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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 181 records · Page 10

Microwave, Millimeter, Submillimeter, and Far Infrared Spectral Databases

The spectrum of most known astrophysical molecules is derived from transitions between a few hundred to a few hundred thousand energy levels populated at room temperature. In the microwave and millimeter wave regions. spectroscopy is almost always performed with traditional microwave techniques. In the submillimeter and far infrared microwave technique becomes progressively more technologically challenging and infrared techniques become more widely employed as the wavelength gets shorter. Infrared techniques are typically one to two orders of magnitude less precise but they do generate all the strong features in the spectrum. With microwave technique, it is generally impossible and rarely necessary to measure every single transition of a molecular species, so careful fitting of quantum mechanical Hamiltonians to the transitions measured are required to produce the complete spectral picture of the molecule required by astronomers. The fitting process produces the most precise data possible and is required in the interpret heterodyne observations. The drawback of traditional microwave technique is that precise knowledge of the band origins of low lying excited states is rarely gained. The fitting of data interpolates well for the range of quantum numbers where there is laboratory data, but extrapolation is almost never precise. The majority of high resolution spectroscopic data is millimeter or longer in wavelength and a very limited number of molecules have ever been studied with microwave techniques at wavelengths shorter than 0.3 millimeters. The situation with infrared technique is similarly dire in the submillimeter and far infrared because the black body sources used are competing with a very significant thermal background making the signal to noise poor. Regardless of the technique used the data must be archived in a way useful for the interpretation of observations.

Pearson, J. C.↗

Enzymatic Activity Detection via Electrochemistry for Enceladus

Electrochemical detection of biological molecules is a pertinent topic and application in many fields such as medicine, environmental spills, and life detection in space. Proteases, a class of molecules of interest in the search for life, catalyze the hydrolysis of peptides. Trypsin, a specific protease, was chosen to investigate an optimized enzyme detection system using electrochemistry. This study aims at providing the ideal functionalization of an electrode that can reliably detect a signal indicative of an enzymatic reaction from an Enceladus sample.

astrobiolog↗

Copernicus observational searches for OH and H2O in diffuse clouds

An intensive search for OH and H2O in the directions of Sigma Sco, Alpha Cam, and Omicron Per was undertaken with the Copernicus satellite. Multiple scans were carried out over the wavelength region for the expected absorption features due to the OH D-X and H2O C-X transitions. The feature due to OH was possibly detected toward Sigma Sco, and only an upper limit can be given toward Alpha Cam. H2O was not detected in any of the stars at the signal level accumulated. The OH abundance toward Sigma Sco and the respective lower limits for the OH/H2O ratios are discussed with regard to the extant models for the steady-state abundances of OH and H2O, and shown not to be inconsistent with ion-molecule schemes.

Smith, W. H.↗

The physical basis for absorption of light

The effects of light absorption on the wave functions of gas-phase molecules and atoms are investigated by high resolution spectral measurements of radiation emerging from a sample. A Stark-modulated sample of methyl fluoride was irradiated at the 102 GHz rotational transition and the emergent radiation was resolved by means of a spectrum analyzer. For signal oscillator frequencies below or above the molecular resonance by one modulation frequency, the amplitudes of the upper and lower modulation sidebands are found to be of nonuniform intensity, which is inconsistent with amplitude modulation. Emission due to polarization is, however, calculated to be consistent with the results observed, indicating that light absorption should be considered as a subtractive stimulated emission.

Pickett, H. M.↗

The interhalogens IF and ICI as visible oscillators or amplifiers

The kinetic and spectroscopic properties of the interhalogens are reviewed, with emphasis on the iodine-monochloride (ICl) and iodine-monofluoride (IF) systems; the latter having produced 140 kW, 30 nsec FWHM pulses at 491 and 485 nm and may be scaled to the tens of millijoules per pulse level. Gain in excess of 1.0%/cm was observed across the entire IF blue-green band, demonstrating potentially wide tunability. Although ICl has not yet lased, its peak small-signal gain of 1.3%/cm and negligible background absorption in discharge plasmas make it an attractive candidate for a violet amplifier. The formation kinetics of IF- and ICl-excimer lasers in electron beam or discharge-produced plasmas, and the potential and limitations of these molecules as visible lasers or amplifiers are also discussed.

