Low-temperature and low atmospheric pressure infrared reflectance spectroscopy of Mars soil analog materials

NASA Technical Reports Server (NTRS)

Bishop, Janice L.; Pieters, Carle M.

1995-01-01

Infrared reflectance spectra of carefully selected Mars soil analog materials have been measured under low atmospheric pressures and temperatures. Chemically altered montmorillonites containing ferrihydrite and hydrated ferric sulfate complexes are examined, as well as synthetic ferrihydrite and a palagonitic soil from Haleakala, Maui. Reflectance spectra of these analog materials exhibit subtle visible to near-infrared features, which are indicative of nanophase ferric oxides or oxyhydroxides and are similar to features observed in the spectra of the bright regions of Mars. Infrared reflectance spectra of these analogs include hydration features due to structural OH, bound H2O, and adsorbed H2O. The spectral character of these hydration features is highly dependent on the sample environment and on the nature of the H2O/OH in the analogs. The behavior of the hydration features near 1.9 micron, 2.2 micron, 2.7 micron, 3 micron, and 6 microns are reported here in spectra measured under a Marslike atmospheric environment. In spectra of these analogs measured under dry Earth atmospheric conditions the 1.9-micron band depth is 8-17%; this band is much stronger under moist conditions. Under Marslike atmospheric conditions the 1.9-micron feature is broad and barely discernible (1-3% band depth) in spectra of the ferrihydrite and palagonitic soil samples. In comparable spectra of the ferric sulfate-bearing montmorillonite the 1.9-micron feature is also broad, but stronger (6% band depth). In the low atmospheric pressure and temperature spectra of the ferrihydrite-bearing montmorillonite this feature is sharper than the other analogs and relatively stronger (6% band depth). Although the intensity of the 3-micron band is weaker in spectra of each of the analogs when measured under Marslike conditions, the 3-micron band remains a dominant feature and is especially broad in spectra of the ferrihydrite and palagonitic soil. The structural OH features observed in these materials at 2.2-2.3 micron and 2.75 microns remain largely unaffected by the environmental conditions. A shift in the Christiansen feature towards shorter wavelengths has also been observed with decreasing atmospheric pressure and temperature in the midinfrared spectra of these samples.

Influence of site and soil properties on the DRIFT spectra of northern cold-region soils

USDA-ARS?s Scientific Manuscript database

We investigated the influence of site characteristics and soil properties on the chemical composition of organic matter in soils collected from a latitudinal transect across Alaska through analysis of diffuse reflectance infrared Fourier transform mid infrared (MidIR) spectra of bulk soils. The stud...

A Fast Smoothing Algorithm for Post-Processing of Surface Reflectance Spectra Retrieved from Airborne Imaging Spectrometer Data

PubMed Central

Gao, Bo-Cai; Liu, Ming

2013-01-01

Surface reflectance spectra retrieved from remotely sensed hyperspectral imaging data using radiative transfer models often contain residual atmospheric absorption and scattering effects. The reflectance spectra may also contain minor artifacts due to errors in radiometric and spectral calibrations. We have developed a fast smoothing technique for post-processing of retrieved surface reflectance spectra. In the present spectral smoothing technique, model-derived reflectance spectra are first fit using moving filters derived with a cubic spline smoothing algorithm. A common gain curve, which contains minor artifacts in the model-derived reflectance spectra, is then derived. This gain curve is finally applied to all of the reflectance spectra in a scene to obtain the spectrally smoothed surface reflectance spectra. Results from analysis of hyperspectral imaging data collected with the Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) data are given. Comparisons between the smoothed spectra and those derived with the empirical line method are also presented. PMID:24129022

Low-temperature and low atmospheric pressure infrared reflectance spectroscopy of Mars soil analog materials

NASA Technical Reports Server (NTRS)

Bishop, Janice L.; Pieters, Carle M.

1995-01-01

Infrared reflectance spectra of carefully selected Mars soil analog materials have been measured under low atmospheric pressures and temperatures. Chemically altered montmorillonites containing ferrihydrite and hydrated ferric sulfate complexes are examined, as well as synthetic ferrihydrate and a palagonitic soil from Haleakala, Maui. Reflectance spectra of these analog materials exhibit subtle visible to near-infrared features, which are indicative of nanophase ferric oxides or oxyhydroxides and are similar to features observed in the spectra of the bright regions of Mars. Infrared reflectance spectra of these analogs include hydration features due to structural OH, bound H2O and adsorbed H2O. The spectal character of these hydration features is highly dependent on the sample environment and on the nature of the H2O/OH in the analogs. The behavior of the hydration features near 1.9 micrometers, 2.2 micrometers, 2.7 micrometers, 3 micrometers, and 6 micrometers are reported here in spetra measured under Marslike atmospheric environment. In spectra of these analogs measured under dry Earth atmospheric conditions the 1.9-micrometer band depth is 8-17%; this band is much stonger under moist conditions. Under Marslike atmospheric conditions the 1.9-micrometer feature is broad and barely discernible (1-3% band depth) in spectra of the ferrihydrite and palagonitic soil samples. In comparable spectra of the ferric sulfate-bearing montmorillonite the 1.9-micrometer feature is also broad, but stronger (6% band depth). In the low atmospheric pressure and temperature spectra of the ferrihydrite-bearing montmorillonite this feature is sharper than the other analogs and relatively stronger (6% band depth). Although the intensity of the 3- micrometer band is weaker in spectra of each of the analogs when measured under Marslike conditions, the 3-micromter band remains a dominant feature and is especially broad in spectra of the ferrihydrite and palagonitic soil. The structural OH features observed in these materials at 2.2-2.3 micrometers and 2.27 micrometers remain largely unaffected by the environmental conditions. A shift in the Christiansen feature towards shorter wavelengths has also been observed with decreasing atmospheric pressure and temperature in the midinfrared spectra of these samples.

Estimated Mid-Infrared (200-2000 cm-1) Optical Constants of Some Silica Polymorphs

NASA Astrophysics Data System (ADS)

Glotch, Timothy; Rossman, G. R.; Michalski, J. R.

2006-09-01

We use Lorentz-Lorenz dispersion analysis to model the mid-infrared (200-2000 cm-1) optical constants, of opal-A, opal-CT, and tridymite. These minerals, which are all polymorphs of silica (SiO2), are potentially important in the analysis of thermal emission spectra acquired by the Mars Global Surveyor Thermal Emission Spectrometer (MGS-TES) and Mars Exploration Rover Mini-TES instruments in orbit and on the surface of Mars as well as emission spectra acquired by telescopes of planetary disks and dust and debris clouds in young solar systems. Mineral samples were crushed, washed, and sieved and emissivity spectra of the >100; μm size fraction were acquired at Arizona State University's emissivity spectroscopy laboratory. Therefore, the spectra and optical constants are representative of all crystal orientations. Ideally, emissivity or reflectance measurements of single polished crystals or fine powders pressed to compact disks are used for the determination of mid-infrared optical constants. Measurements of these types of surfaces eliminate or minimize multiple reflections, providing a specular surface. Our measurements, however, likely produce a reasonable approximation of specular emissivity or reflectance, as the minimum particle size is greater than the maximum wavelength of light measured. Future work will include measurement of pressed disks of powdered samples in emission and reflection, and when possible, small single crystals under an IR reflectance microscope, which will allow us to assess the variability of spectra and optical constants under different sample preparation and measurement conditions.

Infrared reflectance spectra (2. 2-15. mu. m) of plagioclase feldspars

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nash, D.B.; Salisbury, J.W.

Laboratory results show that (1) the Christiansen frequency (CF) feature in mid-infrared reflectance spectra of powders can be used to accurately distinguish plagioclase composition, and (2) the wavelength position of the CF is not affected by vitrification of the plagioclase. Although the CF position does not distinguish glass from crystalline forms of plagioclase, other features (combination-tone, overtone, restrahlen bands) in the mid-IR spectra of plagioclase can be used for that purpose. These results have important implications for application of thermal emission spectroscopy to mapping the surface composition of regolith-covered planetary bodies like the Moon, Mars, and asteroids.

Comparison of visible and near-infrared reflectance spectra of CM2 carbonaceous chondrites and primitive asteroids

NASA Technical Reports Server (NTRS)

Vilas, F.; Hiroi, T.; Zolensky, M. E.

1993-01-01

Spectra of primitive asteroids (defined as C, P, and D classes and associated subclasses) were compared to the limited number of spectra of CM2 carbonaceous chondrites. An absorption feature located at 0.7 microns attributed to an Fe(+2) - Fe(+3) charge transfer absorption in iron oxides in phyllosilicates is apparent in some of the CM2 carbonaceous chondrite spectra and many of the asteroid spectra. Sawyer found a correlation between the area of the 0.7 micron feature and the mean semimajor axis of the asteroids. Spectra of a larger sample of carbonaceous chondrites, including 7 CM2 chondrites, covering a spectral interval of 0.30-2.5 microns were recently obtained using the Relab instrument at Brown University. These spectra were compared with spectrophotometric asteroid observations in a separate abstract. Those spectra of CM2 chondrites were isolated into the UV, visible and near-infrared spectral regions in order to compare them with high-quality narrowband reflectance spectra.

Application of Near Infrared Reflectance Spectroscopy for Rapid and Non-Destructive Discrimination of Hulled Barley, Naked Barley, and Wheat Contaminated with Fusarium

PubMed Central

Lim, Jongguk; Kim, Giyoung; Mo, Changyeun; Oh, Kyoungmin; Kim, Geonseob; Ham, Hyeonheui; Kim, Seongmin; Kim, Moon S.

2018-01-01

Fusarium is a common fungal disease in grains that reduces the yield of barley and wheat. In this study, a near infrared reflectance spectroscopic technique was used with a statistical prediction model to rapidly and non-destructively discriminate grain samples contaminated with Fusarium. Reflectance spectra were acquired from hulled barley, naked barley, and wheat samples contaminated with Fusarium using near infrared reflectance (NIR) spectroscopy with a wavelength range of 1175–2170 nm. After measurement, the samples were cultured in a medium to discriminate contaminated samples. A partial least square discrimination analysis (PLS-DA) prediction model was developed using the acquired reflectance spectra and the culture results. The correct classification rate (CCR) of Fusarium for the hulled barley, naked barley, and wheat samples developed using raw spectra was 98% or higher. The accuracy of discrimination prediction improved when second and third-order derivative pretreatments were applied. The grains contaminated with Fusarium could be rapidly discriminated using spectroscopy technology and a PLS-DA discrimination model, and the potential of the non-destructive discrimination method could be verified. PMID:29301319

ChemCam passive reflectance spectroscopy of surface materials at the Curiosity landing site, Mars

NASA Astrophysics Data System (ADS)

Johnson, Jeffrey R.; Bell, J. F.; Bender, S.; Blaney, D.; Cloutis, E.; DeFlores, L.; Ehlmann, B.; Gasnault, O.; Gondet, B.; Kinch, K.; Lemmon, M.; Le Mouélic, S.; Maurice, S.; Rice, M.; Wiens, R. C.

2015-03-01

The spectrometers on the Mars Science Laboratory (MSL) ChemCam instrument were used in passive mode to record visible/near-infrared (400-840 nm) radiance from the martian surface. Using the onboard ChemCam calibration targets' housing as a reflectance standard, we developed methods to collect, calibrate, and reduce radiance observations to relative reflectance. Such measurements accurately reproduce the known reflectance spectra of other calibration targets on the rover, and represent the highest spatial resolution (0.65 mrad) and spectral sampling (<1 nm) visible/near-infrared reflectance spectra from a landed platform on Mars. Relative reflectance spectra of surface rocks and soils match those from orbital observations and multispectral data from the MSL Mastcam camera. Preliminary analyses of the band depths, spectral slopes, and reflectance ratios of the more than 2000 spectra taken during the first year of MSL operations demonstrate at least six spectral classes of materials distinguished by variations in ferrous and ferric components. Initial comparisons of ChemCam spectra to laboratory spectra of minerals and Mars analog materials demonstrate similarities with palagonitic soils and indications of orthopyroxene in some dark rocks. Magnesium-rich "raised ridges" tend to exhibit distinct near-infrared slopes. The ferric absorption downturn typically found for martian materials at <600 nm is greatly subdued in brushed rocks and drill tailings, consistent with their more ferrous nature. Calcium-sulfate veins exhibit the highest relative reflectances observed, but are still relatively red owing to the effects of residual dust. Such dust is overall less prominent on rocks sampled within the "blast zone" immediately surrounding the landing site. These samples were likely affected by the landing thrusters, which partially removed the ubiquitous dust coatings. Increased dust coatings on the calibration targets during the first year of the mission were documented by the ChemCam passive measurements as well. Ongoing efforts to model and correct for this dust component should improve calibration of the relative reflectance spectra. This will be useful as additional measurements are acquired during the rover's future examinations of hematite-, sulfate-, and phyllosilicate-bearing materials near the base of Mt. Sharp that are spectrally active in the 400-840 nm region.

Polarimetry and infrared spectroscopy in the detection of low-volatility chemical threats

NASA Astrophysics Data System (ADS)

Petryk, Michael W. P.; Marenco, Armando J.

2011-05-01

The polarization modulation infrared reflection absorption spectroscopy (PMIRRAS) spectra of the nerve agents GB (O-isopropyl methylphosphonofluoridate) and GF (cyclohexyl methylphoshonofluoridate) were recorded for the first time. A comparison of these spectra with the nerve agent VX (ethyl S-2-diisopropylaminoethyl methylphosphonothiolate) and the spectra of some trialkyl phosphates indicates that it is easy to distinguish between chemical warfare agents and simulants on militarily-relevant surfaces using PMIRRAS.

On the Widths of Bands in the Infrared Spectra of Oxyanions.

PubMed

Griffiths, Peter R; Eastman Fries, Brandy; Weakley, Andrew T

2018-01-01

It is well known that the antisymmetric stretching (ν 3 ) band in the mid-infrared spectra of oxyanion salts is usually very broad, whereas all the other fundamental bands are narrow. In this paper, we propose that the underlying cause of the increased width is the effect of the very high absorption index of this band for samples prepared with a range of particle sizes. When oxyanion salts are ground, the diameter of the resulting particles usually varies from less than 100 nm to about 2 µm. While the peak absorbance of the ν 3 band of the smaller particles (diameter < 200 nm) is less than 1, that of the larger particles can be as high as 6. We show that the average transmittance of these particles leads to a significant band broadening, especially when there are small voids in the resulting sample. Although the effect is always seen in the spectra of alkali halide disks and mineral oil mulls, it is also seen in diffuse reflection and attenuated total reflection (ATR) spectra. Because the depth of penetration of infrared radiation below 1500 cm -1 is less than 1 µm for ATR spectra measured with a germanium internal reflection element (IRE), the width of the ν 3 band is lower than that of ATR spectra measured with an IRE of lower refractive index such as diamond on zinc selenide.

Development of Single-Seed Near-Infrared Spectroscopic Predictions of Corn and Soybeans Constituents Using Bulk Teference Values and Mean Spectra

USDA-ARS?s Scientific Manuscript database

Near-Infrared reflectance spectroscopic prediction models were developed for common constituents of corn and soybeans using bulk reference values and mean spectra from single-seeds. The bulk reference model and a true single-seed model for soybean protein were compared to determine how well the bul...

Advances in photo-thermal infrared imaging microspectroscopy

NASA Astrophysics Data System (ADS)

Furstenberg, Robert; Kendziora, Chris; Papantonakis, Michael; Nguyen, Viet; McGill, Andrew

2013-05-01

There is a growing need for chemical imaging techniques in many fields of science and technology: forensics, materials science, pharmaceutical and chemical industries, just to name a few. While FTIR micro-spectroscopy is commonly used, its practical resolution limit of about 20 microns or more is often insufficient. Raman micro-spectroscopy provides better spatial resolution (~1 micron), but is not always practical because of samples exhibiting fluorescence or low Raman scattering efficiency. We are developing a non-contact and non-destructive technique we call photo-thermal infrared imaging spectroscopy (PT-IRIS). It involves photo-thermal heating of the sample with a tunable quantum cascade laser and measuring the resulting increase in thermal emission with an infrared detector. Photo-thermal emission spectra resemble FTIR absorbance spectra and can be acquired in both stand-off and microscopy configurations. Furthermore, PT-IRIS allows the acquisition of absorbance-like photo-thermal spectra in a reflected geometry, suitable for field applications and for in-situ study of samples on optically IR-opaque substrates (metals, fabrics, paint, glass etc.). Conventional FTIR microscopes in reflection mode measure the reflectance spectra which are different from absorbance spectra and are usually not catalogued in FTIR spectral libraries. In this paper, we continue developing this new technique. We perform a series of numerical simulations of the laser heating of samples during photo-thermal microscopy. We develop parameterized formulas to help the user pick the appropriate laser illumination power. We also examine the influence of sample geometry on spectral signatures. Finally, we measure and compare photo-thermal and reflectance spectra for two test samples.

