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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Exploring the fragmentation efficiency of proteins analyzed by MALDI-TOF-TOF tandem mass spectrometry using computational and statistical analyses

Matrix-assisted laser desorption/ionization time-of-flight-time-of-flight (MALDI-TOF-TOF) tandem mass spectrometry (MS/MS) is a rapid technique for identifying intact proteins from unfractionated mixtures by top-down proteomic analysis. MS/MS allows isolation of specific intact protein ions prior to fragmentation, allowing fragment ion attribution to a specific precursor ion. However, the fragmentation efficiency of mature, intact protein ions by MS/MS post-source decay (PSD) varies widely, and the biochemical and structural factors of the protein that contribute to it are poorly understood. With the advent of protein structure prediction algorithms such as Alphafold2, we have wider access to protein structures for which no crystal structure exists. In this work, we use a statistical approach to explore the properties of bacterial proteins that can affect their gas phase dissociation via PSD. We extract various protein properties from Alphafold2 predictions and analyze their effect on fragmentation efficiency. Our results show that the fragmentation efficiency from cleavage of the polypeptide backbone on the C-terminal side of glutamic acid (E) and asparagine (N) residues were nearly equal. In addition, we found that the rearrangement and cleavage on the C-terminal side of aspartic acid (D) residues that result from the aspartic acid effect (AAE) were higher than for E- and N-residues. From residue interaction network analysis, we identified several local centrality measures and discussed their implications regarding the AAE. We also confirmed the selective cleavage of the backbone at D-proline bonds in proteins and further extend it to N-proline bonds. Finally, we note an enhancement of the AAE mechanism when the residue on the C-terminal side of D-, E- and N-residues is glycine. To the best of our knowledge, this is the first report of this phenomenon. Our study demonstrates the value of using statistical analyses of protein sequences and their predicted structures to better understand the fragmentation of the intact protein ions in the gas phase.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1999

Diagnostic for Plasma Enhanced Chemical Vapor Deposition and Etch Systems

In order to meet NASA's requirements for the rapid development and validation of future generation electronic devices as well as associated materials and processes, enabling technologies ion the processing of semiconductor materials arising from understanding etch chemistries are being developed through a research collaboration between Stanford University and NASA-Ames Research Center, Although a great deal of laboratory-scale research has been performed on many of materials processing plasmas, little is known about the gas-phase and surface chemical reactions that are critical in many etch and deposition processes, and how these reactions are influenced by the variation in operating conditions. In addition, many plasma-based processes suffer from stability and reliability problems leading to a compromise in performance and a potentially increased cost for the semiconductor manufacturing industry. Such a lack of understanding has hindered the development of process models that can aid in the scaling and improvement of plasma etch and deposition systems. The research described involves the study of plasmas used in semiconductor processes. An inductively coupled plasma (ICP) source in place of the standard upper electrode assembly of the Gaseous Electronics Conference (GEC) radio-frequency (RF) Reference Cell is used to investigate the discharge characteristics and chemistries. This ICP source generates plasmas with higher electron densities (approximately 10(exp 12)/cu cm) and lower operating pressures (approximately 7 mTorr) than obtainable with the original parallel-plate version of the GEC Cell. This expanded operating regime is more relevant to new generations of industrial plasma systems being used by the microelectronics industry. The motivation for this study is to develop an understanding of the physical phenomena involved in plasma processing and to measure much needed fundamental parameters, such as gas-phase and surface reaction rates. species concentration, temperature, ion energy distribution, and electron number density. A wide variety of diagnostic techniques are under development through this consortium grant to measure these parameters. including molecular beam mass spectrometry (MBMS). Fourier transform infrared (FTIR) spectroscopy, broadband ultraviolet (UV) absorption spectroscopy, a compensated Langmuir probe. Additional diagnostics. Such as microwave interferometry and microwave absorption for measurements of plasma density and radical concentrations are also planned.