Eden, J. G.↗

Modeling beta-adrenergic control of cardiac myocyte contractility in silico

The beta-adrenergic signaling pathway regulates cardiac myocyte contractility through a combination of feedforward and feedback mechanisms. We used systems analysis to investigate how the components and topology of this signaling network permit neurohormonal control of excitation-contraction coupling in the rat ventricular myocyte. A kinetic model integrating beta-adrenergic signaling with excitation-contraction coupling was formulated, and each subsystem was validated with independent biochemical and physiological measurements. Model analysis was used to investigate quantitatively the effects of specific molecular perturbations. 3-Fold overexpression of adenylyl cyclase in the model allowed an 85% higher rate of cyclic AMP synthesis than an equivalent overexpression of beta 1-adrenergic receptor, and manipulating the affinity of Gs alpha for adenylyl cyclase was a more potent regulator of cyclic AMP production. The model predicted that less than 40% of adenylyl cyclase molecules may be stimulated under maximal receptor activation, and an experimental protocol is suggested for validating this prediction. The model also predicted that the endogenous heat-stable protein kinase inhibitor may enhance basal cyclic AMP buffering by 68% and increasing the apparent Hill coefficient of protein kinase A activation from 1.0 to 2.0. Finally, phosphorylation of the L-type calcium channel and phospholamban were found sufficient to predict the dominant changes in myocyte contractility, including a 2.6x increase in systolic calcium (inotropy) and a 28% decrease in calcium half-relaxation time (lusitropy). By performing systems analysis, the consequences of molecular perturbations in the beta-adrenergic signaling network may be understood within the context of integrative cellular physiology.

Non-NASA Center↗

Detectability limit and uncertainty considerations for laser induced fluorescence spectroscopy in flames

Laser induced fluorescence spectroscopy of flames is discussed, and derived uncertainty relations are used to calculate detectability limits due to statistical errors. Interferences due to Rayleigh scattering from molecules as well as Mie scattering and incandescence from particles have been examined for their effect on detectability limits. Fluorescence trapping is studied, and some methods for reducing the effect are considered. Fluorescence trapping places an upper limit on the number density of the fluorescing species that can be measured without signal loss.

Daily, J. W.↗

Membrane-Based Functions in the Origin of Cellular Life

If peptides consist of nonpolar residues only, they become inserted into the nonpolar phase. As demonstrated by the example of the leucine undecamer, such peptides fold into an a-helix as they partition into the nonpolar medium. The folding proceeds through an intermediate, called the 310-helix, which remains in equilibrium with the a-helix. This process represents a simple, protobiologically relevant example of environmentally-mediated self-organization of biological molecules. Once in the nonpolar environment, the peptides can readily change their orientation with respect to the interface from parallel to perpendicular, especially in response to local electric fields. The ability of nonpolar peptides to modify both the structure and orientation with changing external conditions may have provided a simple mechanism of transmitting signals from the environment to the interior of a protocell.