Near-infrared reflectance spectra-applications to problems in asteroid-meteorite relationships

NASA Technical Reports Server (NTRS)

Mcfadden, Lucy A.; Chamberlin, Alan; Vilas, Faith

1991-01-01

Near-infrared spectral reflectance data were collected at the Infrared Telescope Facility (IRTF) at Mauna Kea Observatories in 1985 and 1986 for the purpose of searching the region near the 3:1 Kirkwood gap for asteroids with the spectral signatures of ordinary chondrite parent bodies. Twelve reflectance spectra are observed. The presence of ordinary chondrite parent bodies among this specific set of observed asteroids is not obvious, though the sample is biased towards the larger asteroids in the region due to limitations imposed by detector sensitivity. The data set, which was acquired with the same instrumentation used for the 52-color asteroid survey (Bell et al., 1987), also presents some additional findings. The range of spectral characteristics that exist among asteroids of the same taxonomic type is noted. Conclusions based on the findings are discussed.

To See the World in a Grain of Sand: Recognizing the Origin of Sand Specimens by Diffuse Reflectance Infrared Fourier Transform Spectroscopy and Multivariate Exploratory Data Analysis

ERIC Educational Resources Information Center

Pezzolo, Alessandra De Lorenzi

2011-01-01

The diffuse reflectance infrared Fourier transform (DRIFT) spectra of sand samples exhibit features reflecting their composition. Basic multivariate analysis (MVA) can be used to effectively sort subsets of homogeneous specimens collected from nearby locations, as well as pointing out similarities in composition among sands of different origins.…

Survey of Material for an Infrared-Opaque Coating

NASA Technical Reports Server (NTRS)

Smith, Sheldon M.; Howitt, Richard V.

1986-01-01

More than 40 reflectance spectra in the range from 20 to 500 microns have been obtained for a variety of coatings, binders, and additives to identify promising components of an infrared-opaque coating for the Space Infrared Telescope Facility. Certain combinations of materials showed a specular reflectance below 0.1 throughout the spectral range measured. In addition to estimating the optical constants of several combination coatings, this survey also supports three qualitative conclusions: (1) promising off-the-shelf binders of different additives are Chemglaze Z-306, ECP-2200, and De Soto Black; (2) carbon black is very effective in reducing far-infrared reflectance; (3) the far-infrared reflectance from coatings containing 80 SiC grit is consistently lower than that from similar coatings containing TiBr powder.

Survey of material for an infrared-opaque coating

NASA Technical Reports Server (NTRS)

Smith, Sheldon M.; Howitt, Richard V.

1986-01-01

More than 40 reflectance spectra in the range from 20 to 500 microns have been obtained of a variety of coatings, binders, and additives to identify promising components of an infrared-opaque coating for the Space Infrared Telescope Facility. Certain combinations of materials showed a specular reflectance below 0.1 throughout the spectral range measured. In addition to estimating the optical constants of several combination coatings, this survey also supports three qualitative conclusions: (1) promising 'off-the-shelf' binders of different additives are Chemglaze Z-306, ECP-2200, and De Soto Black; (2) carbon black is very effective reducing far-infrared reflectance; and (3) the far-infrared reflectance from coatings containing 80 SiC grit is consistently lower than that from similar coatings containing TlBr powder.

Nondestructive estimation of wood chemical composition of sections of radial wood strips by diffuse reflectance near infrared spectroscopy

Treesearch

P. David Jones; Laurence R. Schimleck; Gary F. Peter; Richard F. Daniels; Alexander Clark

2006-01-01

The use of calibrated near infrared (NIR) spectroscopy for predicting the chemical composition of Pirus taeda L. (loblolly pine) wood samples is investigated. Seventeen P. taeda radial strips, representing seven different sites were selected and NlR spectra were obtained from the radial longitudinal face of each strip. The spectra...

Derivation of optical constants for nanophase hematite and application to modeled abundances from in-situ Martian reflectance spectra

NASA Astrophysics Data System (ADS)

Lucey, Paul G.; Trang, David; Johnson, Jeffrey R.; Glotch, Timothy D.

2018-01-01

Several studies have detected the presence of nanophase ferric oxide, such as nanophase hematite, across the martian surface through spacecraft and rover data. In this study, we used the radiative transfer method to detect and quantify the abundance of these nanophase particles. Because the visible/near-infrared spectral characteristics of hematite > 10 nm in size are different from nanophase hematite < 10 nm, there are not any adequate optical constants of nanophase hematite to study visible to near-infrared rover/spacecraft data of the martian surface. Consequently, we found that radiative transfer models based upon the optical constants of crystalline hematite are unable to reproduce laboratory spectra of nanophase hematite. In order to match the model spectra to the laboratory spectra, we developed a new set of optical constants of nanophase hematite in the visible and near-infrared and found that radiative transfer models based upon these optical constants consistently model the laboratory spectra. We applied our model to the passive bidirectional reflectance spectra data from the Chemistry and Camera (ChemCam) instrument onboard the Mars Science Laboratory rover, Curiosity. After modeling six spectra representing different major units identified during the first year of rover operations, we found that the nanophase hematite abundance was no more than 4 wt%.

Sediment mineralogy based on visible and near-infrared reflectance spectroscopy

USGS Publications Warehouse

Jarrard, R.D.; Vanden Berg, M.D.; ,

2006-01-01

Visible and near-infrared spectroscopy (VNIS) can be used to measure reflectance spectra (wavelength 350-2500 nm) for sediment cores and samples. A local ground-truth calibration of spectral features to mineral percentages is calculated by measuring reflectance spectra for a suite of samples of known mineralogy. This approach has been tested on powders, core plugs and split cores, and we conclude that it works well on all three, unless pore water is present. Initial VNIS studies have concentrated on determination of relative proportions of carbonate, opal, smectite and illite in equatorial Pacific sediments. Shipboard VNIS-based determination of these four components was demonstrated on Ocean Drilling Program Leg 199. ?? The Geological Society of London 2006.

Influence of earlobe thickness on near infrared spectroscopy

NASA Astrophysics Data System (ADS)

Jiang, Jingying; Wang, Tianpei; Li, Si; Li, Lin; Liu, Jiajia; Xu, Kexin

2017-03-01

Near-infrared spectroscopy has been recognized as a potential technology for noninvasive blood glucose sensing. However, the detected spectral signal is unstable mainly because of (1) the weak light absorption of glucose itself within NIR range, (2) the influence of temperature and individual differences of biotissue. Our previous results demonstrated that the synergistic effect of both transmittance and reflectance could enhance the strength of the detection signal. In this talk, we design a set of experiments to analyze the effect of earlobe thickness on Near Infrared spectroscopic measurement by using home-made optical fiber probe within the wavelength of 1000-1600nm. Firstly, we made a MC simulation of single-layer skin model and five-layer skin model to get the diffused transmittance spectra and diffused reflectance spectra under different optaical path lengths. And then we obtain the spectra of the earlobes from different volunteers by the same way. The experimental results showed that with the increase of the thickness,the light intensity of diffused transmittance decreases, and the light intensity of diffused reflectance remaines substantially unchanged.

Catheter based mid-infrared reflectance and reflectance generated absorption spectroscopy

DOEpatents

Holman, Hoi-Ying N

2013-10-29

A method of characterizing conditions in a tissue, by (a) providing a catheter that has a light source that emits light in selected wavenumbers within the range of mid-IR spectrum; (b) directing the light from the catheter to an area of tissue at a location inside a blood vessel of a subject; (c) collecting light reflected from the location and generating a reflectance spectra; and (d) comparing the reflectance spectra to a reference spectra of normal tissue, whereby a location having an increased number of absorbance peaks at said selected wavenumbers indicates a tissue inside the blood vessel containing a physiological marker for atherosclerosis.

Infrared Spectroscopy of Blood for Disease Identification

NASA Astrophysics Data System (ADS)

Pichardo, J. L.; Huerta-Franco, R.; Álvarez, R. R.; Bernal, J.; Gutiérrez-Juárez, G.; Palomares-Anda, P.

2003-09-01

Total reflectance attenuated infrared Fourier transform spectroscopy was used to analyze blood samples. Plasma and red blood cells were separated by centrifugation. The spectra were recorded from 200 to 4000 cm-1 under the same conditions for all samples. Samples of healthy donors were compared with those patients with different diseases (polycythemia and high blood pressure). Patients were under medical control at the time of the study. However, the preliminary results reveal that blood samples from healthy subjects had different infrared spectra compared to the non healthy patients.

Infrared spectral properties of germ, pericarp, and endosperm sections of sound wheat kernels and those damaged by Fusarium graminearum

USDA-ARS?s Scientific Manuscript database

Mid-infrared attenuated total reflectance (MIR-ATR) spectra (4000-380 cm-1) of pericarp, germ, and endosperm sections from sound and Fusarium-damaged wheat kernels of cultivars Everest and Tomahawk were collected using a Fourier Transform Infrared (FTIR) spectrometer. The differences in infrared abs...

Development of Infrared Library Search Prefilters for Automotive Clear Coats from Simulated Attenuated Total Reflection (ATR) Spectra.

PubMed

Perera, Undugodage Don Nuwan; Nishikida, Koichi; Lavine, Barry K

2018-06-01

A previously published study featuring an attenuated total reflection (ATR) simulation algorithm that mitigated distortions in ATR spectra was further investigated to evaluate its efficacy to enhance searching of infrared (IR) transmission libraries. In the present study, search prefilters were developed from transformed ATR spectra to identify the assembly plant of a vehicle from ATR spectra of the clear coat layer. A total of 456 IR transmission spectra from the Paint Data Query (PDQ) database that spanned 22 General Motors assembly plants and served as a training set cohort were transformed into ATR spectra by the simulation algorithm. These search prefilters were formulated using the fingerprint region (1500 cm -1 to 500 cm -1 ). Both the transformed ATR spectra (training set) and the experimental ATR spectra (validation set) were preprocessed for pattern recognition analysis using the discrete wavelet transform, which increased the signal-to-noise of the ATR spectra by concentrating the signal in specific wavelet coefficients. Attenuated total reflection spectra of 14 clear coat samples (validation set) measured with a Nicolet iS50 Fourier transform IR spectrometer were correctly classified as to assembly plant(s) of the automotive vehicle from which the paint sample originated using search prefilters developed from 456 simulated ATR spectra. The ATR simulation (transformation) algorithm successfully facilitated spectral library matching of ATR spectra against IR transmission spectra of automotive clear coats in the PDQ database.

Near-infrared reflectance spectra of mixtures of kaolin-group minerals: Use in clay mineral studies

USGS Publications Warehouse

Crowley, James K.; Vergo, Norma

1988-01-01

Near-infrared (NIR) reflectance spectra for mixtures of ordered kaolinite and ordered dickite have been found to simulate the spectral response of disordered kaolinite. The amount of octahedral vacancy disorder in nine disordered kaolinite samples was estimated by comparing the sample spectra to the spectra of reference mixtures. The resulting estimates are consistent with previously published estimates of vacancy disorder for similar kaolin minerals that were modeled from calculated X-ray diffraction patterns. The ordered kaolinite and dickite samples used in the reference mixtures were carefully selected to avoid undesirable particle size effects that could bias the spectral results.NIR spectra were also recorded for laboratory mixtures of ordered kaolinite and halloysite to assess whether the spectra could be potentially useful for determining mineral proportions in natural physical mixtures of these two clays. Although the kaolinite-halloysite proportions could only be roughly estimated from the mixture spectra, the halloysite component was evident even when halloysite was present in only minor amounts. A similar approach using NIR spectra for laboratory mixtures may have applications in other studies of natural clay mixtures.

On-line database of voltammetric data of immobilized particles for identifying pigments and minerals in archaeometry, conservation and restoration (ELCHER database).

PubMed

Doménech-Carbó, Antonio; Doménech-Carbó, María Teresa; Valle-Algarra, Francisco Manuel; Gimeno-Adelantado, José Vicente; Osete-Cortina, Laura; Bosch-Reig, Francisco

2016-07-13

A web-based database of voltammograms is presented for characterizing artists' pigments and corrosion products of ceramic, stone and metal objects by means of the voltammetry of immobilized particles methodology. Description of the website and the database is provided. Voltammograms are, in most cases, accompanied by scanning electron microphotographs, X-ray spectra, infrared spectra acquired in attenuated total reflectance Fourier transform infrared spectroscopy mode (ATR-FTIR) and diffuse reflectance spectra in the UV-Vis-region. For illustrating the usefulness of the database two case studies involving identification of pigments and a case study describing deterioration of an archaeological metallic object are presented. Copyright © 2016 Elsevier B.V. All rights reserved.

Artifact Correction in Temperature-Dependent Attenuated Total Reflection Infrared (ATR-IR) Spectra.

PubMed

Sobieski, Brian; Chase, Bruce; Noda, Isao; Rabolt, John

2017-08-01

A spectral processing method was developed and tested for analyzing temperature-dependent attenuated total reflection infrared (ATR-IR) spectra of aliphatic polyesters. Spectra of a bio-based, biodegradable polymer, 3.9 mol% 3HHx poly[(R)-3-hydroxybutyrate- co-(R)-3-hydroxyhexanoate] (PHBHx), were analyzed and corrected prior to analysis using two-dimensional correlation spectroscopy (2D-COS). Removal of the temperature variation of diamond absorbance, correction of the baseline, ATR correction, and appropriate normalization were key to generating more reliable data. Both the processing steps and order were important. A comparison to differential scanning calorimetry (DSC) analysis indicated that the normalization method should be chosen with caution to avoid unintentional trends and distortions of the crystalline sensitive bands.

Study of vibrational modes in CuxAg1-xIn5S8 mixed crystals by infrared reflection measurements

NASA Astrophysics Data System (ADS)

Gasanly, N. M.

2018-04-01

Infrared reflection spectra of CuxAg1-xIn5S8 mixed crystals, grown by Bridgman method, were studied in the wide frequency range of 50-2000 cm-1. All four infrared-active modes were detected, which are in full agreement with the prediction of group-theoretical analysis. Real and imaginary parts of the dielectric function, refractive index and the energy losses function were evaluated from reflectivity measurements. The frequencies of TO and LO modes and oscillator strengths were also determined. The bands detected in IR spectra of studied crystals were assigned to various vibration types (valence and valence-deformation) on the basis of the symmetrized displacements of atoms obtained employing the Melvin projection operators. The linear dependencies of optical mode frequencies on the composition of CuxAg1-xIn5S8 mixed crystals were obtained. These dependencies display one-mode behavior.

Infrared reflectance spectroscopy of MgAl2O4 nanoparticles substituted by K+ ions

NASA Astrophysics Data System (ADS)

Ahmad, Javed; Qadeer Awan, M.; Yasmin, Roomana; Sabir, Maria; Anwar, Shafiq; Ehsan Mazhar, M.; Hamad Bukhari, Syed

2018-03-01

The infrared reflectivity spectra for potassium-doped polycrystalline magnesium aluminates Mg1-xKxAl2O4 (x=0, 0.25, 0.50, 0.75, 1) are measured in the frequency range between 10-15, 500 cm-1 using FTIR spectrometer at room-temperature. Four optical phonon modes are observed in measured spectra, which are fitted by Lorentz oscillator model for semiconducting behavior and Lorentz-Drude model for metallic behavior. Moreover, optical parameters are also determined for these modes which may attribute to spinel structure for samples Mg1-xKxAl2O4, their reflectivity spectra shows a typical semiconducting nature. To study ionicity and effect of polarization, Born and Szigeti effective charges are calculated from longitudinal optical and transverse optical (LO-TO) splitting of modes for all samples. Optical bandgap has been estimated through optical conductivity (σ(ω)) and found to be x dependent.

Cryogenic Infrared Reflectance Spectra of Organic Ices and Their Relevance to the Surface Composition of Titan

NASA Astrophysics Data System (ADS)

Curchin, John; Clark, R. N.; Hoefen, T. M.

2006-09-01

In order to properly interpret reflectance spectra of Titan's surface, laboratory spectra of candidate materials for comparative analysis is needed. Although the common cosmochemical species (H2O, CO2, CO, NH3, and CH4) are well represented in the spectroscopic literature, comparatively little reflectance work has been done on organics at cryotemperatures at visible to near infrared wavelengths. Measurement of reflectance is required for characterizing weak features not seen in transmittance. Such features may be important in remote sensing of planetary surfaces. The USGS Spectroscopy Laboratory uses Nicolet FT-IR and ASD field spectrometers in combination with cryogenic chambers to acquire reflectance spectra of organic ices at approximately 80-90 ºK in a wavelength range of 0.35 to 15.5 microns. This region encompasses the fundamental absorptions and many overtones and combinations of major organic molecules including those with hydrogen-carbon, carbon-carbon (single, double and triple bonds), carbon-oxygen, oxygen-hydrogen, carbon-nitrogen, and nitrogen-hydrogen bonds. Because most organic compounds belong to families with similar structure and composition, individual species identification within a narrow wavelength range may be ambiguous. Only by measuring spectral reflectance of the pure laboratory ices from the visible through the near and mid-infrared can absorption bands unique to each be observed, cataloged and compared to planetary reflectance data. We present here spectra of organic ices belonging to eight families, the alkanes, cycloalkanes, alkenes, alkynes, aromatics, nitriles, amines, and cyanides. Many of these compounds are predicted to coat the surface of Titan and indeed, a number of atmospheric windows, particularly at 5 microns, have allowed their identification with VIMS (Clark et al., DPS 2006, this volume). The spectral properties of these materials have applications to other solar system surfaces and remote sensing of terrestrial environments, including hazardous waste and disaster site characterization.