Cappelli, Mark A.↗
NASA NTRS2004

Reduced Gravity Studies of Soret Transport Effects in Liquid Fuel Combustion

Soret transport, which is mass transport driven by thermal gradients, can be important in practical flames as well as laboratory flames by influencing transport of low molecular weight species (e.g., monatomic and diatomic hydrogen). In addition, gas-phase Soret transport of high molecular weight fuel species that are present in practical liquid fuels (e.g., octane or methanol) can be significant in practical flames (Rosner et al., 2000; Dakhlia et al., 2002) and in high pressure droplet evaporation (Curtis and Farrell, 1992), and it has also been shown that Soret transport effects can be important in determining oxygen diffusion rates in certain classes of microgravity droplet combustion experiments (Aharon and Shaw, 1998). It is thus useful to obtain information on flames under conditions where Soret effects can be clearly observed. This research is concerned with investigating effects of Soret transport on combustion of liquid fuels, in particular liquid fuel droplets. Reduced-gravity is employed to provide an ideal (spherically-symmetrical) experimental model with which to investigate effects of Soret transport on combustion. The research will involve performing reduced-gravity experiments on combustion of liquid fuel droplets in environments where Soret effects significantly influence transport of fuel and oxygen to flame zones. Experiments will also be performed where Soret effects are not expected to be important. Droplets initially in the 0.5 to 1 mm size range will be burned. Data will be obtained on influences of Soret transport on combustion characteristics (e.g., droplet burning rates, droplet lifetimes, gas-phase extinction, and transient flame behaviors) under simplified geometrical conditions that are most amenable to theoretical modeling (i.e., spherical symmetry). The experiments will be compared with existing theoretical models as well as new models that will be developed. Normal gravity experiments will also be performed.

Shaw, Benjamin D.↗
NASA NTRS1995

Solid surface combustion experiment flame spread in a quiescent, microgravity environment implications of spread rate and flame structure

A unique environment in which flame spreading, a phenomenon of fundamental, scientific interest, has importance to fire safety is that of spacecraft in which the gravitational acceleration is low compared with that of the Earth, i.e., microgravity. Experiments aboard eight Space Shuttle missions between October 1990 and February 1995 were conducted using the Solid Surface Combustion Experiment (SSCE) payload apparatus in an effort to determine the mechanisms of gas-phase flame spread over solid fuel surfaces in the absence of any buoyancy induced or externally imposed oxidizer flow. The overall SSCE effort began in December of 1984. The SSCE apparatus consists of a sealed container, approximately 0.039 cu m, that is filled with a specified O2/N2 mixture at a prescribed pressure. Five of the experiments used a thin cellulosic fuel, ashless filter paper, 3 cm wide x 10 cm long, 0.00825 cm half-thickness, ignited in five different ambient conditions. Three of the experiments, the most recent, used thick polymethylmethacrylate (PMMA) samples 0.635 cm wide x 2 cm long, 0.32 cm half-thickness. Three experiments, STS 41, 40 and 43, were designed to evaluate the effect of ambient pressure on flame spread over the thin cellulosic fuel while flights STS 50 and 47 were at the same pressure as two of the earlier flights but at a lower oxygen concentration in order to evaluate the effect of ambient oxygen level on the flame spread process at microgravity. For the PMMA flights, two experiments, STS 54 and 63, were at the same pressure but different oxygen concentrations while STS 64 was at the same oxygen concentration as STS 63 but at a higher pressure. Two orthogonal views of the experiments were recorded on 16 mm cine-cameras operating at 24 frames/s. In addition to filmed images of the side view of the flames and surface view of the burning samples, solid- and gas-phase temperatures were recorded using thermocouples. The experiment is battery powered and follows an automated sequence upon activation by the Shuttle Crew. In this study we separate the SSCE data into two groups according to the fuel type: (1) thin cellulose; and (2) thick PMMA. The experimental spread rates are compared with prediction from a number of models in an effort to uncover the important physics that characterize microgravity flame spread. Both steady and unsteady solutions are employed to explore the flame evolution, especially for thick fuels. Finally, the flame structure in downward spread is compared with the microgravity flame structure and modeling results to delineate the difference between the two configurations and the influence of normal gravity.

