the NASA DC-8 Airborne Science Laboratory using the Isokinetic Probe Version 2 (IKP2), Ice Crystal Detectors (ICD), and Robust Probe. Correlations of a wing mounted ICD to IKP2 were made to determine the collision/retention efficiency of the ICD total water content (TWC) element in glaciated conditions. Similarly, correlations of a nose mounted ICD near the pitot probes were made to the IKP2 and to the wing-mounted ICD to estimate the ice concentration factor near the DC-8 pitot probes. Results from the 2022 flight campaign were compared to results from the HIWC RADAR II flight campaign in 2018. There was an apparent reduction in the ICD TWC collision/retention efficiency during the 2022 flight campaign. Although reasons for this discrepancy were explored, more analyses are needed to fully understand the causes. However, it was concluded that an estimated ice concentration factor at the nose of 2.5 was consistent between the two flight campaigns. Additionally, a correlation model was developed to relate measurements from a Nose ICD to freestream IWC as measured by the IKP2 to support IWC measurements from the 2022 Convective Processes Experiment - Cabo Verde (CPEX-CV) flight campaign.

Icing↗

Analysis of Hot-Wire Probe Ice Water Content Measurements in High Ice Water Content Conditions

During the 2022 High Ice Water Content (HIWC) Flight Campaign, ice water content (IWC) measurements were made at various locations on the NASA DC-8 Airborne Science Laboratory using the Isokinetic Probe Version 2 (IKP2), Ice Crystal Detectors (ICD), and Robust Probe. Correlations of a wing mounted ICD to IKP2 were made to determine the collision/retention efficiency of the ICD total water content (TWC) element in glaciated conditions. Similarly, correlations of a nose mounted ICD near the pitot probes were made to the IKP2 and to the wing-mounted ICD to estimate the ice concentration factor near the DC-8 pitot probes. Results from the 2022 flight campaign were compared to results from the HIWC RADAR II flight campaign in 2018. There was an apparent reduction in the ICD TWC collision/retention efficiency during the 2022 flight campaign. Although reasons for this discrepancy were explored, more analyses are needed to fully understand the causes. However, it was concluded that an estimated ice concentration factor at the nose of 2.5 was consistent between the two flight campaigns. Additionally, a correlation model was developed to relate measurements from a Nose ICD to freestream IWC as measured by the IKP2 to support IWC measurements from the 2022 Convective Processes Experiment - Cabo Verde (CPEX-CV) flight campaign.

Icing↗

Boiling from small cylinders.

Heat transfer is observed as a function of temperature on small horizontal wires in water and four organic liquids. When the wire radius is sufficiently small, the hydrodynamic transitions in the boiling curve disappear and the curve becomes monotonic. Three modes of heat removal are identified for the monotonic curve and described analytically: a natural convection mode, a mixed film boiling and natural convection mode, and a pure film boiling mode. Nucleate boiling does not occur on the small wires. The study was motivated by an interest in predicting the behavior of large heaters at low gravity. The application of the present results to such circumstances is therefore discussed. It is proposed that the peak and minimum heat fluxes will vanish at low gravity as well as on small wires.

Bakhru, N.↗

Computer Simulation Studies of Ion Channel Gating: Characteristics of the M2 Channel of Influenza-A Virus in a Phospholipid Bilayer

The 25 amino acids long, transmembrane fragment of the Influenza virus M2 protein forms a homotetrameric channel that transports protons across lipid bilayers. It has been postulated that high efficiency and selectivity of this process is due to gating by four histidine residues that occlude the channel lumen in the closed state. Two mechanisms of gating have been postulated. In one mechanism, the proton is "shuttled" through the gate by attaching to the delta nitrogen atom on the extracellular side of the imidazole ring, followed by the release of the proton attached to the epsilon nitrogen atom on the opposite side. In the second mechanism, the four histidines move away from each other due to electrostatic repulsion upon protonation, thus opening the gate sufficiently that a wire of water molecules can penetrate the gate. Then, protons are transported by "hopping" along the wire. In this paper, both mechanisms are evaluated in a series of molecular dynamics simulations by investigating stability of different protonation states of the channel that are involved in these mechanisms. For the shuttle mechanism, these are states with all epsilon protonated histidines, one biprotonated residue or one histidine protonated in the delta position. For the gate opening mechanism, this is the state in which all four histidines are biprotonated. In addition, a state with two biprotonated histidines is considered. For each system, composed of the protein channel embedded in phospholipid bilayer located between two water lamellae, a molecular dynamics trajectory of approximately 1.3 ns (after equilibration) was obtained. It is found that the states involved in the shuttle mechanism are stable during the simulations. Furthermore, the orientations and dynamics of water molecules near the gate are conducive to proton transfers involved in the shuttle. In contract, the fully biprotonated state, implicated in the gate opening mechanism, is not stable and the channel looses its structural integrity. If only two histidines are biprotonated the channel deforms but remains intact with the gate mostly closed. In summary, the results of this study lend support to the shuttle mechanism but not to the gate opening mechanism of proton gating in M2.