Monitoring Prepregs As They Cure

NASA Technical Reports Server (NTRS)

Young, P. R.; Gleason, J. R.; Chang, A. C.

1986-01-01

Quality IR spectra obtained in dynamic heating environment. New technique obtains quality infrared spectra on graphite-fiber-reinforced, polymeric-matrix-resin prepregs as they cure. Technique resulted from modification of diffuse reflectance/Fourier transform infrared (DR/FTIR) technique previously used to analyze environmentally exposed cured graphite composites. Technique contribute to better understanding of prepreg chemistry/temperature relationships and development of more efficient processing cycles for advanced materials.

A whole image approach using field measurements for transforming EO1 Hyperion hyperspectral data into canopy reflectance spectra

USGS Publications Warehouse

Ramsey, Elijah W.; Nelson, G.

2005-01-01

To maximize the spectral distinctiveness (information) of the canopy reflectance, an atmospheric correction strategy was implemented to provide accurate estimates of the intrinsic reflectance from the Earth Observing 1 (EO1) satellite Hyperion sensor signal. In rendering the canopy reflectance, an estimate of optical depth derived from a measurement of downwelling irradiance was used to drive a radiative transfer simulation of atmospheric scattering and attenuation. During the atmospheric model simulation, the input whole-terrain background reflectance estimate was changed to minimize the differences between the model predicted and the observed canopy reflectance spectra at 34 sites. Lacking appropriate spectrally invariant scene targets, inclusion of the field and predicted comparison maximized the model accuracy and, thereby, the detail and precision in the canopy reflectance necessary to detect low percentage occurrences of invasive plants. After accounting for artifacts surrounding prominent absorption features from about 400nm to 1000nm, the atmospheric adjustment strategy correctly explained 99% of the observed canopy reflectance spectra variance. Separately, model simulation explained an average of 88%??9% of the observed variance in the visible and 98% ?? 1% in the near-infrared wavelengths. In the 34 model simulations, maximum differences between the observed and predicted reflectances were typically less than ?? 1% in the visible; however, maximum reflectance differences higher than ?? 1.6% (

Rapid profiling of Swiss cheese by attenuated total reflectance (ATR) infrared spectroscopy and descriptive sensory analysis.

PubMed

Kocaoglu-Vurma, N A; Eliardi, A; Drake, M A; Rodriguez-Saona, L E; Harper, W J

2009-08-01

The acceptability of cheese depends largely on the flavor formed during ripening. The flavor profiles of cheeses are complex and region- or manufacturer-specific which have made it challenging to understand the chemistry of flavor development and its correlation with sensory properties. Infrared spectroscopy is an attractive technology for the rapid, sensitive, and high-throughput analysis of foods, providing information related to its composition and conformation of food components from the spectra. Our objectives were to establish infrared spectral profiles to discriminate Swiss cheeses produced by different manufacturers in the United States and to develop predictive models for determination of sensory attributes based on infrared spectra. Fifteen samples from 3 Swiss cheese manufacturers were received and analyzed using attenuated total reflectance infrared spectroscopy (ATR-IR). The spectra were analyzed using soft independent modeling of class analogy (SIMCA) to build a classification model. The cheeses were profiled by a trained sensory panel using descriptive sensory analysis. The relationship between the descriptive sensory scores and ATR-IR spectra was assessed using partial least square regression (PLSR) analysis. SIMCA discriminated the Swiss cheeses based on manufacturer and production region. PLSR analysis generated prediction models with correlation coefficients of validation (rVal) between 0.69 and 0.96 with standard error of cross-validation (SECV) ranging from 0.04 to 0.29. Implementation of rapid infrared analysis by the Swiss cheese industry would help to streamline quality assurance.

Spectroscopy and reactivity of mineral analogs of the Martian soil

NASA Technical Reports Server (NTRS)

Banin, A.; Orenberg, J.; Roush, T.

1991-01-01

To answer the question of why life occurred on Earth but not on Mars requires a study of the geochemical and physical aspects of the Martian soil. Some of the best Mars analog mineral models of the soil have been prepared and justified according to known constraints of chemical composition, reflectance spectroscopy, and chemical reactivity. Detailed laboratory reflectance spectra in the ultraviolet, visible, and near infrared (.30 to 2.5 microns) and the infrared (2.5 to 25 microns) regions have been obtained for the pure candidate minerals and some analog mixtures and compared to Mars reflectance spectra. Modeling of the reflectance spectra from optical constraints determined for the analog minerals has begun and will be interpreted in terms of the effects of particle size variation, component mixing, and soil packing upon remotely sensed reflectance spectra. This has implications not only for Mars, but for other planets and planetoids. The ratio of Fe(II)/Fe(III) in the Martian soil analog materials on spectral reflectance in the visible range has begun, and the results will be evaluated according to conformity with the visible Mars reflectance spectrum. Some initial LR and GEX data have been collected for the mineral samples and their mixtures, which can be compared with the Viking data and interpreted in terms of the redox (Fe(II)/Fe(III) environment.

Far-infrared Beamline at the Canadian Light Source

NASA Astrophysics Data System (ADS)

Zhao, Jianbao; Billinghurst, Brant

2017-06-01

Far-infrared is a particularly useful technique for studies on lattice modes as they generally appear in the Far-infrared region. Far-infrared is also an important tool for gathering information on the electrical transport properties of metallic materials and the band gap of semiconductors. This poster will describe the horizontal microscope that has recently been built in the Far-infrared beamline at the Canadian Light Source Inc. (CLS). This microscope is specially designed for high-pressure Far-infrared absorbance and reflectance spectroscopic studies. The numerical aperture (0.5) and the long working distance (82.1 mm) in the microscope are good fits for Diamond Anvil Cell (DAC). The spectra are recorded using liquid helium cooled Si bolometer or Ge:Cu detector. The pressure in the DAC can be determined by using the fluorescence spectrometer available onsite. The Far-infrared beamline at CLS is a state-of-the-art synchrotron facility, offering significantly more brightness than conventional sources. Because of the high brightness of the synchrotron radiation, we can obtain the Far-infrared reflectance/absorbance spectra on the small samples with more throughput than with a conventional source. The Far-infrared beamline is open to users through peer review.

Visible and near-infrared reflectance spectroscopy of planetary analog materials. Experimental facility at Laboratoire de Planetologie de Grenoble.

NASA Astrophysics Data System (ADS)

Pommerol, A.; Brissaud, O.; Schmitt, B.; Quirico, E.; Doute, S.

2007-08-01

We have developed an original experimental facility designed to measure the bidirectional reflectance spectra of planetary analog materials. These measurements are helpful to interpret the observations of the spectrometers on board space probes in orbit around various Solar System bodies. The central part of the facility is the LPG spectrogonio- radiometer (Brissaud et al., 2004). This instrument provides measurements of samples BRDF (Bidirectional Reflectance Distribution Function) with high photometric and spectrometric accuracy in the spectral range of visible and near-infrared (0.3 - 4.8 microns). Measurements can be made at any value of incidence and emergence angle up to 80°. Azimuth angle is allowed to vary between 0 and 180°. The instrument was recently installed in a cold room allowing ambient temperatures as low as -20°C. This makes possible the measurements on different kinds of water ice samples (slab ice, frost, snow...) and mixtures of minerals and water ice with unprecedented accuracy. We also have designed and built a simulation chamber to measure spectra of samples (water ice and/or minerals) under an atmosphere with perfectly controlled temperature, pressure and composition. The main objective of this last improvement is the study of water exchange between planetary regolith analogs and atmosphere (adsorption/ desorption, condensation/sublimation). Experimental results will mainly apply to Martian water cycle and hydrated mineralogy. This simulation chamber also provides an efficient way to obtain bidirectional reflectance spectra of dry materials (removal of adsorbed water) with implications for planetary bodies without atmospheric or surface water (Titan, asteroids...). The reflectance spectroscopy facility is part of a large panel of instruments and techniques available at Laboratoire de Planetologie de Grenoble that provide complementary measurements on the same samples: infrared transmission spectroscopy of thin ice films, thick liquid and solid samples and samples diluted in KBr pellets, infrared imaging microscope, numerical modeling of bidirectional reflectance spectra using laboratory-measured optical constants. We will present different examples of experimental results obtained on the reflectance spectroscopy facility: - Effects of particle size, mixtures between samples with different albedo and measurement geometries on the water-of-hydration near-infrared absorption signatures with implications for the Martian regolith water content. - BRDF of regolith analogs and natural snow. - Hydration and dehydration of planetary analogs. - Spectra of different kinds of mixtures between water ice and minerals. We will briefly discuss the planetary implications of each of these measurements and detail the future investigations that will be undertaken on our experimental facility.

Specular Reflection and Diffuse Reflectance Spectroscopy of Soils

USDA-ARS?s Scientific Manuscript database

Studies on the occurrence and effects of specular reflection in mid-infrared spectra of soils have shown that distortions due to specular reflection occur for both organic (humic acid) and non-organic fractions (carbonates, silica, ashed fraction of soil). The results demonstrated explain why the s...

Pectin functionalised by fatty acids: Diffuse reflectance infrared Fourier transform (DRIFT) spectroscopic characterisation

NASA Astrophysics Data System (ADS)

Kamnev, Alexander A.; Calce, Enrica; Tarantilis, Petros A.; Tugarova, Anna V.; De Luca, Stefania

2015-01-01

Chemically modified pectin derivatives obtained by partial esterification of its hydroxyl moieties with fatty acids (FA; oleic, linoleic and palmitic acids), as well as the initial apple peel pectin were comparatively characterised using diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy. Characteristic changes observed in DRIFT spectra in going from pectin to its FA esters are related to the corresponding chemical modifications. Comparing the DRIFT spectra with some reported data on FTIR spectra of the same materials measured in KBr or NaCl matrices has revealed noticeable shifts of several polar functional groups both in pectin and in its FA-esterified products induced by the halide salts. The results obtained have implications for careful structural analyses of biopolymers with hydrophilic functional groups by means of different FTIR spectroscopic methodologies.

Application of linear discriminant analysis and Attenuated Total Reflectance Fourier Transform Infrared microspectroscopy for diagnosis of colon cancer.

PubMed

Khanmohammadi, Mohammadreza; Bagheri Garmarudi, Amir; Samani, Simin; Ghasemi, Keyvan; Ashuri, Ahmad

2011-06-01

Attenuated Total Reflectance Fourier Transform Infrared (ATR-FTIR) microspectroscopy was applied for detection of colon cancer according to the spectral features of colon tissues. Supervised classification models can be trained to identify the tissue type based on the spectroscopic fingerprint. A total of 78 colon tissues were used in spectroscopy studies. Major spectral differences were observed in 1,740-900 cm(-1) spectral region. Several chemometric methods such as analysis of variance (ANOVA), cluster analysis (CA) and linear discriminate analysis (LDA) were applied for classification of IR spectra. Utilizing the chemometric techniques, clear and reproducible differences were observed between the spectra of normal and cancer cases, suggesting that infrared microspectroscopy in conjunction with spectral data processing would be useful for diagnostic classification. Using LDA technique, the spectra were classified into cancer and normal tissue classes with an accuracy of 95.8%. The sensitivity and specificity was 100 and 93.1%, respectively.

Detection and identification of explosive particles in fingerprints using attenuated total reflection-Fourier transform infrared spectromicroscopy.

PubMed

Mou, Yongyan; Rabalais, J Wayne

2009-07-01

The application of attenuated total reflection (ATR)-Fourier transform infrared (FTIR) spectromicroscopy for detection of explosive particles in fingerprints is described. The combined functions of ATR-FTIR spectromicroscopy are visual searching of particles in fingerprints and measuring the FTIR spectra of the particles. These functions make it possible to directly identify whether a suspect has handled explosives from the fingerprints alone. Particles in explosive contaminated fingerprints are either ingredients of the explosives, finger residues, or other foreign materials. These cannot normally be discriminated by their morphology alone. ATR-FTIR spectra can provide both particle morphology and composition. Fingerprints analyzed by ATR-FTIR can be used for further analysis and identification because of its non-destructive character. Fingerprints contaminated with three different types of explosives, or potential explosives, have been analyzed herein. An infrared spectral library was searched in order to identify the explosive residues. The acquired spectra are compared to those of finger residue alone, in order to differentiate such residue from explosive residue.

Characterization of Carrier Concentration and Mobility in n-type SiC Wafers Using Infrared Reflectance Spectroscopy

NASA Astrophysics Data System (ADS)

Narita, Katsutoshi; Hijikata, Yasuto; Yaguchi, Hiroyuki; Yoshida, Sadafumi; Nakashima, Shinichi

2004-08-01

We have estimated the free-carrier concentration and drift mobility in n-type 6H-SiC wafers in the carrier concentration range of 1017-1019 cm-3 from far- and mid-infrared (30-2000 cm-1) reflectance spectra obtained at room temperature. A modified classical dielectric function model was employed for the analysis. We found good agreement between the electrical properties derived from infrared reflectance spectroscopy and those derived from Hall effect measurements. We have demonstrated the spatial mapping of carrier concentration and mobility for commercially produced 2 inch SiC wafers.

Infrared optical constants, dielectric constants, molar polarizabilities, transition moments, dipole moment derivatives and Raman spectrum of liquid cyclohexane

NASA Astrophysics Data System (ADS)

Keefe, C. Dale; Pickup, Janet E.

2009-06-01

Previous studies have been done in this laboratory focusing on the optical properties of several liquid aromatic and aliphatic hydrocarbons in the infrared. The current study reports the infrared and absorption Raman spectra of liquid cyclohexane. Infrared spectra were recorded at 25 °C over a wavenumber range of 7400-490 cm -1. Infrared measurements were taken using transmission cells with pathlengths ranging from 3 to 5000 μm. Raman spectra were recorded between 3700 and 100 cm -1 at 25 °C using a 180° reflection geometry. Ab initio calculations of the vibrational wavenumbers at the B3LYP/6311G level of theory were performed and used to help assign the observed IR and Raman spectra. Extensive assignments of the fundamentals and binary combinations observed in the infrared imaginary molar polarizability spectrum are reported. The imaginary molar polarizability spectrum was curve fitted to separate the intensity from the various transitions and used to determine the transition moments and magnitudes of the derivatives of the dipole moment with respect to the normal coordinates for the fundamentals.

Use of reflectance spectra of native plant species for interpreting airborne multispectral scanner data in the East Tintic Mountains, Utah.

USGS Publications Warehouse

Milton, N.M.

1983-01-01

Analysis of in situ reflectance spectra of native vegetation was used to interpret airborne MSS data. Representative spectra from three plant species in the E Tintic Mountains, Utah, were used to interpret the color components on a color ratio composite image made from MSS data in the visible and near-infrared regions. A map of plant communities was made from the color ratio composite image and field checked. -from Author

The infrared spectral properties of frozen volatiles. [in cometary nuclei

NASA Technical Reports Server (NTRS)

Fink, U.; Sill, G. T.

1982-01-01

Since Whipple's dirty snowball model of comet nuclei, it has been generally accepted that volatile ices help to explain cometary phenomena. The infrared spectral properties of many substances that are potential candidates for frozen volatiles in the solar system are being pursued; indeed some of these frozen materials have been found in the solar system: H2O, CO2, and SO2. A review of laboratory spectra in the range 1 to 20 microns of H2O, CO2, SO2, CH4, NH3, H2S, CO, NH4HS and NH3.H2O is presented. Both reflection spectra of thick frosts and transmission spectra of thin films are shown, and their main characteristics are described. Hydrates, clathrates, and composite spectra are discussed. When it is possible to observe the nuclei of comets at close range, it may be possible to identify frozen volatiles by their infrared spectra.

Development of a theory of the spectral reflectance of minerals, part 4

NASA Technical Reports Server (NTRS)

Aronson, J. R.; Emslie, A. G.; Smith, E. M.

1972-01-01

A theory of the spectral reflectance or emittance of particulate minerals was developed. The theory is expected to prove invaluable in the interpretation of the remote infrared spectra of planetary surfaces.

Non-invasive identification of organic materials in historical stringed musical instruments by reflection infrared spectroscopy: a methodological approach.

PubMed

Invernizzi, Claudia; Daveri, Alessia; Vagnini, Manuela; Malagodi, Marco

2017-05-01

The analysis of historical musical instruments is becoming more relevant and the interest is increasingly moving toward the non-invasive reflection FTIR spectroscopy, especially for the analysis of varnishes. In this work, a specific infrared reflectance spectral library of organic compounds was created with the aim of identifying musical instrument materials in a totally non-invasive way. The analyses were carried out on pure organic compounds, as bulk samples and laboratory wooden models, to evaluate the diagnostic reflection mid-infrared (MIR) bands of proteins, polysaccharides, lipids, and resins by comparing reflection spectra before and after the KK correction. This methodological approach was applied to real case studies represented by four Stradivari violins and a Neapolitan mandolin.