Bundy, Matthew↗
NASA NTRS2013

Towards Probablistic Assessment of Hypobaric Decompression Sickness Treatment

INTRODUCTION: Pressure, oxygen (O2), and time are the pillars to effective treatment of decompression sickness (DCS). The NASA DCS Treatment Model links a decrease in computed bubble volume to the resolution of a symptom. The decrease in volume is realized in two stages: a) during the Boyle's Law compression and b) during subsequent dissolution of the gas phase by the O2 window. METHODS: The cumulative distribution of 154 symptoms that resolved during repressurization was described with a log-logistic density function of pressure difference (deltaP as psid) associated with symptom resolution and two other explanatory variables. The 154 symptoms originated from 119 cases of DCS during 969 exposures in 47 different altitude tests. RESULTS: The probability of symptom resolution [P(symptom resolution)] = 1 / (1+exp(- (ln(deltaP) - 1.682 + 1.089×AMB - 0.00395×SYMPTOM TIME) / 0.633)), where AMB is 1 when the subject ambulated as part of the altitude exposure or else 0 and SYMPTOM TIME is the elapsed time in min from start of the altitude exposure to recognition of a DCS symptom. The P(symptom resolution) was estimated from computed deltaP from the Tissue Bubble Dynamics Model based on the "effective" Boyle's Law change: P2 - P1 (deltaP, psid) = P1×V1/V2 - P1, where V1 is the computed volume of a spherical bubble in a unit volume of tissue at low pressure P1 and V2 is computed volume after a change to a higher pressure P2. V2 continues to decrease through time at P2, at a faster rate if 100% ground level O2 was breathed. The computed deltaP is the effective treatment pressure at any point in time as if the entire deltaP was just from Boyle's Law compression. DISCUSSION: Given the low probability of DCS during extravehicular activity and the prompt treatment of a symptom with options through the model it is likely that the symptom and gas phase will resolve with minimum resources and minimal impact on astronaut health, safety, and productivity.

Conkin, J.↗
NASA NTRS2001

Filtration Combustion in Smoldering and SHS

Smolder waves and SHS (self-propagating high-temperature synthesis) waves are both examples of filtration combustion waves propagating in porous media. Smoldering combustion is important for the study of fire safety. Smoldering itself can cause damage, its products are toxic and it can also lead to the more dangerous gas phase combustion which corresponds to faster propagation at higher temperatures. In SHS , a porous solid sample, consisting of a finely ground powder mixture of reactants, is ignited at one end. A high temperature thermal wave, having a frontal structure, then propagates through the sample converting reactants to products. The SHS technology appears to enjoy a number of advantages over the conventional technology, in which the sample is placed in a furnace and "baked" until it is "well done". The advantages include shorter synthesis times, greater economy, in that the internal energy of the reactions is employed rather than the costly external energy of the furnace, purer products, simpler equipment and no intrinsic limitation on the size of the sample to be synthesized as exists in the conventional technology. When delivery of reactants through the pores to the reaction site is an important aspect of the combustion process, it is referred to as filtration combustion. The two types of filtration combustion have a similar mathematical formulation, describing the ignition, propagation and extinction of combustion waves in porous media. The goal in each case, however, is different. In smoldering the desired goal is to prevent propagation, whereas in SHS the goal is to ensure propagation of the combustion wave, leading to the synthesis of desired products. In addition, the scales in the two areas of application differ. Smoldering generally occurs at lower temperatures and propagation velocities than in SHS nevertheless, the two applications have much in common so that what is learned fit make application can be used to advantage in the other. In porous media, melting often occurs ahead of the propagating combustion wave. In certain cases there is so much melting that the porous solid structure is destroyed, e.g., by melting and a suspension arises, consisting of a liquid bath containing solid particles and/or gas bubbles. The resulting combustion wave is referred to as a liquid flame. We have considered a number of problems involving filtration combustion. Here, we describe four such studies: (A) rapid buoyant filtration combustion waves; (B) diffusion driven combustion waves; (C) rapidly propagating liquid flames in gravitational fields; and (D) gas-phase influence on liquid flames in gravitational fields.