Schweighofer, Karl J.↗

Simultaneous Ice Water Content Measurements at Multiple Locations on the NASA DC-8 Aircraft during the 2018 HIWC RADAR Flight Campaign

Ice water content measurements were made simultaneously at three locations on the NASA DC-8 in natural, glaciated conditions during the 2018 High Ice Water Content RADAR flight campaign. The purpose of these measurements was to further evaluate efficiency factors of hot-wire total water content probes in glaciated conditions and investigate the enhancement of ice crystal concentrations near fuselage surfaces due to flow field inertial effects, and ice crystals impacting the nose, breaking up, and flowing downstream. The total water content measurements were made using either Science Engineering Associates Ice Crystal Detectors or Robust Probes. Three common sensors were mounted on an underwing canister considered to be in near free-flow conditions, a standoff from a fuselage window, and the nose of the fuselage near the pitot probes. The Ice Crystal Detector total water content sensor and Robust Probe sensor collection and retention efficiencies were evaluated through comparisons with the underwing Ice Crystal Detector and Robust Probe measurements to the IKP2 isokinetic evaporator probe, which provided the reference ice water content measurement. Local ice water content at the nose position was evaluated by comparing ratios of the nose and underwing ice crystal detectors to the IKP2. Local ice water content at the window-standoff location was also evaluated by comparing total water content sensor measurements from the window ice crystal detector to the measurements made with the underwing and nose Ice Crystal Detectors The key findings were: 1) the Ice Crystal Detector total water content sensor ice water content efficiency factor was similar to previous estimates, but reduced with increased ice crystal median mass diameter; 2) the ice water content at the fuselage nose location near the DC-8 pitot probes was approximately 2.5 times the freestream values – although this estimate is affected by a higher probe efficiency factor due to smaller particles in the debris cloud from impacts upstream of the probe; and 3) the ice water content at the 17” standoff from the port window varied from about 50% to 3 times freestream values in a complicated manner. Similar measurement locations are not uncommon on cloud research aircraft, where ice particle measurements may be subject to similar uncertainties.

Aircraft Icing↗

Simultaneous Ice Water Content Measurements at Multiple Locations on the NASA DC-8 Aircraft during the 2018 HIWC RADAR Flight Campaign

Ice water content measurements were made simultaneously at three locations on the NASA DC-8 in natural, glaciated conditions during the 2018 High Ice Water Content RADAR flight campaign. The purpose of these measurements was to further evaluate efficiency factors of hot-wire total water content probes in glaciated conditions and investigate the enhancement of ice crystal concentrations near fuselage surfaces due to flow field inertial effects, and ice crystals impacting the nose, breaking up, and flowing downstream. The total water content measurements were made using either Science Engineering Associates Ice Crystal Detectors or Robust Probes. Three common sensors were mounted on an underwing canister considered to be in near free-flow conditions, a standoff from a fuselage window, and the nose of the fuselage near the pitot probes. The Ice Crystal Detector total water content sensor and Robust Probe sensor collection and retention efficiencies were evaluated through comparisons with the underwing Ice Crystal Detector and Robust Probe measurements to the IKP2 isokinetic evaporator probe, which provided the reference ice water content measurement. Local ice water content at the nose position was evaluated by comparing ratios of the nose and underwing ice crystal detectors to the IKP2. Local ice water content at the window-standoff location was also evaluated by comparing total water content sensor measurements from the window ice crystal detector to the measurements made with the underwing and nose Ice Crystal Detectors The key findings were: 1) the Ice Crystal Detector total water content sensor ice water content efficiency factor was similar to previous estimates, but reduced with increased ice crystal median mass diameter; 2) the ice water content at the fuselage nose location near the DC-8 pitot probes was approximately 2.5 times the freestream values – although this estimate is affected by a higher probe efficiency factor due to smaller particles in the debris cloud from impacts upstream of the probe; and 3) the ice water content at the 17” standoff from the port window varied from about 50% to 3 times freestream values in a complicated manner. Similar measurement locations are not uncommon on cloud research aircraft, where ice particle measurements may be subject to similar uncertainties.

o Aircraft Icing↗

Simultaneous Ice Water Content Measurements at Multiple Locations on the NASA DC-8 Aircraft during the 2018 HIWC RADAR Flight Campaign

Ice water content measurements were made simultaneously at three locations on the NASA DC-8 in natural, glaciated conditions during the 2018 High Ice Water Content RADAR flight campaign. The purpose of these measurements was to further evaluate efficiency factors of hot-wire total water content probes in glaciated conditions and investigate the enhancement of ice crystal concentrations near fuselage surfaces due to flow field inertial effects, and ice crystals impacting the nose, breaking up, and flowing downstream. The total water content measurements were made using either Science Engineering Associates Ice Crystal Detectors or Robust Probes. Three common sensors were mounted on an underwing canister considered to be in near free-flow conditions, a standoff from a fuselage window, and the nose of the fuselage near the pitot probes. The Ice Crystal Detector concave total water content sensor and Robust Probe sensor collection and retention efficiencies were evaluated through comparisons with the underwing Ice Crystal Detector and Robust Probe measurements to the Isokinetic Probe version 2 (IKP2), which provided the reference ice water content measurement. Local ice water content at the nose position was evaluated by comparing ratios of the nose and underwing ice crystal detectors to the IKP2. Local ice water content at the window-standoff location was also evaluated by comparing total water content sensor measurements from the window probes to the measurements made with the underwing and nose probes. The key findings were: (1) the Ice Crystal Detector concave water content sensor efficiency factor to glaciated conditions was similar to previous estimates, but reduced with increased ice crystal median mass diameter; (2) the ice water content at the fuselage nose location near the DC-8 pitot probes was approximately 2.5 times the freestream values—although this estimate is affected by a higher probe efficiency factor due to smaller particles in the debris cloud from impacts upstream of the probe; and (3) the ice water content at the 17 in. standoff from the port window varied from about 50 percent to nearly three times freestream values in a complicated manner. Similar measurement locations are not uncommon on cloud research aircraft, where ice particle measurements may be subject to similar uncertainties.

Aircraft Icing↗