Leaf and canopy reflectance spectrometry applied to the estimation of angular leaf spot disease severity of common bean crops

PubMed Central

Martínez-Martínez, Víctor; Machado, Marley L.; Pinto, Francisco A. C.

2018-01-01

This study is aimed at (i) estimating the angular leaf spot (ALS) disease severity in common beans crops in Brazil, caused by the fungus Pseudocercospora griseola, employing leaf and canopy spectral reflectance data, (ii) evaluating the informative spectral regions in the detection, and (iii) comparing the estimation accuracy when the reflectance or the first derivative reflectance (FDR) is employed. Three data sets of useful spectral reflectance measurements in the 440 to 850 nm range were employed; measurements were taken over the leaves and canopy of bean crops with different levels of disease. A system based in Principal Component Analysis (PCA) and Artificial Neural Networks (ANN) was developed to estimate the disease severity from leaf and canopy hyperspectral reflectance spectra. Levels of disease to be taken as true reference were determined from the proportion of the total leaf surface covered by necrotic lesions on RGB images. When estimating ALS disease severity in bean crops by using hyperspectral reflectance spectrometry, this study suggests that (i) successful estimations with coefficients of determination up to 0.87 can be achieved if the spectra is acquired by the spectroradiometer in contact with the leaves, (ii) unsuccessful estimations are obtained when the spectra are acquired by the spectroradiometer from one or more meters above the crop, (iii) the red to near-infrared spectral region (630–850 nm) offers the same precision in the estimation as the blue to near-infrared spectral region (440–850), and (iv) neither significant improvements nor significant detriments are achieved when the input data to the estimation processing system are the FDR spectra, instead of the reflectance spectra. PMID:29698420

Thermal removal from near-infrared imaging spectroscopy data of the Moon

USGS Publications Warehouse

Clark, R.N.; Pieters, C.M.; Green, R.O.; Boardman, J.W.; Petro, N.E.

2011-01-01

In the near-infrared from about 2 ??m to beyond 3 ??m, the light from the Moon is a combination of reflected sunlight and emitted thermal emission. There are multiple complexities in separating the two signals, including knowledge of the local solar incidence angle due to topography, phase angle dependencies, emissivity, and instrument calibration. Thermal emission adds to apparent reflectance, and because the emission's contribution increases over the reflected sunlight with increasing wavelength, absorption bands in the lunar reflectance spectra can be modified. In particular, the shape of the 2 ??m pyroxene band can be distorted by thermal emission, changing spectrally determined pyroxene composition and abundance. Because of the thermal emission contribution, water and hydroxyl absorptions are reduced in strength, lowering apparent abundances. It is important to quantify and remove the thermal emission for these reasons. We developed a method for deriving the temperature and emissivity from spectra of the lunar surface and removing the thermal emission in the near infrared. The method is fast enough that it can be applied to imaging spectroscopy data on the Moon. Copyright ?? 2011 by the American Geophysical Union.

Thermal removal from near-infrared imaging spectroscopy data of the Moon

USGS Publications Warehouse

Clark, Roger N.; Pieters, Carle M.; Green, Robert O.; Boardman, J.W.; Petro, Noah E.

2011-01-01

In the near-infrared from about 2 μm to beyond 3 μm, the light from the Moon is a combination of reflected sunlight and emitted thermal emission. There are multiple complexities in separating the two signals, including knowledge of the local solar incidence angle due to topography, phase angle dependencies, emissivity, and instrument calibration. Thermal emission adds to apparent reflectance, and because the emission's contribution increases over the reflected sunlight with increasing wavelength, absorption bands in the lunar reflectance spectra can be modified. In particular, the shape of the 2 μm pyroxene band can be distorted by thermal emission, changing spectrally determined pyroxene composition and abundance. Because of the thermal emission contribution, water and hydroxyl absorptions are reduced in strength, lowering apparent abundances. It is important to quantify and remove the thermal emission for these reasons. We developed a method for deriving the temperature and emissivity from spectra of the lunar surface and removing the thermal emission in the near infrared. The method is fast enough that it can be applied to imaging spectroscopy data on the Moon.

Forging Asteroid-Meteorite Relationships Through Reflectance Spectroscopy

NASA Technical Reports Server (NTRS)

Burbine, T. H.; Binzel, R. P.; Bus, S. J.; Buchanan, P. C.; Hinrichs, J. L.; Meibom, A.; Hiroi, T.; Sunshine, J. M.

2000-01-01

Near-infrared spectra were obtained for 196 asteroids as part of SMASSIR. SMASSIR focused on observing asteroids assumed to be one of the following: (1) olivine-rich, (2) objects with "Vesta-like spectra" (the "Vestoids"), and (3) postulated meteorite parent bodies.

Optical diffuse reflectance accessory for measurements of skin tissue by near-infrared spectroscopy

NASA Astrophysics Data System (ADS)

Marbach, R.; Heise, H. M.

1995-02-01

An optimized accessory for measuring the diffuse reflectance spectra of human skin tissue in the near-infrared spectral range is presented. The device includes an on-axis ellipsoidal collecting mirror with efficient illumination optics for small sampling areas of bulky body specimens. The optical design is supported by the results of a Monte Carlo simulation study of the reflectance characteristics of skin tissue. Because the results evolved from efforts to measure blood glucose noninvasively, the main emphasis is placed on the long-wavelength near-infrared range where sufficient penetration depth for radiation into tissue is still available. The accessory is applied for in vivo diffuse reflectance measurements.

Identification of cattle, llama and horse meat by near infrared reflectance or transflectance spectroscopy.

PubMed

Mamani-Linares, L W; Gallo, C; Alomar, D

2012-02-01

Visible and near infrared reflectance spectroscopy (VIS-NIRS) was used to discriminate meat and meat juices from three livestock species. In a first trial, samples of Longissimus lumborum muscle, corresponding to beef (31) llamas (21) and horses (27), were homogenised and their spectra collected in reflectance (NIRSystems 6500 scanning monochromator, in the range of 400-2500 nm). In the second trial, samples of meat juice (same muscle) from the same species (20 beef, 19 llama and 19 horse) were scanned in folded transmission (transflectance). Discriminating models (PLS regression) were developed against "dummy" variables, testing different mathematical treatments of the spectra. Best models indentified the species of almost all samples by their meat (reflectance) or meat juice (transflectance) spectra. A few (three of beef and one of llama, for meat samples; one of beef and one of horse, for juice samples) were classified as uncertain. It is concluded that NIRS is an effective tool to recognise meat and meat juice from beef, llama and horses. Copyright © 2011 Elsevier Ltd. All rights reserved.

Visible/near-infrared spectral diversity from in situ observations of the Bagnold Dune Field sands in Gale Crater, Mars

NASA Astrophysics Data System (ADS)

Johnson, Jeffrey R.; Achilles, Cherie; Bell, James F.; Bender, Steve; Cloutis, Edward; Ehlmann, Bethany; Fraeman, Abigail; Gasnault, Olivier; Hamilton, Victoria E.; Le Mouélic, Stéphane; Maurice, Sylvestre; Pinet, Patrick; Thompson, Lucy; Wellington, Danika; Wiens, Roger C.

2017-12-01

As part of the Bagnold Dune campaign conducted by Mars Science Laboratory rover Curiosity, visible/near-infrared reflectance spectra of dune sands were acquired using Mast Camera (Mastcam) multispectral imaging (445-1013 nm) and Chemistry and Camera (ChemCam) passive point spectroscopy (400-840 nm). By comparing spectra from pristine and rover-disturbed ripple crests and troughs within the dune field, and through analysis of sieved grain size fractions, constraints on mineral segregation from grain sorting could be determined. In general, the dune areas exhibited low relative reflectance, a weak 530 nm absorption band, an absorption band near 620 nm, and a spectral downturn after 685 nm consistent with olivine-bearing sands. The finest grain size fractions occurred within ripple troughs and in the subsurface and typically exhibited the strongest 530 nm bands, highest relative reflectances, and weakest red/near-infrared ratios, consistent with a combination of crystalline and amorphous ferric materials. Coarser-grained samples were the darkest and bluest and exhibited weaker 530 nm bands, lower relative reflectances, and stronger downturns in the near-infrared, consistent with greater proportions of mafic minerals such as olivine and pyroxene. These grains were typically segregated along ripple crests and among the upper surfaces of grain flows in disturbed sands. Sieved dune sands exhibited progressive decreases in reflectance with increasing grain size, as observed in laboratory spectra of olivine size separates. The continuum of spectral features observed between the coarse- and fine-grained dune sands suggests that mafic grains, ferric materials, and air fall dust mix in variable proportions depending on aeolian activity and grain sorting.

Fluid synthesis and structure of a new polymorphic modification of boron nitride

NASA Astrophysics Data System (ADS)

Pokropivny, V. V.; Smolyar, A. S.; Ovsiannikova, L. I.; Pokropivny, A. V.; Kuts, V. A.; Lyashenko, V. I.; Nesterenko, Yu. V.

2013-04-01

A new previously unknown phase of boron nitride with a hardness of 0.41-0.63 GPa has been pre-pared by the supercritical fluid synthesis. The presence of a new phase is confirmed by the X-ray spectra and IR absorption spectra, where new reflections and bands are distinguished. The fundamental reflection of the X-ray diffraction pattern is d = 0.286-0.291 nm, and the characteristic band in the infrared absorption spectrum is observed at 704 cm-1. The X-ray diffraction pattern and the experimental and theoretical infrared absorption spectra show that a new synthesized boron nitride phase can be a cluster crystal (space group 211) with a simple cubic lattice. Cage clusters of a fullerene-like morphology B24N24 with point symmetry O are arranged in lattice sites.

Analysis of Peanut Seed Oil by NIR

USDA-ARS?s Scientific Manuscript database

Near infrared reflectance spectra (NIRS) were collected from Arachis hypogaea seed samples and used in predictive models to rapidly identify varieties with high oleic acid. The method was developed for shelled peanut seeds with intact testa. Spectra were evaluated initially by principal component an...

A comparative study of mid-infrared diffuse reflection (DR) and attenuated total reflection (ATR) spectroscopy for the detection of fungal infection on RWA2-corn.

PubMed

Kos, Gregor; Krska, Rudolf; Lohninger, Hans; Griffiths, Peter R

2004-01-01

An investigation into the rapid detection of mycotoxin-producing fungi on corn by two mid-infrared spectroscopic techniques was undertaken. Corn samples from a single genotype (RWA2, blanks, and contaminated with Fusarium graminearum) were ground, sieved and, after appropriate sample preparation, subjected to mid-infrared spectroscopy using two different accessories (diffuse reflection and attenuated total reflection). The measured spectra were evaluated with principal component analysis (PCA) and the blank and contaminated samples were classified by cluster analysis. Reference data for fungal metabolites were obtained with conventional methods. After extraction and clean-up, each sample was analyzed for the toxin deoxynivalenol (DON) by gas chromatography with electron capture detection (GC-ECD) and ergosterol (a parameter for the total fungal biomass) by high-performance liquid chromatography with diode array detection (HPLC-DAD). The concentration ranges for contaminated samples were 880-3600 microg/kg for ergosterol and 300-2600 microg/kg for DON. Classification efficiency was 100% for ATR spectra. DR spectra did not show as obvious a clustering of contaminated and blank samples. Results and trends were also observed in single spectra plots. Quantification using a PLS1 regression algorithm showed good correlation with DON reference data, but a rather high standard error of prediction (SEP) with 600 microg/kg (DR) and 490 microg/kg (ATR), respectively, for ergosterol. Comparing measurement procedures and results showed advantages for the ATR technique, mainly owing to its ease of use and the easier interpretation of results that were better with respect to classification and quantification.

Baseline Correction of Diffuse Reflection Near-Infrared Spectra Using Searching Region Standard Normal Variate (SRSNV).

PubMed

Genkawa, Takuma; Shinzawa, Hideyuki; Kato, Hideaki; Ishikawa, Daitaro; Murayama, Kodai; Komiyama, Makoto; Ozaki, Yukihiro

2015-12-01

An alternative baseline correction method for diffuse reflection near-infrared (NIR) spectra, searching region standard normal variate (SRSNV), was proposed. Standard normal variate (SNV) is an effective pretreatment method for baseline correction of diffuse reflection NIR spectra of powder and granular samples; however, its baseline correction performance depends on the NIR region used for SNV calculation. To search for an optimal NIR region for baseline correction using SNV, SRSNV employs moving window partial least squares regression (MWPLSR), and an optimal NIR region is identified based on the root mean square error (RMSE) of cross-validation of the partial least squares regression (PLSR) models with the first latent variable (LV). The performance of SRSNV was evaluated using diffuse reflection NIR spectra of mixture samples consisting of wheat flour and granular glucose (0-100% glucose at 5% intervals). From the obtained NIR spectra of the mixture in the 10 000-4000 cm(-1) region at 4 cm intervals (1501 spectral channels), a series of spectral windows consisting of 80 spectral channels was constructed, and then SNV spectra were calculated for each spectral window. Using these SNV spectra, a series of PLSR models with the first LV for glucose concentration was built. A plot of RMSE versus the spectral window position obtained using the PLSR models revealed that the 8680–8364 cm(-1) region was optimal for baseline correction using SNV. In the SNV spectra calculated using the 8680–8364 cm(-1) region (SRSNV spectra), a remarkable relative intensity change between a band due to wheat flour at 8500 cm(-1) and that due to glucose at 8364 cm(-1) was observed owing to successful baseline correction using SNV. A PLSR model with the first LV based on the SRSNV spectra yielded a determination coefficient (R2) of 0.999 and an RMSE of 0.70%, while a PLSR model with three LVs based on SNV spectra calculated in the full spectral region gave an R2 of 0.995 and an RMSE of 2.29%. Additional evaluation of SRSNV was carried out using diffuse reflection NIR spectra of marzipan and corn samples, and PLSR models based on SRSNV spectra showed good prediction results. These evaluation results indicate that SRSNV is effective in baseline correction of diffuse reflection NIR spectra and provides regression models with good prediction accuracy.

Reflectance Experiment Laboratory (RELAB) Description and User's Manual

NASA Technical Reports Server (NTRS)

Pieters, Carle M.; Hiroi, Takahiro; Pratt, Steve F.; Patterson, Bill

2004-01-01

Spectroscopic data acquired in the laboratory provide the interpretive foundation upon which compositional information about unexplored or unsampled planetary surfaces is derived from remotely obtained reflectance spectra. The RELAB is supported by NASA as a multi-user spectroscopy facility, and laboratory time can be made available at no charge to investigators who are in funded NASA programs. RELAB has two operational spectrometers available to NASA scientists: 1) a near- ultraviolet, visible, and near-infrared bidirectional spectrometer and 2) a near- and mid- infrared FT-IR spectrometer. The overall purpose of the design and operation of the RELAB bidirectional spectrometer is to obtain high precision, high spectral resolution, bidirectional reflectance spectra of earth and planetary materials. One of the key elements of its design is the ability to measure samples using viewing geometries specified by the user. This allows investigators to simulate, under laboratory conditions, reflectance spectra obtained remotely (i.e., with spaceborne, telescopic, and airborne systems) as well as to investigate geometry dependent reflectance properties of geologic materials. The Nicolet 740 FT-IR spectrometer currently operates in reflectance mode from 0.9 to 25 Fm. Use and scheduling of the RELAB is monitored by a 4-member advisory committee. NASA investigators should direct inquiries to the Science Manager or RELAB Operator.

Generalized theoretical method for the interaction between arbitrary nonuniform electric field and molecular vibrations: Toward near-field infrared spectroscopy and microscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Iwasa, Takeshi, E-mail: tiwasa@mail.sci.hokudai.ac.jp; Takenaka, Masato; Taketsugu, Tetsuya

A theoretical method to compute infrared absorption spectra when a molecule is interacting with an arbitrary nonuniform electric field such as near-fields is developed and numerically applied to simple model systems. The method is based on the multipolar Hamiltonian where the light-matter interaction is described by a spatial integral of the inner product of the molecular polarization and applied electric field. The computation scheme is developed under the harmonic approximation for the molecular vibrations and the framework of modern electronic structure calculations such as the density functional theory. Infrared reflection absorption and near-field infrared absorption are considered as model systems.more » The obtained IR spectra successfully reflect the spatial structure of the applied electric field and corresponding vibrational modes, demonstrating applicability of the present method to analyze modern nanovibrational spectroscopy using near-fields. The present method can use arbitral electric fields and thus can integrate two fields such as computational chemistry and electromagnetics.« less

Generalized theoretical method for the interaction between arbitrary nonuniform electric field and molecular vibrations: Toward near-field infrared spectroscopy and microscopy.

PubMed

Iwasa, Takeshi; Takenaka, Masato; Taketsugu, Tetsuya

2016-03-28

A theoretical method to compute infrared absorption spectra when a molecule is interacting with an arbitrary nonuniform electric field such as near-fields is developed and numerically applied to simple model systems. The method is based on the multipolar Hamiltonian where the light-matter interaction is described by a spatial integral of the inner product of the molecular polarization and applied electric field. The computation scheme is developed under the harmonic approximation for the molecular vibrations and the framework of modern electronic structure calculations such as the density functional theory. Infrared reflection absorption and near-field infrared absorption are considered as model systems. The obtained IR spectra successfully reflect the spatial structure of the applied electric field and corresponding vibrational modes, demonstrating applicability of the present method to analyze modern nanovibrational spectroscopy using near-fields. The present method can use arbitral electric fields and thus can integrate two fields such as computational chemistry and electromagnetics.