Matkowsky, Bernard J.↗
NASA NTRS2014

Probabilistic Assessment of Hypobaric Decompression Sickness Treatment Success

The Hypobaric Decompression Sickness (DCS) Treatment Model links a decrease in computed bubble volume from increased pressure (DeltaP), increased oxygen (O2) partial pressure, and passage of time during treatment to the probability of symptom resolution [P(symptom resolution)]. The decrease in offending volume is realized in 2 stages: a) during compression via Boyle's Law and b) during subsequent dissolution of the gas phase via the O2 window. We established an empirical model for the P(symptom resolution) while accounting for multiple symptoms within subjects. The data consisted of 154 cases of hypobaric DCS symptoms along with ancillary information from tests on 56 men and 18 women. Our best estimated model is P(symptom resolution) = 1 / (1+exp(-(ln(Delta P) - 1.510 + 0.795×AMB - 0.00308×Ts) / 0.478)), where (DeltaP) is pressure difference (psid), AMB = 1 if ambulation took place during part of the altitude exposure, otherwise AMB = 0; and where Ts is the elapsed time in mins from start of the altitude exposure to recognition of a DCS symptom. To apply this model in future scenarios, values of DeltaP as inputs to the model would be calculated from the Tissue Bubble Dynamics Model based on the effective treatment pressure: (DeltaP) = P2 - P1 | = P1×V1/V2 - P1, where V1 is the computed volume of a spherical bubble in a unit volume of tissue at low pressure P1 and V2 is computed volume after a change to a higher pressure P2. If 100% ground level O2 (GLO) was breathed in place of air, then V2 continues to decrease through time at P2 at a faster rate. This calculated value of (DeltaP then represents the effective treatment pressure at any point in time. Simulation of a "pain-only" symptom at 203 min into an ambulatory extravehicular activity (EVA) at 4.3 psia on Mars resulted in a P(symptom resolution) of 0.49 (0.36 to 0.62 95% confidence intervals) on immediate return to 8.2 psia in the Multi-Mission Space Exploration Vehicle. The P(symptom resolution) increased to near certainty (0.99) after 2 hrs of GLO at 8.2 psia or with less certainty on immediate pressurization to 14.7 psia [0.90 (0.83 - 0.95)]. Given the low probability of DCS during EVA and the prompt treatment of a symptom with guidance from the model, it is likely that the symptom and gas phase will resolve with minimum resources and minimal impact on astronaut health, safety, and productivity.

Conkin, Johnny↗
NASA NTRS1968

Axisymmetric two-phase perfect gas performance program

Computer program calculates the inviscid axisymmetric nozzle expansion of propellant systems having both gaseous and condensed exhaust products. The program uses velocity and thermal lags and will perform calculations for contoured and conical nozzles.

Kliegel, J. R.↗
NASA NTRS1968

One-dimensional two-phase reacting gas nonequilibrium performance program

Computer program calculates the inviscid one-dimensional equilibrium, frozen, and nonequilibrium nozzle expansion of propellant exhaust mixtures containing carbon, hydrogen, oxygen, nitrogen, fluorine, chlorine and either aluminum, beryllium, boron or lithium. This program performs calculations for conical nozzles only.

