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NASA NTRS1983

High-resolution infrared spectroscopy of planetary atmospheres

Various techniques for high-resolution infrared spectroscopy of planetary atmospheres are reviewed. Resolving powers of a million are now possible at 1-5 microns with Fourier transform spectrometers and at 10 microns with heterodyne spectrometers. The extension of high-resolution spectroscopy to the far-infrared is currently under development. The role of ground-based high-resolution spectroscopy compared to observations by spacecraft is discussed.

Tokunaga, A. T.↗

NASA NTRS1984

Infrared spectroscopy of the Herbig Ae-Be stars

Infrared spectroscopy from 1.5-2.3 microns is presented for nine Ae and Be stars believed to be pre-main-sequence. Brackett-gamma emission is seen in most or all the spectra, and higher-order Brackett recombination lines are visible in a number of the spectra. The strengths of the emission lines are generally less than or equal to the expected fluxes from H II regions which have been postulated to explain Balmer and Paschen continuum excesses in these stars. The circumstellar H II regions may be optically thick in some of the Brackett lines. No other lines are visible in the spectra, e.g., He or H2. The infrared continua are generally smooth; they confirm the presence of excess emission over that expected from the stellar photospheres. If the excesses are produced by thermal emission from dust, the dust grains must exist up to temperatures of 1300 K-1500 K.

Harvey, P. M.↗

NASA NTRS2012

Functional Near Infrared Spectroscopy: Watching the Brain in Flight

Functional Near Infrared Spectroscopy (fNIRS) is an emerging neurological sensing technique applicable to optimizing human performance in transportation operations, such as commercial aviation. Cognitive state can be determined via pattern classification of functional activations measured with fNIRS. Operational application calls for further development of algorithms and filters for dynamic artifact removal. The concept of using the frequency domain phase shift signal to tune a Kalman filter is introduced to improve the quality of fNIRS signals in realtime. Hemoglobin concentration and phase shift traces were simulated for four different types of motion artifact to demonstrate the filter. Unwanted signal was reduced by at least 43%, and the contrast of the filtered oxygenated hemoglobin signal was increased by more than 100% overall. This filtering method is a good candidate for qualifying fNIRS signals in real time without auxiliary sensors

Harrivel, Angela↗

NASA NTRS2012

Functional Near Infrared Spectroscopy: Watching the Brain in Flight

Functional Near Infrared Spectroscopy (fNIRS) is an emerging neurological sensing technique applicable to optimizing human performance in transportation operations, such as commercial aviation. Cognitive state can be determined via pattern classification of functional activations measured with fNIRS. Operational application calls for further development of algorithms and filters for dynamic artifact removal. The concept of using the frequency domain phase shift signal to tune a Kalman filter is introduced to improve the quality of fNIRS signals in real-time. Hemoglobin concentration and phase shift traces were simulated for four different types of motion artifact to demonstrate the filter. Unwanted signal was reduced by at least 43%, and the contrast of the filtered oxygenated hemoglobin signal was increased by more than 100% overall. This filtering method is a good candidate for qualifying fNIRS signals in real time without auxiliary sensors.

Harrivel, Angela↗

DOE OSTI2025

Quantitative infrared spectroscopy of aerosols: Mie theory modeling with experimental validation

Infrared spectroscopy is a well-established method for identifying solid, liquid, and gas-phase chemicals. Accurate infrared spectroscopic analysis requires reference libraries where library endmembers reflect all optical phenomena contributing to the observed spectra. Traditional spectral libraries most often contain molecular-based absorption spectra, but these do not account for the complex scattering effects that become significant when measuring aerosols. In this work, we combine the laboratory-derived, wavelength-dependent complex optical vectors ( n / k ) of liquid dioctyl sebacate (DOS) with Mie scattering theory and the Beer–Lambert law to generate synthetic infrared transmission spectra of aerosolized DOS. Additionally, we record experimental infrared transmission spectra using an FTIR spectrometer coupled to a simple aerosol chamber filled with a quantified number size distribution of aerosolized DOS. The modeled and measured spectra show strong agreement, with Mie scattering effects clearly altering the overall spectral shape as well as the positions and profiles of absorption features. The results demonstrate that synthetic spectra generated from n / k values can reliably capture aerosol-specific spectral behavior and thus serve as a foundation for building scalable, physics-based aerosol reference libraries to enable infrared spectroscopic detection of aerosols.