Wilson, Michael↗

CH3OH and HCN in Interstellar Comet 3I/ATLAS Mapped with the ALMA Atacama Compact Array: Distinct Outgassing Behaviors and a Remarkably High CH3OH/HCN Production Rate Ratio

We report the detection of methanol (CH3OH) toward interstellar comet 3I/ATLAS using the At-acama Compact Array of the Atacama Large Millimeter/Submillimeter Array (ALMA) on UT 2025 August 28, September 18 and 22, and October 1, and of hydrogen cyanide (HCN) on September 12 and 15. These observations spanned pre-perihelion heliocentric distances (r H ) of 2.6 – 1.7 au. The molecules showed outgassing patterns distinct from one another, with HCN production being depleted in the sunward hemisphere of the coma, whereas CH3OH was enhanced in that direction. Statistical analysis of molecular scale lengths in 3I/ATLAS indicated that CH3OH included production from coma sources at Lp > 258 km at 99% confidence. However low signal-to-noise on long baselines, which sample emission on small spatial scales closest to the nucleus, prevented definitively ruling out CH3OH as purely a parent species. In contrast, HCN production was indistinguishable from direct nucleus sublimation. The CH3OH production rate increased sharply from August through October, including an uptick near the inner edge of the H2O sublimation zone at rH = 2 au. Compared to comets measured to date at radio wavelengths, the derived CH3OH/HCN ratios in 3I/ATLAS of 124+30−34 and 79+11−14on September 12 and 15, respectively, are among the most enriched values measured in any comet, surpassed only by anomalous solar system comet C/2016 R2 (PanSTARRS)

Comae↗

Optimization of microscopic and macroscopic second order optical nonlinearities

Nonlinear optical materials (NLO) can be used to extend the useful frequency range of lasers. Frequency generation is important for laser-based remote sensing and optical data storage. Another NLO effect, the electro-optic effect, can be used to modulate the amplitude, phase, or polarization state of an optical beam. Applications of this effect in telecommunications and in integrated optics include the impression of information on an optical carrier signal or routing of optical signals between fiber optic channels. In order to utilize these effects most effectively, it is necessary to synthesize materials which respond to applied fields very efficiently. In this talk, it will be shown how the development of a fundamental understanding of the science of nonlinear optics can lead to a rational approach to organic molecules and materials with optimized properties. In some cases, figures of merit for newly developed materials are more than an order of magnitude higher than those of currently employed materials. Some of these materials are being examined for phased-array radar and other electro-optic switching applications.

Marder, Seth R.↗

Research on Spectroscopy, Opacity, and Atmospheres

For planetary and telluric atmosphere projects the solar irradiance spectrum is required as the input at the top of the atmosphere. It has never been observed. People ask me to compute it. I can compute it theoretically using both known and predicted lines and get agreement averaged over a nanometer but there is no way to predict the resolved spectrum when only half the lines are known. In other stars the situation is worse because the signal-to-noise and resolution of the observations are worse. Logically one has to know a priori what is in the spectrum in order to interpret it; there is not enough information in the observed spectrum itself (qualifiers are given). Basically we need a list of all the energy levels of all atoms and molecules that matter. From that list can be generated all the lines. With the energy levels and line positions known, one can measure gf values, lifetimes, damping, or one can determine a theoretical or semiempirical Hamiltonian whose eigenvalues and eigenvectors produce a good match to the observed data, and that can then be used to generate additional radiative and collisional data for atoms or molecules.

Kurucz, Robert L.↗

A Comparison of NO Laser-Induced Fluorescence Models at Conditions Relevant to Supersonic and Hypersonic Flows

Planar laser-induced fluorescence (PLIF) of the nitric oxide (NO) molecule has been widely used in wind tunnel facilities for flow visualization, velocity, and temperature measurements. The experimental PLIF measurements are often compared with synthetic PLIF images using computationally derived temperatures, pressures, velocities, and species mole fractions. This approach is commonly referred to as computational flow imaging (CFI). In the present work, we compare signal intensity from PLIF models with experimental PLIF measurements obtained within a low pressure gas cell system at pressures and NO mole fractions relevant to supersonic and hypersonic flowfields. Experimental measurements were compared to several different laser induced-fluorescence models reported in the literature including LIFBASE, LINUS, and a NASA two-level model. The experimental measurements agreed well with all of the models at lower pressures and lower NO mole fractions; the fluorescence there is linear with both of these parameters. However, at higher pressures and mole fractions, the signal becomes nonlinear with respect to these parameters as self-quenching limits the signal and absorption further limits the signal. In fact, for the experimental path length of the experiment, the combination of high pressure and high NO mole fraction causes the experimental results to deviate significantly from the predicted results that neglect absorption of the incident laser sheet. The LINUS model, which allows absorption to be calculated, provided results that agreed better with the experimental measurements. Since supersonic and hypersonic flowfields may contain a region of the flow with high pressures and measurements in large-scale facilities often include a long path length, neglecting absorption may have a significantly negative effect on the CFI comparison to experimental PLIF images. As a result, PLIF models that account for absorption should be included in computational flow imaging approaches for laser induced fluorescence.