Cherry, S. S.↗
NASA NTRS1982

Low NO sub x heavy fuel combustor concept program phase 1A gas tests

The emissions performance of a rich lean combustor (developed for liquid fuels) for combustion of simulated coal gases ranging in heating value from 167 to 244 Btu/scf were assessed. The 244 Btu/scf gas is typical of the product gas from an oxygen blown gasifier, while the 167 Btu/scf gas is similar to that from an air blown gasifier. Although meeting NOx goals for the 167 Btu/scf gas, NOx performance of the rich lean combustor did not meet program goals with the 244 Btu/scf gas because of high thermal NOx, similar to levels expected from conventional lean burning combustors. The NOx emissions are attributed to inadequate fuel air mixing in the rich stage resulting from the design of the large central fuel nozzle delivering 71% of the total gas flow. NOx generation from NH3 was significant at ammonia concentrations significantly less tha 0.5%. These levels occur depending on fuel gas cleanup system design, However, NOx yield from ammonia injected into the fuel gas decreased rapidly with increasing ammonia level, and is projected to be less than 10% at NH3 levels of 0.5% or higher.

Cutrone, M. B.↗
NASA NTRS1982

Observation of interstellar ammonia ice

An absorption band probably due to solid ammonia on interstellar grains has been detected in the infrared spectrum at 2.97 microns of the Becklin-Neugebauer object and probably in NGC 2264-IR. An ammonia-water amorphous ice mixture can explain the structure of the new band and of the 3.07 microns interstellar absorption. Laboratory data suggest that a long wavelength wind extending to 3.5 microns in interstellar dust spectra may be absorption by NH3-H2O complexes in the ices. In the molecular cloud obscuring the BN object, about 20 times as much NH3 is frozen in grains as exists in the gas phase, suggesting the gas-grain interactions may be important in the ammonia chemistry of molecular clouds. Arguments are given that interstellar features at 6.0 and 6.8 microns are also ammonia-related absorptions.

Knacke, R. F.↗
NASA NTRS1995

Candle flames in microgravity

The candle flame in both normal and microgravity is non-propagating. In microgravity, however, the candle flame is also non-convective where (excepting Stefan flow) pure diffusion is the only transport mode. It also shares many characteristics with another classical problem, that of isolated droplet combustion. Given their qualitatively similar flame shapes and the required heat feedback to condensed-phase fuels, the gas-phase flow and temperature fields should be relatively similar for a droplet and a candle in reduced gravity. Unless the droplet diameter is maintained somehow through non-intrusive replenishment of fuel, the quasi-steady burning characteristics of a droplet can be maintained for only a few seconds. In contrast, the candle flame in microgravity may achieve a nearly steady state over a much longer time and is therefore ideal for examining a number of combustion-related phenomena. In this paper, we examine candle flame behavior in both short-duration and long-duration, quiescent, microgravity environments. Interest in this type of flame, especially 'candle flames in weightlessness', is demonstrated by very frequent public inquiries. The question is usually posed as 'will a candle flame burn in zero gravity', or, 'will a candle burn indefinitely (or steadily) in zero gravity in a large volume of quiescent air'. Intuitive speculation suggests to some that, in the absence of buoyancy, the accumulation of products in the vicinity of the flame will cause flame extinction. The classical theory for droplet combustion with its spherically-shaped diffusion flame, however, shows that steady combustion is possible in the absence of buoyancy if the chemical kinetics are fast enough. Previous experimental studies of candle flames in reduced and microgravity environments showed the flame could survive for at least 5 seconds, but did not reach a steady state in the available test time.

Dietrich, D. L.↗
NASA NTRS1994

Choked flow effects in the NSI driven pin puller

This paper presents an analysis for pyrotechnic combustion and pin motion in the NASA Standard Initiator (NSI) actuated pin puller. The conservation principles and constitutive relations for a multi-phase system are posed and reduced to a set of eight ordinary differential equations which are solved to predict the system performance. The model tracks the interactions of the unreacted, incompressible solid pyrotechnic, incompressible condensed phase combustion products, and gas phase combustion products. The model accounts for multiple pyrotechnic grains, variable burn surface area, and combustion product mass flow rates through an orifice located within the device. Pressure-time predictions compare favorably with experimental data. Results showing model sensitivity to changes in the cross-sectional area of the orifice are presented.