Salcido, Jessica M. O. [Pacific Northwest National↗

NASA NTRS2003

Factors affecting the accuracy of near-infrared spectroscopy concentration calculations for focal changes in oxygenation parameters

Near-infrared spectroscopy (NIRS) can be used to noninvasively measure changes in the concentrations of oxy- and deoxyhemoglobin in tissue. We have previously shown that while global changes can be reliably measured, focal changes can produce erroneous estimates of concentration changes (NeuroImage 13 (2001), 76). Here, we describe four separate sources for systematic error in the calculation of focal hemoglobin changes from NIRS data and use experimental methods and Monte Carlo simulations to examine the importance and mitigation methods of each. The sources of error are: (1). the absolute magnitudes and relative differences in pathlength factors as a function of wavelength, (2). the location and spatial extent of the absorption change with respect to the optical probe, (3). possible differences in the spatial distribution of hemoglobin species, and (4). the potential for simultaneous monitoring of multiple regions of activation. We found wavelength selection and optode placement to be important variables in minimizing such errors, and our findings indicate that appropriate experimental procedures could reduce each of these errors to a small fraction (<10%) of the observed concentration changes.

Non-NASA Center↗

NASA NTRS1997

Near-infrared spectroscopy for monitoring of tissue oxygenation of exercising skeletal muscle in a chronic compartment syndrome model

Variations in the levels of muscle hemoglobin and of myoglobin oxygen saturation can be detected non-invasively with near-infrared spectroscopy. This technique could be applied to the diagnosis of chronic compartment syndrome, in which invasive testing has shown increased intramuscular pressure associated with ischemia and pain during exercise. We simulated chronic compartment syndrome in ten healthy subjects (seven men and three women) by applying external compression, through a wide inflatable cuff, to increase the intramuscular pressure in the anterior compartment of the leg. The tissue oxygenation of the tibialis anterior muscle was measured with near-infrared spectroscopy during gradual inflation of the cuff to a pressure of forty millimeters of mercury (5.33 kilopascals) during fourteen minutes of cyclic isokinetic dorsiflexion and plantar flexion of the ankle. The subjects exercised with and without external compression. The data on tissue oxygenation for each subject then were normalized to a scale of 100 per cent (the baseline value, or the value at rest) to 0 per cent (the physiological minimum, or the level of oxygenation achieved by exercise to exhaustion during arterial occlusion of the lower extremity). With external compression, tissue oxygenation declined at a rate of 1.4 +/- 0.3 per cent per minute (mean and standard error) during exercise. After an initial decrease at the onset, tissue oxygenation did not decline during exercise without compression. The recovery of tissue oxygenation after exercise was twice as slow with compression (2.5 +/- 0.6 minutes) than it was without the use of compression (1.3 +/- 0.2 minutes).

NASA Discipline Musculoskeletal↗

NASA NTRS1984

Far-infrared Spectroscopy of Interstellar Gas

Research results of far-infrared spectroscopy with the Kuiper Airborne Observatory are discussed. Both high and intermediate resolution have been successfully employed in the detection of many new molecular and atomic lines including rotational transition of hydrides such as OH, H2O, NH3 and HCl; high J rotational transitions of CO; and the ground state fine structure transitions of atomic carbon, oxygen, singly ionized carbon and doubly ionized oxygen and nitrogen. These transitions have been used to study the physics and chemistry of clouds throughout the galaxy, in the galactic center region and in neighboring galaxies. This discussion is limited to spectroscopic studies of interstellar gas.