laser-induced fluorescence↗

Separation of isobaric Amino Acids and Small Molecule Metabolites Using Multipass Ion Mobility Analysis

Amino acids along with small molecule metabolites are important biomarkers for the study and detection of diseases that are initially analyzed in untargeted omics fashion. Amino acids and many metabolites are isomeric, and their specific form can have a significant impact on biological function. Chromatographic separation of isomers is challenging, and they cannot be resolved by mass spectrometry alone. Ion mobility is a technique that allows the separation of ions based on their size, shape, and charge. Here we present the results of the separation of isobaric amino acids and small molecule metabolites using a system that allows for multi-pass ion mobility separation which, in turn, enhances the ion mobility resolution of the separation. Amino acid standards and small molecule metabolites commercially available were infused directly into a SELECT SERIES™ Cyclic™ IMS system. Solutions of individual and mixture of the isobaric species were used and the mobility conditions were optimized for multiple passes for each corresponding set of isobaric species. Both ionization polarities and various solvent adducts were tested to provide the best signal intensity and separation. Amino acids such as leucine and isoleucine have previously been separated with ion mobility in a system with lower ion mobility resolution (SYNAPT™ G2 mass spectrometer) rendering about 90% of valley and mobility resolution of around 40 Ω/ΔΩ. With the enhanced ion mobility resolution using the cyclic IMS technique we have obtained almost complete separation of those amino acids rendering a valley of about 10% after 15 passes. For this case, the mobility resolution is around 250 Ω/ΔΩ. Another example is the separation of glucose-6-phosphate from glucose-1-phosphate, and fructose-6phosphate which were separated after 10 passes. For this case, the mobility resolution is around 205 Ω/ΔΩ.

Hernando J Olivos↗

Molecular beam simulation of planetary atmospheric entry - Some recent results.

Progress is reported in the development of molecular beam techniques to simulate entry into planetary atmospheres. Molecular beam sources for producing fast beams containing CO2 and atomic oxygen are discussed. Results pertinent to the design and calibration of a mass spectrometer ion source for measurement of the Martian atmosphere during the free molecule portion of the entry trajectory are also presented. The shortcomings and advantages of this simulation technique are discussed, and it is demonstrated that even with certain inadequacies much information useful to the ion source design was obtained. Particularly, it is shown that an open-cavity configuration retains sensitivity to atomic oxygen, provides reasonable signal enhancement from the stagnation effect, is not highly sensitive to pitch and yaw effects, and presents no unforeseen problems in measuring CO2 or atomic oxygen.

French, J. B.↗

Mobile VLBI and GPS measurement of vertical crustal motion

Mobile Very Long Base Interferometry (VLBI) and Global Positioning System (GPS) geodetic measurements have many error sources in common. Calibration of the effects of water vapor on signal transmission through the atmosphere, however, remains the primary limitation to the accuracy of vertical crustal motion measurements made by either technique. The two primary methods of water vapor calibration currently in use for mobile VLBI baseline measurements were evaluated: radiometric measurements of the sky brightness near the 22 GHz emission line of free water molecules and surface meteorological measurements used as input to an atmospheric model. Based upon a limited set of 9 baselines, it is shown that calibrating VLBI data with water vapor radiometer measurements provides a significantly better fit to the theoretical decay model than calibrating the same data with surface meteorological measurements. The effect of estimating a systematic error in the surface meteorological calibration is shown to improve the consistency of the vertical baseline components obtained by the two calibration methods. A detailed error model for the vertical baseline components obtained indicates current mobile VLBI technology should allow accuracies of order 3 cm with WVR calibration and 10 cm when surface meteorological calibration is used.