Gonthier, Keith A.↗
NASA NTRS1995

A Model Simulation of Pinatubo Volcanic Aerosols in the Stratosphere

A one-dimensional, time-dependent model is used to study the chemical, microphysical, and radiative properties of volcanic aerosols produced by the Mount Pinatubo eruption on June 15, 1991. Our model treats gas-phase sulfur photochemistry, gas-to-particle conversion of sulfur, and the microphysics of sulfate aerosols and ash particles under stratospheric conditions. The dilution and diffusion of the volcanic eruption clouds are also accounted for in these conditions. Heteromolecular homogeneous and heterogeneous binary H2SO4/H2O nucleation, acid and water condensational growth, coagulation, and gravitational sedimentation are treated in detail in the model. Simulations suggested that after several weeks, the volcanic cloud was composed mainly of sulfuric acid/water droplets produced in situ from the SO2 emissions. The large amounts of SO2 (around 20 Mt) injected into the stratosphere by the Pinatubo eruption initiated homogeneous nucleation which generated a high concentration of small H2SO4/H2O droplets. These newly formed particles grew rapidly by condensation and coagulation in the first few months and then reach their stabilized sizes with effective radii in a range between 0.3 and 0.5 micron approximately one-half year after the eruption. The predicted volcanic cloud parameters reasonably agree with measurements in term of the vertical distribution and lifetime of the volcanic aerosols, their basic microphysical structures (e.g., size distribution, concentration, mass ratio, and surface area) and radiative properties. The persistent volcanic aerosols can produce significant anomalies in the radiation field, which have important climatic consequences. The large enhancement in aerosol surface area can result in measurable global stratospheric ozone depletion.

Zhao , Jing-xia↗
NASA NTRS2002

The Three-Dimensional Combustion of Heterogeneous Propellants

A numerical framework is described which permits the calculation of the 3-D combustion field supported by a heterogeneous propellant, allowing for complete coupling between the condensed phase physics, the gas-phase physics, and the unsteady, uneven, regressing surface. A random packing algorithm is used to construct models of ammonium-perchlorate in hydroxyl-terminated-polybutadiene propellants which mimic experimental propellants designed by R. Miller, and these are numerically burnt. Mean burning rates are compared with experimental data for four packs, over a pressure range of 7-200atm.

Massa, L.↗
NASA NTRS2004

The Interaction of Hot and Cold Gas in the Disk and Halo of Galaxies

Most of the thermal energy in the Galaxy and perhaps most of the baryons in the Universe are found in hot (log T approximately 5.5 - 7) gas. Hot gas is detected in the local interstellar medium, in supernova remnants (SNR), the Galactic halo, galaxy clusters and the intergalactic medium (IGM). In our own Galaxy, hot gas exists in large superbubbles up to several hundred pc in diameter that locally dominate the interstellar medium (ISM) and determine its thermal and dynamic evolution. While X-ray observations using ROSAT, Chandra and XMM have allowed us to make dramatic progress in mapping out the morphology of the hot gas and in understanding some of its spectral characteristics, there remain fundamental questions that are unanswered. Chief among these questions is the way that hot gas interacts with cooler phase gas and the effects these interactions have on hot gas energetics. The theoretical investigations we proposed in this grant aim to explore these interactions and to develop observational diagnostics that will allow us to gain much improved information on the evolution of hot gas in the disk and halo of galaxies. The first of the series of investigations that we proposed was a thorough exploration of turbulent mixing layers and cloud evaporation. We proposed to employ a multi-dimensional hydrodynamical code that includes non-equilibrium ionization (NEI), radiative cooling and thermal conduction. These models are to be applied to high velocity clouds in our galactic halo that are seen to have O VI by FUSE (Sembach et ai. 2000) and other clouds for which sufficient constraining observations exist.

Slavin, Jonathan↗