Phillips, T. G.↗

NASA NTRS1972

Infrared spectroscopy experiment on Mariner 9: Preliminary results

The Mariner 9 infrared spectroscopy experiment has provided good quality spectra of many areas of Mars, predominantly in the Southern Hemisphere. Large portions of the thermal emission spectra are significantly affected by dust with a silicon oxide content approximately corresponding to that of an intermediate igneous rock, implying that Mars has undergone a substantial geochemical differentiation. Derived temperature profiles indicate a warm daytime upper atmosphere with a strong warming over the south polar cap. Atmospheric water vapor is clearly observed over the south polar area and less strongly over other regions.

Hanel, R. A.↗

NASA NTRS1973

Martian tidal pressure and wind fields obtained from the Mariner 9 infrared spectroscopy experiment

Using temperature fields derived from the Mariner 9 infrared spectroscopy experiment, the Martian atmospheric tidal pressure and wind fields are calculated. Temperature as a function of local time, latitude, and atmospheric pressure level is obtained by secular and longitudinal averaging of the data. The resulting temperature field is approximated by a spherical harmonic expansion, retaining one symmetric and one asymmetric term for wavenumber zero and wavenumber one. Vertical averaging of the linearized momentum and continuity equations results in an inhomogeneous tidal equation for surface pressure fluctuations with the driving function related to the temperature field through the geopotential function and the hydrostatic equation. Solutions of the tidal equation show a diurnal fractional pressure amplitude approximately equal to one half of the vertically averaged diurnal fractional temperature amplitude.

Pirraglia, J. A.↗

NASA NTRS1974

Martian tidal pressure and wind fields obtained from the Mariner 9 infrared spectroscopy experiment

Using temperature fields derived from the Mariner 9 infrared spectroscopy experiment, the Martian atmospheric tidal pressure and wind fields are calculated. Temperature as a function of local time, latitude, and atmospheric pressure level is obtained by secular and longitudinal averaging of the data. The resulting temperature field is approximated by a spherical harmonic expansion, retaining one symmetric and one asymmetric term each for wavenumber zero and wavenumber one. Vertical averaging of the linearized momentum and continuity equations results in an inhomogeneous tidal equation for surface pressure fluctuations with the driving function related to the temperature field through the geopotential function and the hydrostatic equation. Solutions of the tidal equation show a diurnal fractional pressure amplitude approximately equal to one-half the vertically averaged diurnal fractional temperature amplitude.

Pirraglia, J. A.↗

NASA NTRS2001

Fourier Transform Infrared Spectroscopy of CF4 on the GEC Reference Cell

Fourier Transform Infrared Spectroscopy (FTIR) has been used to characterize inductively coupled CF4 plasmas in a GEC Reference Cell in-situ In examining these FTIR spectra, several assumptions and approximations of FTIR analysis are addressed. This includes the density dependence of cross-sections, non-linear effects in the addition of overlapping bands and the effect of spatial variations in density and temperature, This analysis demonstrates that temperatures extracted from MR spectra may provide a poor estimate of the true neutral plasma temperature. The FTIR spectra are dominated by unreacted CF, accounting for 40-60% of the gas products. The amount of CF4 consumption is found to have a marked dependence on power, and is nearly independent of pressure in the range of 10-50 mtorr. Small amounts of C2F6 are observed at low power. Also observed are etching products from the quartz window SiF4 COF2 and CO which occur in approximately equal ratios and together account for less than 10% of the gas. The concentrations of these species are nearly independent of pressure. CFx radicals are below the detection limit of this apparatus (approx. 1012/cc).