Kroger, P. M.↗

Mobile very long baseline interferometry and Global Positioning System measurement of vertical crustal motion

Mobile Very Long Base Interferometry (VLBI) and Global Positioning System (GPS) geodetic measurements have many error sources in common. Calibration of the effects of water vapor on signal transmission through the atmosphere, however, remains the primary limitation to the accuracy of vertical crustal motion measurements made by either technique. The two primary methods of water vapor calibration currently in use for mobile VLBI baseline measurements were evaluated: radiometric measurements of the sky brightness near the 22 GHz emission line of free water molecules and surface meteorological measurements used as input to an atmospheric model. Based upon a limited set of 9 baselines, it is shown that calibrating VLBI data with water vapor radiometer measurements provides a significantly better fit to the theoretical decay model than calibrating the same data with surface meteorological measurements. The effect of estimating a systematic error in the surface meteorological calibration is shown to improve the consistency of the vertical baseline components obtained by the two calibration methods. A detailed error model for the vertical baseline components obtained indicates current mobile VLBI technology should allow accuracies of order 3 cm with WVR calibration and 10 cm when surface meteorological calibration is used.

Kroger, Peter M.↗

THIS: A Next Generation Tuneable Heterodyne Infrared Spectrometer for SOFIA

A new infrared heterodyne instrument has been developed which allows the use of both tuneable diode lasers (TDL) and quantum cascade lasers (QCL) as local oscillators (LO). The current frequency tuning range of our system extends from 900 to 1100/cm depending on the availability of lasers but is planned to be extended to 600/cm soon. The IF-bandwidth is 1.4 GHz using an acousto-optical spectrometer (AOS). The frequency resolution and stability of the system is approximately 10(exp 7). Currently, mercury-cadmium-telluride (MCT) detectors are used as mixers while new devices like quantum-well-infrared-photodetectors (QWIP) and hot-electron-bolometers (HEB) are investigated. The IF-bandwidth can be extended to about 3 GHz by using a new broadband acousto-optical spectrometer presently under development. The instrument is fully transportable and can be attached to any infrared or optical telescope. The semiconductor laser is stabilized to a Fabry-Perot ring-resonator, which is also used as an efficient diplexer to superimpose the local-oscillator and the signal radiation. As a first step measurements of trace gases in Earth's atmosphere and non-LTE emission from Venus' atmosphere were carried out as well as observations of molecular features in sunspots. Further astronomical observations from ground-based telescopes and the airborne observatory SOFIA are planned for the future. Of particular interest are molecules without a permanent dipole moment like H2, CH4, C2H2 etc.

Sonnabend, Guido↗

On-chip polarimetry for high-throughput screening of nanoliter and smaller sample volumes

A polarimetry technique for measuring optical activity that is particularly suited for high throughput screening employs a chip or substrate (22) having one or more microfluidic channels (26) formed therein. A polarized laser beam (14) is directed onto optically active samples that are disposed in the channels. The incident laser beam interacts with the optically active molecules in the sample, which slightly alter the polarization of the laser beam as it passes multiple times through the sample. Interference fringe patterns (28) are generated by the interaction of the laser beam with the sample and the channel walls. A photodetector (34) is positioned to receive the interference fringe patterns and generate an output signal that is input to a computer or other analyzer (38) for analyzing the signal and determining the rotation of plane polarized light by optically active material in the channel from polarization rotation calculations.

Bornhop, Darryl J.↗