Laboratory Studies of Organic Compounds With Reflectance Spectroscopy

NASA Astrophysics Data System (ADS)

Curchin, J. M.; Clark, R. N.; Hoefen, T. M.

2007-12-01

In order to properly interpret reflectance spectra of any solar system surface from the earth to the Oort cloud, laboratory spectra of candidate materials for comparative analysis are needed. Although the common cosmochemical species (H2O, CO2, CO, NH3, and CH4) are well represented in the spectroscopic literature, comparatively little reflectance work has been done on organics from room to cryogenic temperatures at visible to near infrared wavelengths. Reflectance spectra not only enhance weak or unseen transmission features, they are also more analogous to spectra obtained by spacecraft that are imaging such bodies as giant planet moons, kuiper belt objects, centaurs, comets and asteroids, as well as remote sensing of the earth. The USGS Spectroscopy Laboratory is measuring reflectance spectra of organic compounds from room to cryogenic temperatures over the spectral range of 0.35 to 15.5 microns. This region encompasses the fundamental absorptions and many overtones and combinations of C, H, O, and N molecular bonds. Because most organic compounds belong to families whose members have similar structure and composition, individual species identification within a narrow wavelength range may be ambiguous. By measuring spectral reflectance of the pure laboratory samples from the visible through the near and mid-infrared, absorption bands unique to each can be observed, cataloged, and compared to planetary reflectance data. We present here spectra of organic compounds belonging to five families: the alkanes, alkenes, alkynes, aromatics, and cyanides. Common to all of these are the deep C-H stretch fundamental absorptions, which shift shortward from 3.35+ microns in alkanes to 3.25+ microns in aromatics, to 3.2+ microns in alkenes, and down to 3.0+ microns in alkynes. Mid-IR absorptions due to C-H bending deformations at 6.8+ and 7.2+ microns are also identified. In the near infrared these stretching and bending fundamentals yield a diagnostic set of combination absorptions at approximately 2.3 microns, as well as the first C-H stretching overtones at 1.6 to 1.7 microns, and even the second stretching overtones at 1.2+ microns. Additionally, the spectral properties of these organic materials have applications to remote sensing of terrestrial environments, including hazardous waste and disaster site characterization.

In Situ Infrared Spectroscopy of Oligoaniline Intermediates Created under Alkaline Conditions.

PubMed

Šeděnková, Ivana; Stejskal, Jaroslav; Trchová, Miroslava

2014-12-26

The progress of the oxidation of aniline with ammonium peroxydisulfate in an alkaline aqueous medium has been monitored in situ by attenuated total reflection (ATR) Fourier transform infrared spectroscopy. The growth of the microspheres and of the film at the ATR crystal surface, as well as the changes proceeding in the surrounding aqueous medium, are reflected in the spectra. The evolution of the spectra and the changes in the molecular structure occurring during aniline oxidation in alkaline medium are discussed with the help of differential spectra. Several processes connected with the various stages of aniline oxidation were distinguished. The progress of hydrolysis of the aniline in water and further an oxidation of aminophenol to benzoquinone imines in the presence of peroxydisulfate in alkaline medium have been detected in the spectra in real time. The precipitated solid oxidation product was analyzed by mass spectrometry. It is composed of oligomers, mainly trimers to octamers, of various molecular structures incorporating in addition to aniline constitutional units also p-benzoquinone or p-benzoquinoneimine moieties.

ChemCam passive reflectance spectroscopy of the Lubango, Okoruso, and Oudam drill targets in Gale Crater, Mars

NASA Astrophysics Data System (ADS)

Johnson, J. R.; Cloutis, E.; Fraeman, A.; Wiens, R. C.; Maurice, S.; Blaney, D. L.; Gasnault, O.

2016-12-01

The ChemCam laser-induced breakdown spectroscopy instrument on the MSL rover Curiosity was used in passive mode (without the laser) to obtain relative reflectance spectra (400-840 nm) of drill tailings and sieved dump piles associated with the targets Lubango, Okoruso, and Oudam between mission sols 1324-1369 near the base of Mt. Sharp. The Lubango and Okoruso drill holes were studied to compare the light-toned zones in the Stimson sandstone (Lubango; 61 wt % SiO2 from ChemCam LIBS data) with nearby unaltered materials (Okoruso; 42 wt % SiO2). Passive spectra of the Lubango tailings (derived from 1-2 cm near the surface) were 50% brighter than the sieved samples (obtained from >2 cm depths). All samples exhibited flat spectra with a slight decrease in reflectance toward the near-infrared. The presence of a weak band near 433 nm (from trace ferric materials such as ferric sulfate) was likely enhanced by the relatively transparent, silica-rich matrix. Lubango was spectrally similar to Greenhorn, another high-silica alteration zone observed in the Stimson unit (Sol 1139). Okoruso passive spectra exhibited flat but increasing reflectance towards the near-infrared with a minor downturn past 800 nm likely related to minor pyroxene. The spectra were darker than the Lubango sieved samples, with no evidence for a 433 nm band. They were similar to the spectra of Big Sky (the unaltered Stimson companion observation to Greenhorn). The Oudam drill tailings pile was observed at two locations: along its outer edge and at a more inward location. Both areas exhibited broad bands near 535 nm and 670 nm and a near-infrared dropoff consistent with hematite. Peak reflectances were near 785 nm for the edge sample but closer to 765 nm for the inner surface (similar to the hematite-bearing Confidence Hills sample from Sol 762). The difference likely results from the presence of other ferric materials in addition to hematite along the edge. This may indicate minor variations in oxidation state with depth in the drilled sampled.

Determination of protein concentration in raw milk by mid-infrared fourier transform infrared/attenuated total reflectance spectroscopy.

PubMed

Etzion, Y; Linker, R; Cogan, U; Shmulevich, I

2004-09-01

This study investigates the potential use of attenuated total reflectance spectroscopy in the mid-infrared range for determining protein concentration in raw cow milk. The determination of protein concentration is based on the characteristic absorbance of milk proteins, which includes 2 absorbance bands in the 1500 to 1700 cm(-1) range, known as the amide I and amide II bands, and absorbance in the 1060 to 1100 cm(-1) range, which is associated with phosphate groups covalently bound to casein proteins. To minimize the influence of the strong water band (centered around 1640 cm(-1)) that overlaps with the amide I and amide II bands, an optimized automatic procedure for accurate water subtraction was applied. Following water subtraction, the spectra were analyzed by 3 methods, namely simple band integration, partial least squares (PLS) and neural networks. For the neural network models, the spectra were first decomposed by principal component analysis (PCA), and the neural network inputs were the spectra principal components scores. In addition, the concentrations of 2 constituents expected to interact with the protein (i.e., fat and lactose) were also used as inputs. These approaches were tested with 235 spectra of standardized raw milk samples, corresponding to 26 protein concentrations in the 2.47 to 3.90% (weight per volume) range. The simple integration method led to very poor results, whereas PLS resulted in prediction errors of about 0.22% protein. The neural network approach led to prediction errors of 0.20% protein when based on PCA scores only, and 0.08% protein when lactose and fat concentrations were also included in the model. These results indicate the potential usefulness of Fourier transform infrared/attenuated total reflectance spectroscopy for rapid, possibly online, determination of protein concentration in raw milk.

Far-infrared BRDFs and reflectance spectra of candidate SOFIA telescope, cavity, and focal-plane instrument surfaces

NASA Astrophysics Data System (ADS)

Meyer, Allan W.; Smith, Sheldon M.; Koerber, Christopher T.

2000-06-01

The far-infrared reflectance and scattering properties of telescope surfaces, surrounding cavity walls, and surfaces within focal-plane instruments can be significant contributors to background noise. Radiation from sources well off-axis, such as the earth, moon or aircraft engines may be multiply scattered by the cavity walls and/or surface facets of a complex telescope structure. The Non-Specular Reflectometer at NASA Ames Research Center was reactivated and upgraded, and used to measure reflectance and Bi- directional Reflectance Distribution Functions for samples of planned telescope system structural materials and associated surface treatments.

Detection of lettuce discoloration using hyperspectral reflectance imaging

USDA-ARS?s Scientific Manuscript database

Rapid visible/near-infrared (VNIR) hyperspectral imaging methods, employing both a single waveband algorithm and multi-spectral algorithms, were developed in order to classify the discoloration of lettuce. Reflectance spectra for sound and discolored lettuce surfaces were extracted from hyperspectra...

Fourier transform infrared reflectance spectra of latent fingerprints: a biometric gauge for the age of an individual.

PubMed

Hemmila, April; McGill, Jim; Ritter, David

2008-03-01

To determine if changes in fingerprint infrared spectra linear with age can be found, partial least squares (PLS1) regression of 155 fingerprint infrared spectra against the person's age was constructed. The regression produced a linear model of age as a function of spectrum with a root mean square error of calibration of less than 4 years, showing an inflection at about 25 years of age. The spectral ranges emphasized by the regression do not correspond to the highest concentration constituents of the fingerprints. Separate linear regression models for old and young people can be constructed with even more statistical rigor. The success of the regression demonstrates that a combination of constituents can be found that changes linearly with age, with a significant shift around puberty.

Detection of starch adulteration in onion powder by FT-NIR and FT-IR spectroscopy

USDA-ARS?s Scientific Manuscript database

Adulteration of onion powder with cornstarch was identified by Fourier transform near-infrared (FT-NIR) and Fourier transform infrared (FT-IR) spectroscopy. The reflectance spectra of 180 pure and adulterated samples (1–35 wt% starch) were collected and preprocessed to generate calibration and predi...

Broadening of effective photonic band gaps in biological chiral structures: From intrinsic narrow band gaps to broad band reflection spectra

NASA Astrophysics Data System (ADS)

Vargas, W. E.; Hernández-Jiménez, M.; Libby, E.; Azofeifa, D. E.; Solis, Á.; Barboza-Aguilar, C.

2015-09-01

Under normal illumination with non-polarized light, reflection spectra of the cuticle of golden-like and red Chrysina aurigans scarabs show a structured broad band of left-handed circularly polarized light. The polarization of the reflected light is attributed to a Bouligand-type left-handed chiral structure found through the scarab's cuticle. By considering these twisted structures as one-dimensional photonic crystals, a novel approach is developed from the dispersion relation of circularly polarized electromagnetic waves traveling through chiral media, to show how the broad band characterizing these spectra arises from an intrinsic narrow photonic band gap whose spectral position moves through visible and near-infrared wavelengths.

A Novel Optical Diagnostic for In Situ Measurements of Lithium Polysulfides in Battery Electrolytes.

PubMed

Saqib, Najmus; Silva, Cody J; Maupin, C Mark; Porter, Jason M

2017-07-01

An optical diagnostic technique to determine the order and concentration of lithium polysulfides in lithium-sulfur (Li-S) battery electrolytes has been developed. One of the major challenges of lithium-sulfur batteries is the problem of polysulfide shuttling between the electrodes, which leads to self-discharge and loss of active material. Here we present an optical diagnostic for quantitative in situ measurements of lithium polysulfides using attenuated total reflection Fourier transform infrared (FT-IR) spectroscopy. Simulated infrared spectra of lithium polysulfide molecules were generated using computational quantum chemistry routines implemented in Gaussian 09. The theoretical spectra served as a starting point for experimental characterization of lithium polysulfide solutions synthesized by the direct reaction of lithium sulfide and sulfur. Attenuated total reflection FT-IR spectroscopy was used to measure absorption spectra. The lower limit of detection with this technique is 0.05 M. Measured spectra revealed trends with respect to polysulfide order and concentration, consistent with theoretical predictions, which were used to develop a set of equations relating the order and concentration of lithium polysulfides in a sample to the position and area of a characteristic infrared absorption band. The diagnostic routine can measure the order and concentration to within 5% and 0.1 M, respectively.

Inference of Surface Chemical and Physical Properties Using Mid-Infrared (MIR) Spectral Observations

NASA Technical Reports Server (NTRS)

Roush, Ted L.

2016-01-01

Reflected or emitted energy from solid surfaces in the solar system can provide insight into thermo-physical and chemical properties of the surface materials. Measurements have been obtained from instruments located on Earth-based telescopes and carried on several space missions. The characteristic spectral features commonly observed in Mid-Infrared (MIR) spectra of minerals will be reviewed, along with methods used for compositional interpretations of MIR emission spectra. The influence of surface grain size, and space weathering processes on MIR emissivity spectra will also be discussed. Methods used for estimating surface temperature, emissivity, and thermal inertias from MIR spectral observations will be reviewed.

Salts on Europa's surface detected by Galileo's near infrared mapping spectrometer. The NIMS Team.

PubMed

McCord, T B; Hansen, G B; Fanale, F P; Carlson, R W; Matson, D L; Johnson, T V; Smythe, W D; Crowley, J K; Martin, P D; Ocampo, A; Hibbitts, C A; Granahan, J C

1998-05-22

Reflectance spectra in the 1- to 2.5-micrometer wavelength region of the surface of Europa obtained by Galileo's Near Infrared Mapping Spectrometer exhibit distorted water absorption bands that indicate the presence of hydrated minerals. The laboratory spectra of hydrated salt minerals such as magnesium sulfates and sodium carbonates and mixtures of these minerals provide a close match to the Europa spectra. The distorted bands are only observed in the optically darker areas of Europa, including the lineaments, and may represent evaporite deposits formed by water, rich in dissolved salts, reaching the surface from a water-rich layer underlying an ice crust.

Salts on Europa's surface detected by Galileo's near infrared mapping spectrometer

USGS Publications Warehouse

McCord, T.B.; Hansen, G.B.; Fanale, F.P.; Carlson, R.W.; Matson, D.L.; Johnson, T.V.; Smythe, W.D.; Crowley, J.K.; Martin, P.D.; Ocampo, A.; Hibbitts, C.A.; Granahan, J.C.

1998-01-01

Reflectance spectra in the 1- to 2.5-micrometer wavelength region of the surface of Europa obtained by Galileo's Near Infrared Mapping Spectrometer exhibit distorted water absorption bands that indicate the presence of hydrated minerals. The laboratory spectra of hydrated salt minerals such as magnesium sulfates and sodium carbonates and mixtures of these minerals provide a close match to the Europa spectra. The distorted bands are only observed in the optically darker areas of Europa, including the lineaments, and may represent evaporite deposits formed by water, rich in dissolved salts, reaching the surface from a water-rich layer underlying an ice crust.

Diffuse Reflectance Spectroscopy of Hidden Objects, Part I: Interpretation of the Reflection-Absorption-Scattering Fractions in Near-Infrared (NIR) Spectra of Polyethylene Films.

PubMed

Pomerantsev, Alexey L; Rodionova, Oxana Ye; Skvortsov, Alexej N

2017-08-01

Investigation of a sample covered by an interfering layer is required in many fields, e.g., for process control, biochemical analysis, and many other applications. This study is based on the analysis of spectra collected by near-infrared (NIR) diffuse reflectance spectroscopy. Each spectrum is a composition of a useful, target spectrum and a spectrum of an interfering layer. To recover the target spectrum, we suggest using a new phenomenological approach, which employs the multivariate curve resolution (MCR) method. In general terms, the problem is very complex. We start with a specific problem of analyzing a system, which consists of several layers of polyethylene (PE) film and underlayer samples with known spectral properties. To separate information originating from PE layers and the target, we modify the system versus both the number of the PE layers as well as the reflectance properties of the target sample. We consider that the interfering spectrum of the layer can be modeled using three components, which can be tentatively called transmission, absorption, and scattering contributions. The novelty of our approach is that we do not remove the reflectance and scattering effects from the spectra, but study them in detail aiming to use this information to recover the target spectrum.

Multivariate Curve Resolution Applied to Infrared Reflection Measurements of Soil Contaminated with an Organophosphorus Analyte

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gallagher, Neal B.; Blake, Thomas A.; Gassman, Paul L.

2006-07-01

Multivariate curve resolution (MCR) is a powerful technique for extracting chemical information from measured spectra on complex mixtures. The difficulty with applying MCR to soil reflectance measurements is that light scattering artifacts can contribute much more variance to the measurements than the analyte(s) of interest. Two methods were integrated into a MCR decomposition to account for light scattering effects. Firstly, an extended mixture model using pure analyte spectra augmented with scattering ‘spectra’ was used for the measured spectra. And secondly, second derivative preprocessed spectra, which have higher selectivity than the unprocessed spectra, were included in a second block as amore » part of the decomposition. The conventional alternating least squares (ALS) algorithm was modified to simultaneously decompose the measured and second derivative spectra in a two-block decomposition. Equality constraints were also included to incorporate information about sampling conditions. The result was an MCR decomposition that provided interpretable spectra from soil reflectance measurements.« less

Classification of Fusarium-Infected Korean Hulled Barley Using Near-Infrared Reflectance Spectroscopy and Partial Least Squares Discriminant Analysis

PubMed Central

Lim, Jongguk; Kim, Giyoung; Mo, Changyeun; Oh, Kyoungmin; Yoo, Hyeonchae; Ham, Hyeonheui; Kim, Moon S.