Rao, M. V. V. S.↗

NASA NTRS2013

Functional Near-Infrared Spectroscopy Signals Measure Neuronal Activity in the Cortex

Functional near infrared spectroscopy (fNIRS) is an emerging optical neuroimaging technology that indirectly measures neuronal activity in the cortex via neurovascular coupling. It quantifies hemoglobin concentration ([Hb]) and thus measures the same hemodynamic response as functional magnetic resonance imaging (fMRI), but is portable, non-confining, relatively inexpensive, and is appropriate for long-duration monitoring and use at the bedside. Like fMRI, it is noninvasive and safe for repeated measurements. Patterns of [Hb] changes are used to classify cognitive state. Thus, fNIRS technology offers much potential for application in operational contexts. For instance, the use of fNIRS to detect the mental state of commercial aircraft operators in near real time could allow intelligent flight decks of the future to optimally support human performance in the interest of safety by responding to hazardous mental states of the operator. However, many opportunities remain for improving robustness and reliability. It is desirable to reduce the impact of motion and poor optical coupling of probes to the skin. Such artifacts degrade signal quality and thus cognitive state classification accuracy. Field application calls for further development of algorithms and filters for the automation of bad channel detection and dynamic artifact removal. This work introduces a novel adaptive filter method for automated real-time fNIRS signal quality detection and improvement. The output signal (after filtering) will have had contributions from motion and poor coupling reduced or removed, thus leaving a signal more indicative of changes due to hemodynamic brain activations of interest. Cognitive state classifications based on these signals reflect brain activity more reliably. The filter has been tested successfully with both synthetic and real human subject data, and requires no auxiliary measurement. This method could be implemented as a real-time filtering option or bad channel rejection feature of software used with frequency domain fNIRS instruments for signal acquisition and processing. Use of this method could improve the reliability of any operational or real-world application of fNIRS in which motion is an inherent part of the functional task of interest. Other optical diagnostic techniques (e.g., for NIR medical diagnosis) also may benefit from the reduction of probe motion artifact during any use in which motion avoidance would be impractical or limit usability.

Harrivel, Angela↗

NASA NTRS2013

Functional Near-Infrared Spectroscopy Signals Measure Neuronal Activity in the Cortex

Harrivel, Angela↗

NASA NTRS2003

Infrared Spectroscopy of the Dust in Comets and Relationships to Interstellar Dust

Infrared spectroscopy of the dust in comets reveals a complex mix of silicate materials, including both crystalline and non-crystalline components of both olivine (forsterite) and pyroxene composition. These various components do not necessarily share a common origin. Since comets formed in cold regions of the solar nebula, pre-solar grains in the nebula could have been accreted into comets with little alteration. Some of the cometary silicates may be of circumstellar (formed in circumstellar outflows of evolved stars) or interstellar (formed in dense region of the interstellar medium) origin. Spectral similarities to both circumstellar and interstellar silicates are seen in comet spectra. the short-period Kuiper Belt comets) show weak or no spectral features. The lack of features is generally explained as a particle size effect: the small silicate grains are embedded in larger, optically thick particles. However, compositional differences cannot be ruled out. For example, no unambiguous signature of forsterite has yet been seen in the spectrum of a short-period comet. Thus, the Stardust sample from short-period comet P/Wild 2 will be extremely valuable. Not only grain by grain composition and isotopic ratios but also grain morphology, irradiation history, and evidence of organic refractory mantles are important for understanding their origin. The relative abundance and distinguishing characteristics of the various crystalline and non-crystalline silicate components needs to be established. While some comets, such as Hale-Bopp, display a rich infrared spectrum, others (particularly