2017-01-01

The purpose of this study is to use near-infrared reflectance (NIR) spectroscopy equipment to nondestructively and rapidly discriminate Fusarium-infected hulled barley. Both normal hulled barley and Fusarium-infected hulled barley were scanned by using a NIR spectrometer with a wavelength range of 1175 to 2170 nm. Multiple mathematical pretreatments were applied to the reflectance spectra obtained for Fusarium discrimination and the multivariate analysis method of partial least squares discriminant analysis (PLS-DA) was used for discriminant prediction. The PLS-DA prediction model developed by applying the second-order derivative pretreatment to the reflectance spectra obtained from the side of hulled barley without crease achieved 100% accuracy in discriminating the normal hulled barley and the Fusarium-infected hulled barley. These results demonstrated the feasibility of rapid discrimination of the Fusarium-infected hulled barley by combining multivariate analysis with the NIR spectroscopic technique, which is utilized as a nondestructive detection method. PMID:28974012

Construction of Models for Nondestructive Prediction of Ingredient Contents in Blueberries by Near-infrared Spectroscopy Based on HPLC Measurements.

PubMed

Bai, Wenming; Yoshimura, Norio; Takayanagi, Masao; Che, Jingai; Horiuchi, Naomi; Ogiwara, Isao

2016-06-28

Nondestructive prediction of ingredient contents of farm products is useful to ship and sell the products with guaranteed qualities. Here, near-infrared spectroscopy is used to predict nondestructively total sugar, total organic acid, and total anthocyanin content in each blueberry. The technique is expected to enable the selection of only delicious blueberries from all harvested ones. The near-infrared absorption spectra of blueberries are measured with the diffuse reflectance mode at the positions not on the calyx. The ingredient contents of a blueberry determined by high-performance liquid chromatography are used to construct models to predict the ingredient contents from observed spectra. Partial least squares regression is used for the construction of the models. It is necessary to properly select the pretreatments for the observed spectra and the wavelength regions of the spectra used for analyses. Validations are necessary for the constructed models to confirm that the ingredient contents are predicted with practical accuracies. Here we present a protocol to construct and validate the models for nondestructive prediction of ingredient contents in blueberries by near-infrared spectroscopy.

Reflectance spectroscopy of ferric sulfate-bearing montmorillonites as Mars soil analog materials

NASA Technical Reports Server (NTRS)

Bishop, J. L.; Pieters, C. M.; Burns, R. G.; Edwards, J. O.; Mancinelli, R. L.; Froschl, H.

1995-01-01

Spectroscopic analyses have shown that smectites enhanced in the laboratory with additional ferric species exhibit important similarities to those of the soils on Mars. Ferrihydrite in these chemically treated smectites has features in the visible to near-infrared region that resemble the energies and band strengths of features in reflectance spectra observed for several bright regions on Mars. New samples have been prepared with sulfate as well, because S was found by Viking to be a major component in the surface material on Mars. A suite of ferrihydrite-bearing and ferric sulfate-bearing montmorillonites, prepared with variable Fe3+ and S concentrations and variable pH conditions, has been analyzed using reflectance spectroscopy in the visible and infrared regions, Mossbauer spectroscopy at room temperature and 4 K, differential thermal analysis, and X-ray diffraction. These analyses support the formation of ferrihydrite of variable crystallinity in the ferrihydrite-bearing montmorillonites and a combination of schwertmannite and ferrihydrite in the ferric sulfate-bearing montmorillonites. Small quantities of poorly crystalline or nanophase forms of other ferric materials may also be present in these samples. The chemical formation conditions of the ferrihydrite-bearing and ferric sulfate-bearing montmorillonites influence the character of the low temperature Mossbauer sextets and the visible reflectance spectra. An absorption minimum is observed at 0.88-0.89 micrometers in spectra of the ferric sulfate-bearing samples, and at 0.89-0.92 micrometers in spectra of the ferrihydrate-bearing montmorillonites. Mossbauer spectra of the ferric sulfate-bearing montmorillonites indicate variable concentrations of ferrihydrite and schwertmannite in the interlaminar spaces and along grain surfaces. Dehydration under reduced atmospheric pressure conditions induces a greater effect on the adsorbed and interlayer water in ferrihydrite-bearing montmorillonite than on the water in ferric sulfate-bearing montmorillonite. Reflectance spectra of ferric sulfate-bearing montmorillonite include a strong 3-micrometers band that is more resistant to dry atmospheric conditions than the 3-micrometers band in spectra of similarly prepared ferrihydrite-bearing montmorillonites.

Soil emissivity and reflectance spectra measurements

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sobrino, Jose A.; Mattar, Cristian; Pardo, Pablo

We present an analysis of the laboratory reflectance and emissivity spectra of 11 soil samples collected on different field campaigns carried out over a diverse suite of test sites in Europe, North Africa, and South America from 2002 to 2008. Hemispherical reflectance spectra were measured from 2.0 to 14 {mu}m with a Fourier transform infrared spectrometer, and x-ray diffraction analysis (XRD) was used to determine the mineralogical phases of the soil samples. Emissivity spectra were obtained from the hemispherical reflectance measurements using Kirchhoff's law and compared with in situ radiance measurements obtained with a CIMEL Electronique CE312-2 thermal radiometer andmore » converted to emissivity using the Advanced Spaceborne Thermal Emission and Reflection Radiometer (ASTER) temperature and emissivity separation algorithm. The CIMEL has five narrow bands at approximately the same positions as the ASTER. Results show a root mean square error typically below 0.015 between laboratory emissivity measurements and emissivity measurements derived from the field radiometer.« less

THE INFRARED SPECTRUM OF PROTONATED OVALENE IN SOLID PARA-HYDROGEN AND ITS POSSIBLE CONTRIBUTION TO INTERSTELLAR UNIDENTIFIED INFRARED EMISSION

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tsuge, Masashi; Bahou, Mohammed; Lee, Yuan-Pern

The mid-infrared emission from galactic objects, including reflection nebulae, planetary nebulae, proto-planetary nebulae, molecular clouds, etc, as well as external galaxies, is dominated by the unidentified infrared (UIR) emission bands. Large protonated polycyclic aromatic hydrocarbons (H{sup +}PAHs) were proposed as possible carriers, but no spectrum of an H{sup +}PAH has been shown to exactly match the UIR bands. Here, we report the IR spectrum of protonated ovalene (7-C{sub 32}H{sub 15} {sup +}) measured in a para -hydrogen ( p -H{sub 2}) matrix at 3.2 K, generated by bombarding a mixture of ovalene and p -H{sub 2} with electrons during matrixmore » deposition. Spectral assignments were made based on the expected chemistry and on the spectra simulated with the wavenumbers and infrared intensities predicted with the B3PW91/6-311++G(2d,2p) method. The close resemblance of the observed spectral pattern to that of the UIR bands suggests that protonated ovalene may contribute to the UIR emission, particularly from objects that emit Class A spectra, such as the IRIS reflection nebula, NGC 7023.« less

ATR-FTIR Spectroscopy in the Undergraduate Chemistry Laboratory: Part I--Fundamentals and Examples

ERIC Educational Resources Information Center

Schuttlefield, Jennifer D.; Grassian, Vicki H.

2008-01-01

Attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy is a useful technique for measuring the infrared spectra of solids and liquids as well as probing adsorption on particle surfaces. Several examples of the use of FTIR-ATR spectroscopy in different undergraduate chemistry laboratory courses are presented here. These…

Using mid-Infrared External Reflectance Spectroscopy to Distinguish Between Different Commercially Produced Poly[Methyl MethAcrylate] (PMMA) Samples - A Null Result

NASA Astrophysics Data System (ADS)

Fajardo, Mario; Neel, Christopher; Lacina, David

2017-06-01

We report (null) results of experiments testing the hypothesis that mid-infrared (mid-IR) spectroscopy can be used to distinguish samples of poly[methyl methacrylate] (PMMA) obtained from different commercial suppliers. This work was motivated by the desire for a simple non-destructive and non-invasive test for pre-sorting PMMA samples prior to use in shock and high-strain-rate experiments, where PMMA is commonly used as a standard material. We discuss: our choice of mid-IR external reflectance spectroscopy, our approach to recording reflectance spectra at near-normal (θ = 0 + / - 5 degree) incidence and for extracting the wavelength-weighted absorption spectrum from the raw reflectance data via a Kramers-Krönig analysis. We employ extensive signal, which necessitates adopting a special experimental protocol to mitigate the effects of instrumental drift. Finally, we report spectra of three PMMA samples with different commercial pedigrees, and show that they are virtually identical (+ / - 1 % error, 95% confidence); obviating the use of mid-IR reflectance spectroscopy to tell the samples apart.

Laboratory upwelled radiance and reflectance spectra of Kerr reservoir sediment waters

NASA Technical Reports Server (NTRS)

Witte, W. G.; Whitlock, C. H.; Morris, W. D.; Gurganus, E. A.

1982-01-01

Reflectance, chromaticity, and several other physical and chemical properties were measured for various water mixtures of bottom sediments taken from two sites at Kerr Reservoir, Virginia. Mixture concentrations ranged from 5 to 1000 ppm by weight of total suspended solids (TSS) in filtered deionized tap water. The two sets of radiance and reflectance spectra obtained were similar in shape and magnitude for comparable values of TSS. Upwelled reflectance was observed to be a nonlinear function of TSS with the degree of curvature a function of wavelength. Sediment from the downstream site contained a greater amount of particulate organic carbon than from the upstream site. No strong conclusions can be made regarding the effects of this difference on the radiance and reflectance spectra. Near-infrared wavelengths appear useful for measuring highly turbid water with concentrations up to 1000 ppm or more. Chromaticity characteristics do not appear useful for monitoring sediment loads above 150 ppm.

Influence of a fat layer on the near infrared spectra of human muscle: quantitative analysis based on two-layered Monte Carlo simulations and phantom experiments

NASA Technical Reports Server (NTRS)

Yang, Ye; Soyemi, Olusola O.; Landry, Michelle R.; Soller, Babs R.

2005-01-01

The influence of fat thickness on the diffuse reflectance spectra of muscle in the near infrared (NIR) region is studied by Monte Carlo simulations of a two-layer structure and with phantom experiments. A polynomial relationship was established between the fat thickness and the detected diffuse reflectance. The influence of a range of optical coefficients (absorption and reduced scattering) for fat and muscle over the known range of human physiological values was also investigated. Subject-to-subject variation in the fat optical coefficients and thickness can be ignored if the fat thickness is less than 5 mm. A method was proposed to correct the fat thickness influence. c2005 Optical Society of America.

Spatial variability in the seasonal south polar CAP of Mars

NASA Astrophysics Data System (ADS)

Calvin, Wendy M.; Martin, Terry Z.

1994-10-01

The first comprehensive discussion of the south seasonal polar cap spectra obtained by the Mariner 7 infrared spectrometer in the short-wavelength region (2-4 microns) is presented. The infrared spectra is correlated with images acquired by the wide-angle camera. Significant spectral variation is noted in the cap interior and regions of varying water frost abundance, CO2 ice/frost cover, and CO2-ice path length can be distinguished. Many of these spectral variations correlate with heterogeneity noted in the camera images, but certain significant infrared spectral variations are not discernible in the visible. Simple reflectance models are used to classify the observed spectral variations into four regions. Region I is at the cap edge, where there is enhanced absorption beyond 3 microns inferred to be caused by an increased abundance of water frost. The increase in water abundance over that in the interior is on the level of a few parts per thousand or less. Region II is the typical cap interior characterized by spectral features of CO2 ice at grain sizes of several millimeters to centimeters. These spectra also indicate the presence of water frost at the parts per thousand level. A third, unusual region (III), is defined by three spectra in which weak CO2 absorption features are as much as twice as strong as in the average cap spectra and are assumed to be caused by an increased path length in the CO2. Such large paths are inconsistent with the high reflectance in the visible and at 2.2 microns and suggest layered structures or deposition conditions that are not accounted for in current reflectance models. The final region (IV) is an area of thinning frost coverage or transparent ice well in the interior of the seasonal cap. These spectra are a combination of CO2 and ground signatures.

Spatial variability in the seasonal south polar cap of Mars

NASA Technical Reports Server (NTRS)

Calvin, Wendy M.; Martin, Terry Z.

1994-01-01

The first comprehensive discussion of the south seasonal polar cap spectra obtained by the Mariner 7 infrared spectrometer in the short-wavelength region (2-4 microns) is presented. The infrared spectra is correlated with images acquired by the wide-angle camera. Significant spectral variation is noted in the cap interior and regions of varying water frost abundance, CO2 ice/frost cover, and CO2-ice path length can be distinguished. Many of these spectral variations correlate with heterogeneity noted in the camera images, but certain significant infrared spectral variations are not discernible in the visible. Simple reflectance models are used to classify the observed spectral variations into four regions. Region I is at the cap edge, where there is enhanced absorption beyond 3 microns inferred to be caused by an increased abundance of water frost. The increase in water abundance over that in the interior is on the level of a few parts per thousand or less. Region II is the typical cap interior characterized by spectral features of CO2 ice at grain sizes of several millimeters to centimeters. These spectra also indicate the presence of water frost at the parts per thousand level. A third, unusual region (III), is defined by three spectra in which weak CO2 absorption features are as much as twice as strong as in the average cap spectra and are assumed to be caused by an increased path length in the CO2. Such large paths are inconsistent with the high reflectance in the visible and at 2.2 microns and suggest layered structures or deposition conditions that are not accounted for in current reflectance models. The final region (IV) is an area of thinning frost coverage or transparent ice well in the interior of the seasonal cap. These spectra are a combination of CO2 and ground signatures.

[Identification of special quality eggs with NIR spectroscopy technology based on symbol entropy feature extraction method].

PubMed

Zhao, Yong; Hong, Wen-Xue

2011-11-01

Fast, nondestructive and accurate identification of special quality eggs is an urgent problem. The present paper proposed a new feature extraction method based on symbol entropy to identify near infrared spectroscopy of special quality eggs. The authors selected normal eggs, free range eggs, selenium-enriched eggs and zinc-enriched eggs as research objects and measured the near-infrared diffuse reflectance spectra in the range of 12 000-4 000 cm(-1). Raw spectra were symbolically represented with aggregation approximation algorithm and symbolic entropy was extracted as feature vector. An error-correcting output codes multiclass support vector machine classifier was designed to identify the spectrum. Symbolic entropy feature is robust when parameter changed and the highest recognition rate reaches up to 100%. The results show that the identification method of special quality eggs using near-infrared is feasible and the symbol entropy can be used as a new feature extraction method of near-infrared spectra.

NIR detection of pits and pit fragments in fresh cherries (abstract)

USDA-ARS?s Scientific Manuscript database

The feasibility of using near infrared (NIR) diffuse reflectance spectroscopy for the detection of pits and pit fragments in cherries was demonstrated. For detection of whole pits, 300 cherries were obtained locally and pits were removed from half. NIR reflectance spectra were obtained in triplicate...

Photovoltaics module interface: General purpose primers

NASA Technical Reports Server (NTRS)

Boerio, J.

1985-01-01

The interfacial chemistry established between ethylene vinyl acetate (EVA) and the aluminized back surface of commercial solar cells was observed experimentally. The technique employed is called Fourier Transform Infrared (FTIR) spectroscopy, with the infrared signal being reflected back from the aluminum surface through the EVA film. Reflection infrared (IR) spectra are given and attention is drawn to the specific IR peak at 1080/cm which forms on hydrolytic aging of the EVA/aluminum system. With this fundamental finding, and the workable experimental techniques, candidate silane coupling agents are employed at the interface, and their effects on eliminating or slowing hydrolytic aging of the EVA/aluminum interface are monitored.

Innovative FT-IR imaging of protein film secondary structure before and after heat treatment.

PubMed

Bonwell, Emily S; Wetzel, David L

2009-11-11

Changes in the secondary structure of globular protein occur during thermal processing. An infrared reflecting mirrored optical substrate that is unaffected by heat allows recording infrared spectra of protein films in a reflection absorption mode on the stage of an FT-IR microspectrometer. Hydrated films of myoglobin protein cast from solution on the mirrored substrate are interrogated before and after thermal denaturation to allow a direct comparison. Focal plane array imaging of 280 protein films allowed selection of the same area in the image from which to extract spectra. After treatment, 110 of 140 spectra from multiple films showed a dramatic shift from the alpha-helix form (1650 +/- 5 cm(-1)) to aggregated forms on either side of the original band. Seventy maxima were near 1625 cm(-1), and 40 shifted in the direction of 1670 cm(-1). The method developed was applied to films cast from two other commercial animal and plant protein sources.

Airborne hyperspectral sensor radiometric self-calibration using near-infrared properties of deep water and vegetation

NASA Astrophysics Data System (ADS)

Barbieux, Kévin; Nouchi, Vincent; Merminod, Bertrand

2016-10-01

Retrieving the water-leaving reflectance from airborne hyperspectral data implies to deal with three steps. Firstly, the radiance recorded by an airborne sensor comes from several sources: the real radiance of the object, the atmospheric scattering, sky and sun glint and the dark current of the sensor. Secondly, the dispersive element inside the sensor (usually a diffraction grating or a prism) could move during the flight, thus shifting the observed spectra on the wavelengths axis. Thirdly, to compute the reflectance, it is necessary to estimate, for each band, what value of irradiance corresponds to a 100% reflectance. We present here our calibration method, relying on the absorption features of the atmosphere and the near-infrared properties of common materials. By choosing proper flight height and flight lines angle, we can ignore atmospheric and sun glint contributions. Autocorrelation plots allow to identify and reduce the noise in our signals. Then, we compute a signal that represents the high frequencies of the spectrum, to localize the atmospheric absorption peaks (mainly the dioxygen peak around 760 nm). Matching these peaks removes the shift induced by the moving dispersive element. Finally, we use the signal collected over a Lambertian, unit-reflectance surface to estimate the ratio of the system's transmittances to its near-infrared transmittance. This transmittance is computed assuming an average 50% reflectance of the vegetation and nearly 0% for water in the near-infrared. Results show great correlation between the output spectra and ground measurements from a TriOS Ramses and the water-insight WISP-3.

Final Technical Report - Polymeric Multilayer Infrared Reflecting Mirrors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Reed, John

2016-09-16

The goal of this project was to develop a clear, polymeric, multilayer film with an expanded infrared (IR) reflection band which would allow improved rejection of incident IR energy. The IR reflection band is covering the region from about 850 nm to 1830 nm. This film is essentially clear and colorless in the visible portion of the electromagnetic spectra (visible light transmission of about 89%) while reflecting 90-95% of the IR energy over the portion of the spectra indicated above. This film has a nominal thickness of 3 mils, is polymeric in nature (contains no metals, metal oxides, or othermore » material types) and is essentially clear in appearance This film can then be used as a component of other products such as a solar window film, an IR reflecting interlayer for laminated glass, a heat rejecting skylight film, a base film for daylight redirecting products, a greenhouse film, and many more applications. One of the main strengths of this product is that because it is a standalone IR rejecting film, it can be incorporated and retrofitted into many applications that desire or require the transmission of visible light, but want to block other portions of the solar spectra, especially the IR portion. Many of the applications exist in the window glazing product area where this film can provide for substantial energy improvements in applications where visible light is desired.« less

Spectrophotometer-Integrating-Sphere System for Computing Solar Absorptance

NASA Technical Reports Server (NTRS)

Witte, William G., Jr.; Slemp, Wayne S.; Perry, John E., Jr.

1991-01-01

A commercially available ultraviolet, visible, near-infrared spectrophotometer was modified to utilize an 8-inch-diameter modified Edwards-type integrated sphere. Software was written so that the reflectance spectra could be used to obtain solar absorptance values of 1-inch-diameter specimens. A descriptions of the system, spectral reflectance, and software for calculation of solar absorptance from reflectance data are presented.

Quantitative Reflectance Spectra of Solid Powders as a Function of Particle Size

DOE PAGES

Myers, Tanya L.; Brauer, Carolyn S.; Su, Yin-Fong; ...

2015-05-19

We have recently developed vetted methods for obtaining quantitative infrared directional-hemispherical reflectance spectra using a commercial integrating sphere. In this paper, the effects of particle size on the spectral properties are analyzed for several samples such as ammonium sulfate, calcium carbonate, and sodium sulfate as well as one organic compound, lactose. We prepared multiple size fractions for each sample and confirmed the mean sizes using optical microscopy. Most species displayed a wide range of spectral behavior depending on the mean particle size. General trends of reflectance vs. particle size are observed such as increased albedo for smaller particles: for mostmore » wavelengths, the reflectivity drops with increased size, sometimes displaying a factor of 4 or more drop in reflectivity along with a loss of spectral contrast. In the longwave infrared, several species with symmetric anions or cations exhibited reststrahlen features whose amplitude was nearly invariant with particle size, at least for intermediate- and large-sized sample fractions; that is, > ~150 microns. Trends of other types of bands (Christiansen minima, transparency features) are also investigated as well as quantitative analysis of the observed relationship between reflectance vs. particle diameter.« less

Quantitative Reflectance Spectra of Solid Powders as a Function of Particle Size

DOE Office of Scientific and Technical Information (OSTI.GOV)

Myers, Tanya L.; Brauer, Carolyn S.; Su, Yin-Fong

We have recently developed vetted methods for obtaining quantitative infrared directional-hemispherical reflectance spectra using a commercial integrating sphere. In this paper, the effects of particle size on the spectral properties are analyzed for several samples such as ammonium sulfate, calcium carbonate, and sodium sulfate as well as one organic compound, lactose. We prepared multiple size fractions for each sample and confirmed the mean sizes using optical microscopy. Most species displayed a wide range of spectral behavior depending on the mean particle size. General trends of reflectance vs. particle size are observed such as increased albedo for smaller particles: for mostmore » wavelengths, the reflectivity drops with increased size, sometimes displaying a factor of 4 or more drop in reflectivity along with a loss of spectral contrast. In the longwave infrared, several species with symmetric anions or cations exhibited reststrahlen features whose amplitude was nearly invariant with particle size, at least for intermediate- and large-sized sample fractions; that is, > ~150 microns. Trends of other types of bands (Christiansen minima, transparency features) are also investigated as well as quantitative analysis of the observed relationship between reflectance vs. particle diameter.« less

Validation of Airborne Visible-Infrared Imaging Spectrometer Data at Ray Mine, AZ

NASA Technical Reports Server (NTRS)

Lang, H.; Baloga, S.

1999-01-01

We validate 1997 Airborne Visible-Infrared Imaging Spectrometer (AVIRIS) reflectance spectra covering 0.4 meu - 2.4 meu from a stable, flat mineralogically characterized man-made target at Ray Mine, AZ, the site for an EPA/NASA assessment of the utility of remote sensing for monitoring acid drainage from an active open pit mine.

Measurement of the infrared optical constants for spectral modeling: n and k values for (NH4)2SO4 via single-angle reflectance and ellipsometric methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Blake, Thomas A.; Brauer, Carolyn S.; Kelly-Gorham, Molly Rose K.

The optical constants n and k can be used to model infrared spectra, including refraction, absorption, reflectance, and emissivity, but obtaining reliable values for solid materials (pure or otherwise) presents a challenge: In the past, the best results for n and k have been obtained from bulk, homogeneous materials, free of defects. That is, materials where the Fresnel equations are operant since there is no light scattering. Since it is often not possible to obtain a pure macroscopic (crystalline) material, it may be possible to press the material into a (uniform, void-free) disk. We have recently been able to domore » this with ammonium sulfate powder and then measured the n & k values via two independent methods: 1) Ellipsometry - which measures the changes in amplitude and phase of light reflected from the material of interest as a function of wavelength and angle of incidence, and 2) Single angle specular reflectance with an FT spectrometer using a specular reflectance device within an FT instrument which measures the change in amplitude of light reflected from the material of interest as a function of wavelength and angle of incidence over a wide wavelength range. The quality of the derived n & k values was tested by generating the reflectance spectra of the pellet and comparing to the calculated to measured reflectance spectra of the pure material which has been previously published. The comparison to literature values showed good accuracy and good agreement, indicating promise to measure other materials by such methods.« less

Reflectance and Mossbauer spectroscopy of ferrihydrite-montmorillonite assemblages as Mars soil analog materials

NASA Technical Reports Server (NTRS)

Bishop, J. L.; Pieters, C. M.; Burns, R. G.; Chang, S. (Principal Investigator)

1993-01-01

Spectroscopic analyses show that Fe(3+)-doped smectites prepared in the laboratory exhibit important similarities to the soils on Mars. Ferrihydrite has been identified as the interlayer ferric component in Fe(3+)-doped smectites by a low quadrupole splitting and magnetic field strength of approximately 48 tesla in Mossbauer spectra measured at 4.2 K, as well as a crystal field transition at 0.92 micrometer. Ferrihydrite in these smectites explains features in the visible-near infrared region that resemble the energies and band strengths of features in reflectance spectra observed for several bright regions on Mars. Clay silicates have met resistance in the past as Mars soil analogs because terrestrial clay silicates exhibit prominent hydrous spectral features at 1.4, 1.9, and 2.2 micrometers; and these are observed weakly, if at all, in reflectance spectra of Mars. However, several mechanisms can weaken or compress these features, including desiccation under low-humidity conditions. The hydration properties of the interlayer cations also effect band strengths, such that a ferrihydrite-bearing smectite in the Martian environment would exhibit a 1.9 micrometers H2O absorption that is even weaker than the 2.2 micrometers structural OH absorption. Mixing experiments demonstrate that infrared spectral features of clays can be significantly suppressed and that the reflectance can be significantly darkened by mixing with only a few percent of a strongly absorbing opaque material. Therefore, the absolute reflectance of a soil on Mars may be disproportionately sensitive to a minor component. For this reason, the shape and position of spectral features and the chemical composition of potential analogs are of utmost importance in assessing the composition of the soil on Mars. Given the remarkable similarity between visible-infrared reflectance spectra of soils in bright regions on Mars and Fe(3+)-doped montmorillonites, coupled with recent observations of smectites in SNC meteorites and a weak 2.2 micrometers absorption in some Mars soils, ferrihydrite-bearing smectites warrant serious consideration as a Mars soil analog.

Reflectance spectroscopy (0.35-8 μm) of ammonium-bearing minerals and qualitative comparison to Ceres-like asteroids

NASA Astrophysics Data System (ADS)

Berg, Breanne L.; Cloutis, Edward A.; Beck, Pierre; Vernazza, Pierre; Bishop, Janice L.; Takir, Driss; Reddy, Vishnu; Applin, Daniel; Mann, Paul

2016-02-01

Ammonium-bearing minerals have been suggested to be present on Mars, Ceres, and various asteroids and comets. We undertook a systematic study of the spectral reflectance properties of ammonium-bearing minerals and compounds that have possible planetary relevance (i.e., ammonium carbonates, chlorides, nitrates, oxalates, phosphates, silicates, and sulfates). Various synthetic and natural NH4+-bearing minerals were analyzed using reflectance spectroscopy in the long-wave ultraviolet, visible, near-infrared, and mid-infrared regions (0.35-8 μm) in order to identify spectral features characteristic of the NH4+ molecule, and to evaluate if and how these features vary among different species. Mineral phases were confirmed through structural and compositional analyses using X-ray diffraction, X-ray fluorescence, and elemental combustion analysis. Characteristic absorption features associated with NH4 can be seen in the reflectance spectra at wavelengths as short as ∼1 μm. In the near-infrared region, the most prominent absorption bands are located near 1.6, 2.0, and 2.2 μm. Absorption features characteristic of NH4+ occurred at slightly longer wavelengths in the mineral-bound NH4+ spectra than for free NH4+ for most of the samples. Differences in wavelength position are attributable to various factors, including differences in the type and polarizability of the anion(s) attached to the NH4+, degree and type of hydrogen bonding, molecule symmetry, and cation substitutions. Multiple absorption features, usually three absorption bands, in the mid-infrared region between ∼2.8 and 3.8 μm were seen in all but the most NH4-poor sample spectra, and are attributed to fundamentals, combinations, and overtones of stretching and bending vibrations of the NH4+ molecule. These features appear even in reflectance spectra of water-rich samples which exhibit a strong 3 μm region water absorption feature. While many of the samples examined in this study have NH4 absorption bands at unique wavelength positions, in order to discriminate between different NH4+-bearing phases, absorption features corresponding to molecules other than NH4+ should be included in spectral analysis. A qualitative comparison of the laboratory results to telescopic spectra of Asteroids 1 Ceres, 10 Hygiea, and 324 Bamberga for the 3 μm region demonstrates that a number of NH4-bearing phases are consistent with the observational data in terms of exhibiting an absorption band in the 3.07 μm region.

Reflectance spectroscopy (0.35–8 μm) of ammonium-bearing minerals and qualitative comparison to Ceres-like asteroids

USGS Publications Warehouse

Berg, Breanne L.; Cloutis, Edward A.; Beck, P.; Vernazza, P.; Bishop, Janice L; Takir, Driss; Reddy, V.; Applin, D.; Mann, Paul

2016-01-01

Ammonium-bearing minerals have been suggested to be present on Mars, Ceres, and various asteroids and comets. We undertook a systematic study of the spectral reflectance properties of ammonium-bearing minerals and compounds that have possible planetary relevance (i.e., ammonium carbonates, chlorides, nitrates, oxalates, phosphates, silicates, and sulfates). Various synthetic and natural NH4+-bearing minerals were analyzed using reflectance spectroscopy in the long-wave ultraviolet, visible, near-infrared, and mid-infrared regions (0.35–8 μm) in order to identify spectral features characteristic of the NH4+ molecule, and to evaluate if and how these features vary among different species. Mineral phases were confirmed through structural and compositional analyses using X-ray diffraction, X-ray fluorescence, and elemental combustion analysis. Characteristic absorption features associated with NH4 can be seen in the reflectance spectra at wavelengths as short as ∼1 μm. In the near-infrared region, the most prominent absorption bands are located near 1.6, 2.0, and 2.2 μm. Absorption features characteristic of NH4+ occurred at slightly longer wavelengths in the mineral-bound NH4+ spectra than for free NH4+ for most of the samples. Differences in wavelength position are attributable to various factors, including differences in the type and polarizability of the anion(s) attached to the NH4+, degree and type of hydrogen bonding, molecule symmetry, and cation substitutions. Multiple absorption features, usually three absorption bands, in the mid-infrared region between ∼2.8 and 3.8 μm were seen in all but the most NH4-poor sample spectra, and are attributed to fundamentals, combinations, and overtones of stretching and bending vibrations of the NH4+ molecule. These features appear even in reflectance spectra of water-rich samples which exhibit a strong 3 μm region water absorption feature. While many of the samples examined in this study have NH4 absorption bands at unique wavelength positions, in order to discriminate between different NH4+-bearing phases, absorption features corresponding to molecules other than NH4+ should be included in spectral analysis. A qualitative comparison of the laboratory results to telescopic spectra of Asteroids 1 Ceres, 10 Hygiea, and 324 Bamberga for the 3 μm region demonstrates that a number of NH4-bearing phases are consistent with the observational data in terms of exhibiting an absorption band in the 3.07 μm region.

ISO Mid-Infrared Spectra of Reflection Nebulae

NASA Technical Reports Server (NTRS)

Werner, M.; Uchida, K.; Sellgren, K.; Houdashelt, M.

1999-01-01

Our goal is to test predictions of models attributing the IEFs to polycyclic aromatic hydrocarbons (PAHs). Interstellar models predict PAHs change from singly ionized to neutral as the UV intensity, Go, decreases.

Standoff Mid-Infrared Emissive Imaging Spectroscopy for Identification and Mapping of Materials in Polychrome Objects.

PubMed

Gabrieli, Francesca; Dooley, Kathryn A; Zeibel, Jason G; Howe, James D; Delaney, John K

2018-06-18

Microscale mid-infrared (mid-IR) imaging spectroscopy is used for the mapping of chemical functional groups. The extension to macroscale imaging requires that either the mid-IR radiation reflected off or that emitted by the object be greater than the radiation from the thermal background. Reflectance spectra can be obtained using an active IR source to increase the amount of radiation reflected off the object, but rapid heating of greater than 4 °C can occur, which is a problem for paintings. Rather than using an active source, by placing a highly reflective tube between the painting and camera and introducing a low temperature source, thermal radiation from the room can be reduced, allowing the IR radiation emitted by the painting to dominate. Thus, emissivity spectra of the object can be recovered. Using this technique, mid-IR emissivity image cubes of paintings were collected at high collection rates with a low-noise, line-scanning imaging spectrometer, which allowed pigments and paint binders to be identified and mapped. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Examination of U valence states in the brannerite structure by near-infrared diffuse reflectance and X-ray photoelectron spectroscopies

NASA Astrophysics Data System (ADS)

Finnie, Kim S.; Zhang, Zhaoming; Vance, Eric R.; Carter, Melody L.

2003-04-01

The valence state of uranium doped into a f 0 thorium analog of brannerite (i.e., thorutite) has been examined using near-infrared (NIR) diffuse reflectance (DRS) and X-ray photoelectron (XPS) spectroscopies. NIR transitions of U 4+, which are not observed in spectra of brannerite, have been detected in the samples of U xTh 1- xTi 2O 6, and we propose that strong specular reflectance is responsible for the lack of U 4+ features in UTi 2O 6. Characteristic U 5+ bands have been identified in samples in which sufficient Ca 2+ has been added to nominally effect complete oxidation to U 5+. XPS results support the assignments of U 4+ and U 5+ by DRS. The presence of residual U 4+ bands in the spectra of the Ca-doped samples is consistent with segregation of Ca 2+ to the grain boundaries during high temperature sintering.

Modeling the unidentified infrared emission with combinations of polycyclic aromatic hydrocarbons

NASA Technical Reports Server (NTRS)

Allamandola, L. J.; Hudgins, D. M.; Sandford, S. A.