Hanner, Martha S.↗

NASA NTRS1990

Infrared spectroscopy of comets

An observational search for cometary parent molecules using infrared spectroscopy was conducted in the 1 to 5 micron region. The investigation involved two different observing programs, one at moderate spectral resolution and one at fairly high resolution. The lower resolution was used to study cometary spectra in the vicinity of 3.5 micron at wavelength/change in wavelength is approximately or equal to 10(exp 3). Comets P/Brorsen-Metcalf (1989o), Okazaki-Levy-Rudenko (1989r), and Austin (1990c1) were observed with the Cryogenic Spectrometer (CRSP) at Kitt Peak. The detector incorporated an InSb array with 58 spatial elements, each 2.7 min on the sky, and 62 spectral channels per spatial element. An, as yet, unidentified feature was detected at approximately 3.52 micron in Comet Austin (on 1990 May 4, 5, and 6). The feature is possibly present in P/Brorsen-Metcalf (observed on 1989 August 23 and 25), as well. Comet Okazaki-Levy-Rudenko exhibited continuum emission only in this spectral region at the time of the observations (1989 November 14 and 16). The data are presented, and the relationship between the 3.52 micron feature and cometary activity (e.g., water production rate, visibility of the 3.4 micron emission feature) are discussed. The high resolution program probed comet Austin in the 4.8 micron region. These observations were used to search for emission lines comprising the (1-0) vibration-rotation band of the ground electronic state of CO. Retrieval of the lines allows a probe of the population distribution of levels J' = 1 through 4 of the excited (v' = 1) vibrational state within the ground electronic state of CO. Knowledge of this distribution can be used to constrain the rotational temperature. Preliminary analysis suggests the P3 line was present UT May 16 at roughly the 5 sigma level. Results concerning the existence of other lines, and physical conditions inferred therefrom are discussed.

Disanti, Michael A.↗

NASA NTRS2003

Infrared Spectroscopy as a Chemical Fingerprinting Tool

Infrared (IR) spectroscopy is a powerful analytical tool in the chemical fingerprinting of materials. Any sample material that will interact with infrared light produces a spectrum and, although normally associated with organic materials, inorganic compounds may also be infrared active. The technique is rapid, reproducible and usually non-invasive to the sample. That it is non-invasive allows for additional characterization of the original material using other analytical techniques including thermal analysis and RAMAN spectroscopic techniques. With the appropriate accessories, the technique can be used to examine samples in liquid, solid or gas phase. Both aqueous and non-aqueous free-flowing solutions can be analyzed, as can viscous liquids such as heavy oils and greases. Solid samples of varying sizes and shapes may also be examined and with the addition of microscopic IR (microspectroscopy) capabilities, minute materials such as single fibers and threads may be analyzed. With the addition of appropriate software, microspectroscopy can be used for automated discrete point or compositional surface area mapping, with the latter providing a means to record changes in the chemical composition of a material surface over a defined area. Due to the ability to characterize gaseous samples, IR spectroscopy can also be coupled with thermal processes such as thermogravimetric (TG) analyses to provide both thermal and chemical data in a single run. In this configuration, solids (or liquids) heated in a TG analyzer undergo decomposition, with the evolving gases directed into the IR spectrometer. Thus, information is provided on the thermal properties of a material and the order in which its chemical constituents are broken down during incremental heating. Specific examples of these varied applications will be cited, with data interpretation and method limitations further discussed.

Huff, Timothy L.↗

NASA NTRS2003

Infrared Spectroscopy of Anhydrous Interplanetary Dust Particles

Infrared (IR) spectroscopy is the primary means of mineralogical analysis of materials outside our solar system. The identity and properties of circumstellar grains are inferred from spectral comparisons between astronomical observations and laboratory data from natural and synthetic materials. These comparisons have been facilitated by the Infrared Space Observatory (ISO), which obtained IR spectra from numerous astrophysical objects over a wide spectral range (out to 50/cm) where crystalline silicates and other phases have distinct features. The anhydrous interplanetary dust particles (IDPs) are particularly important comparison materials because some IDPs contain carbonaceous material with non-solar D/H and N-15/N-14 ratios and amorphous and crystalline silicates with non-solar 0- isotopic ratios, demonstrating that these IDPs contain preserved interstellar material. Here, we report on micro- Fourier transform (FT) IR spectrometry of IDPs, focusing on the inorganic components of primitive IDPs (FTIR spectra from the organic/carbonacecous materials in IDPs are described elsewhere).

Keller, L. P.↗