1999-01-01

The infrared emission band spectrum associated with many different interstellar objects can be modeled successfully by using combined laboratory spectra of neutral and positively charged polycyclic aromatic hydrocarbons (PAHs). These model spectra, shown here for the first time, alleviate the principal spectroscopic criticisms previously leveled at the PAH hypothesis and demonstrate that mixtures of free molecular PAHs can indeed account for the overall appearance of the widespread interstellar infrared emission spectrum. Furthermore, these models give us insight into the structures, stabilities, abundances, and ionization balance of the interstellar PAH population. These, in turn, reflect conditions in the emission zones and shed light on the microscopic processes involved in the carbon nucleation, growth, and evolution in circumstellar shells and the interstellar medium.

[Fast determination of induction period of motor gasoline using Fourier transform attenuated total reflection infrared spectroscopy].

PubMed

Liu, Ya-Fei; Yuan, Hong-Fu; Song, Chun-Feng; Xie, Jin-Chun; Li, Xiao-Yu; Yan, De-Lin

2014-11-01

A new method is proposed for the fast determination of the induction period of gasoline using Fourier transform attenuated total reflection infrared spectroscopy (ATR-FTIR). A dedicated analysis system with the function of spectral measurement, data processing, display and storage was designed and integrated using a Fourier transform infrared spectrometer module and chemometric software. The sample presentation accessory designed which has advantages of constant optical path, convenient sample injection and cleaning is composed of a nine times reflection attenuated total reflectance (ATR) crystal of zinc selenide (ZnSe) coated with a diamond film and a stainless steel lid with sealing device. The influence of spectral scanning number and repeated sample loading times on the spectral signal-to-noise ratio was studied. The optimum spectral scanning number is 15 times and the optimum sample loading number is 4 times. Sixty four different gasoline samples were collected from the Beijing-Tianjin area and the induction period values were determined as reference data by standard method GB/T 8018-87. The infrared spectra of these samples were collected in the operating condition mentioned above using the dedicated fast analysis system. Spectra were pretreated using mean centering and 1st derivative to reduce the influence of spectral noise and baseline shift A PLS calibration model for the induction period was established by correlating the known induction period values of the samples with their spectra. The correlation coefficient (R2), standard error of calibration (SEC) and standard error of prediction (SEP) of the model are 0.897, 68.3 and 91.9 minutes, respectively. The relative deviation of the model for gasoline induction period prediction is less than 5%, which meets the requirements of repeatability tolerance in GB method. The new method is simple and fast. It takes no more than 3 minutes to detect one sample. Therefore, the method is feasible for implementing fast determination of gasoline induction period, and of a positive meaning in the evaluation of fuel quality.

Thermal infrared spectroscopy and modeling of experimentally shocked plagioclase feldspars

USGS Publications Warehouse

Johnson, J. R.; Horz, F.; Staid, M.I.

2003-01-01

Thermal infrared emission and reflectance spectra (250-1400 cm-1; ???7???40 ??m) of experimentally shocked albite- and anorthite-rich rocks (17-56 GPa) demonstrate that plagioclase feldspars exhibit characteristic degradations in spectral features with increasing pressure. New measurements of albite (Ab98) presented here display major spectral absorptions between 1000-1250 cm-1 (8-10 ??m) (due to Si-O antisymmetric stretch motions of the silica tetrahedra) and weaker absorptions between 350-700 cm-1 (14-29 ??m) (due to Si-O-Si octahedral bending vibrations). Many of these features persist to higher pressures compared to similar features in measurements of shocked anorthite, consistent with previous thermal infrared absorption studies of shocked feldspars. A transparency feature at 855 cm-1 (11.7 ??m) observed in powdered albite spectra also degrades with increasing pressure, similar to the 830 cm-1 (12.0 ??m) transparency feature in spectra of powders of shocked anorthite. Linear deconvolution models demonstrate that combinations of common mineral and glass spectra can replicate the spectra of shocked anorthite relatively well until shock pressures of 20-25 GPa, above which model errors increase substantially, coincident with the onset of diaplectic glass formation. Albite deconvolutions exhibit higher errors overall but do not change significantly with pressure, likely because certain clay minerals selected by the model exhibit absorption features similar to those in highly shocked albite. The implication for deconvolution of thermal infrared spectra of planetary surfaces (or laboratory spectra of samples) is that the use of highly shocked anorthite spectra in end-member libraries could be helpful in identifying highly shocked calcic plagioclase feldspars.

Study of dynamical process of heat denaturation in optically trapped single microorganisms by near-infrared Raman spectroscopy

NASA Astrophysics Data System (ADS)

Xie, Changan; Li, Yong-qing; Tang, Wei; Newton, Ronald J.

2003-11-01

The development of laser traps has made it possible to investigate single cells and record real-time Raman spectra during a heat-denaturation process when the temperature of the surrounding medium is increased. Large changes in the phenylalanine band (1004 cm-1) of near-infrared spectra between living and heat-treated cells were observed in yeast and Escerichia coli and Enterobacter aerogenes bacteria. This change appears to reflect the change in environment of phenylalanine as proteins within the cells unfold as a result of increasing temperatures. As a comparison, we measured Raman spectra of native and heat-denatured solutions of bovine serum albumin proteins, and a similar change in the phenylalanine band of spectra was observed. In addition, we measured Raman spectra of native and heat-treated solutions of pure phenylalanine molecules; no observable difference in vibrational spectra was observed. These findings may make it possible to study conformational changes in proteins within single cells.

Constraints on iron sulfate and iron oxide mineralogy from ChemCam visible/near-infrared reflectance spectroscopy of Mt. Sharp basal units, Gale Crater, Mars

DOE PAGES

Johnson, Jeffrey R.; Bell, James F.; Bender, Steve; ...

2016-07-01

Relative reflectace point spectra (400–840 nm) were acquired by the Chemistry and Camera (ChemCam) instrument on the Mars Science Laboratory (MSL) rover Curiosity in passive mode (no laser) of drill tailings and broken rock fragments near the rover as it entered the lower reaches of Mt. Sharp and of landforms at distances of 2–8 km. Freshly disturbed surfaces are less subject to the spectral masking effects of dust, and revealed spectral features consistent with the presence of iron oxides and ferric sulfates. Here, we present the first detection on Mars of a ~433 nm absorption band consistent with small abundancesmore » of ferric sulfates, corroborated by jarosite detections by the Chemistry and Mineralogy (CheMin) X-ray diffraction instrument in the Mojave, Telegraph Peak, and Confidence Hills drilled samples. The disturbed materials near the Bonanza King region also exhibited strong 433 nm bands and negative near-infrared spectral slopes consistent with jarosite. ChemCam passive spectra of the Confidence Hills and Mojave drill tailings showed features suggestive of the crystalline hematite identified by CheMin analyses. The Windjana drill sample tailings exhibited flat, low relative reflectance spectra, explained by the occurrence of magnetite detected by CheMin. Passive spectra of Bonanza King were similar, suggesting the presence of spectrally dark and neutral minerals such as magnetite. Long-distance spectra of the “Hematite Ridge” feature (3–5 km from the rover) exhibited features consistent with crystalline hematite. The Bagnold dune field north of the Hematite Ridge area exhibited low relative reflectance and near-infrared features indicative of basaltic materials (olivine, pyroxene). Light-toned layers south of Hematite Ridge lacked distinct spectral features in the 400–840 nm region, and may represent portions of nearby clay minerals and sulfates mapped with orbital near-infrared observations. The presence of ferric sulfates such as jarosite in the drill tailings suggests a relatively acidic environment, likely associated with flow of iron-bearing fluids, associated oxidation, and/or hydrothermal leaching of sedimentary rocks. Combined with other remote sensing data sets, mineralogical constraints from ChemCam passive spectra will continue to play an important role in interpreting the mineralogy and composition of materials encountered as Curiosity traverses further south within the basal layers of the Mt. Sharp complex.« less

Constraints on iron sulfate and iron oxide mineralogy from ChemCam visible/near-infrared reflectance spectroscopy of Mt. Sharp basal units, Gale Crater, Mars

DOE Office of Scientific and Technical Information (OSTI.GOV)

Johnson, Jeffrey R.; Bell, James F.; Bender, Steve

Relative reflectace point spectra (400–840 nm) were acquired by the Chemistry and Camera (ChemCam) instrument on the Mars Science Laboratory (MSL) rover Curiosity in passive mode (no laser) of drill tailings and broken rock fragments near the rover as it entered the lower reaches of Mt. Sharp and of landforms at distances of 2–8 km. Freshly disturbed surfaces are less subject to the spectral masking effects of dust, and revealed spectral features consistent with the presence of iron oxides and ferric sulfates. Here, we present the first detection on Mars of a ~433 nm absorption band consistent with small abundancesmore » of ferric sulfates, corroborated by jarosite detections by the Chemistry and Mineralogy (CheMin) X-ray diffraction instrument in the Mojave, Telegraph Peak, and Confidence Hills drilled samples. The disturbed materials near the Bonanza King region also exhibited strong 433 nm bands and negative near-infrared spectral slopes consistent with jarosite. ChemCam passive spectra of the Confidence Hills and Mojave drill tailings showed features suggestive of the crystalline hematite identified by CheMin analyses. The Windjana drill sample tailings exhibited flat, low relative reflectance spectra, explained by the occurrence of magnetite detected by CheMin. Passive spectra of Bonanza King were similar, suggesting the presence of spectrally dark and neutral minerals such as magnetite. Long-distance spectra of the “Hematite Ridge” feature (3–5 km from the rover) exhibited features consistent with crystalline hematite. The Bagnold dune field north of the Hematite Ridge area exhibited low relative reflectance and near-infrared features indicative of basaltic materials (olivine, pyroxene). Light-toned layers south of Hematite Ridge lacked distinct spectral features in the 400–840 nm region, and may represent portions of nearby clay minerals and sulfates mapped with orbital near-infrared observations. The presence of ferric sulfates such as jarosite in the drill tailings suggests a relatively acidic environment, likely associated with flow of iron-bearing fluids, associated oxidation, and/or hydrothermal leaching of sedimentary rocks. Combined with other remote sensing data sets, mineralogical constraints from ChemCam passive spectra will continue to play an important role in interpreting the mineralogy and composition of materials encountered as Curiosity traverses further south within the basal layers of the Mt. Sharp complex.« less

Regional calibration models for predicting loblolly pine tracheid properties using near-infrared spectroscopy

Treesearch

Mohamad Nabavi; Joseph Dahlen; Laurence Schimleck; Thomas L. Eberhardt; Cristian Montes

2018-01-01

This study developed regional calibration models for the prediction of loblolly pine (Pinus taeda) tracheid properties using near-infrared (NIR) spectroscopy. A total of 1842 pith-to-bark radial strips, aged 19–31 years, were acquired from 268 trees from 109 stands across the southeastern USA. Diffuse reflectance NIR spectra were collected at 10-mm...

ATR-FTIR Spectroscopy in the Undergraduate Chemistry Laboratory: Part II--A Physical Chemistry Laboratory Experiment on Surface Adsorption

ERIC Educational Resources Information Center

Schuttlefield, Jennifer D.; Larsen, Sarah C.; Grassian, Vicki H.

2008-01-01

Attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy is a useful technique for measuring the infrared spectra of solids and liquids as well as probing adsorption on particle surfaces. The use of FTIR-ATR spectroscopy in organic and inorganic chemistry laboratory courses as well as in undergraduate research was presented…

Effects of structure distortion on optical phonon properties of crystalline beta-BaTeMo{sub 2}O{sub 9}—A novel nonlinear optical material: Infrared and Raman spectra as well as first-principles calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhou, S. T.; Huang, Y.; Qiu, W. Y.

2013-12-21

The infrared dielectric property of monoclinic BaTeMo{sub 2}O{sub 9} single crystals is studied by polarized IR reflectance spectra from 20 to 1800 cm{sup −1}. Based on the modified Lorentz model, the frequencies, strengths, and dampings of TO modes as well as the orientations of the dipole momenta are determined, agreeing well with Raman spectra and results from First-principles calculation. The observed modes are visually assigned to the specific atoms' motions in the primitive cell based on the theory calculations. A large shift of the internal modes of the anion groups relative to free anion co-ordination polyhedra is observed, which can bemore » used to indicate the distortions of co-ordination polyhedra related to the nonlinear optical properties. Further, the experimental results of the strengths of the oscillators support the elimination and splitting of degenerate modes in free regular polyhedrons. These results offer a way to evaluate the nonlinear optical properties by use of traditional IR reflectivity spectra.« less

Applicability of a Diffuse Reflectance Infrared Fourier Transform handheld spectrometer to perform in situ analyses on Cultural Heritage materials

NASA Astrophysics Data System (ADS)

Arrizabalaga, Iker; Gómez-Laserna, Olivia; Aramendia, Julene; Arana, Gorka; Madariaga, Juan Manuel

2014-08-01

This work studies the applicability of a Diffuse Reflectance Infrared Fourier Transform handheld device to perform in situ analyses on Cultural Heritage assets. This portable diffuse reflectance spectrometer has been used to characterise and diagnose the conservation state of (a) building materials of the Guevara Palace (15th century, Segura, Basque Country, Spain) and (b) different 19th century wallpapers manufactured by the Santa Isabel factory (Vitoria-Gasteiz, Basque Country, Spain) and by the well known Dufour and Leroy manufacturers (Paris, France), all of them belonging to the Torre de los Varona Castle (Villanañe, Basque Country, Spain). In all cases, in situ measurements were carried out and also a few samples were collected and measured in the laboratory by diffuse reflectance spectroscopy (DRIFT) in order to validate the information obtained by the handheld instrument. In the analyses performed in situ, distortions in the diffuse reflectance spectra can be observed due to the presence of specular reflection, showing the inverted bands caused by the Reststrahlen effect, in particular on those IR bands with the highest absorption coefficients. This paper concludes that the results obtained in situ by a diffuse reflectance handheld device are comparable to those obtained with laboratory diffuse reflectance spectroscopy equipment and proposes a few guidelines to acquire good spectra in the field, minimising the influence caused by the specular reflection.

Preliminary analysis of Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) for mineralogic mapping at sites in Nevada and Colorado

NASA Technical Reports Server (NTRS)

Kruse, Fred A.; Taranik, Dan L.; Kierein-Young, Kathryn S.

1988-01-01

Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) data for sites in Nevada and Colorado were evaluated to determine their utility for mineralogical mapping in support of geologic investigations. Equal energy normalization is commonly used with imaging spectrometer data to reduce albedo effects. Spectra, profiles, and stacked, color-coded spectra were extracted from the AVIRIS data using an interactive analysis program (QLook) and these derivative data were compared to Airborne Imaging Spectrometer (AIS) results, field and laboratory spectra, and geologic maps. A feature extraction algorithm was used to extract and characterize absorption features from AVIRIS and laboratory spectra, allowing direct comparison of the position and shape of absorption features. Both muscovite and carbonate spectra were identified in the Nevada AVIRIS data by comparison with laboratory and AIS spectra, and an image was made that showed the distribution of these minerals for the entire site. Additional, distinctive spectra were located for an unknown mineral. For the two Colorado sites, the signal-to-noise problem was significantly worse and attempts to extract meaningful spectra were unsuccessful. Problems with the Colorado AVIRIS data were accentuated by the IAR reflectance technique because of moderate vegetation cover. Improved signal-to-noise and alternative calibration procedures will be required to produce satisfactory reflectance spectra from these data. Although the AVIRIS data were useful for mapping strong mineral absorption features and producing mineral maps at the Nevada site, it is clear that significant improvements to the instrument performance are required before AVIRIS will be an operational instrument.

The effects of atmospheric pressure on infrared reflectance spectra of Martian analogs

NASA Technical Reports Server (NTRS)

Bishop, Janice L.; Pieters, Carle M.; Pratt, Stephen F.; Patterson, William

1993-01-01

The use of terrestrial samples as analogs of Mars soils are complicated by the Martian atmosphere. Spectral features due to the Martian atmosphere can be removed from telescopic spectra of Mars and ISM spectra of Mars, but this does not account for any spectral differences resulting from atmospheric pressure or any interactions between the atmosphere and the surface. We are examining the effects of atmospheric pressure on reflectance spectra of powdered samples in the laboratory. Contrary to a previous experiment with granite, no significant changes in albedo or the Christiansen feature were observed from 1 bar pressure down to a pressure of 8 micrometers Hg. However, reducing the atmospheric pressure does have a pronounced affect on the hydration features, even for samples retained in a dry environment for years.

Analysis of fingerprints features of infrared spectra of various processed products of Radix Aconiti kusnezoffii

NASA Astrophysics Data System (ADS)

Tu-ya; Yang, Ping; Sun, Su-qin; Zhou, Qun; Bao, Xiao-hua; Noda, Isao

2010-06-01

Fourier-transform infrared spectroscopy (FTIR) and two-dimensional correlation infrared spectroscopy (2D-IR)) are employed to analyze various processed products and ether extracts of Radix Aconiti kusnezoffii. There is a resemblance among the spectra of different processed products. The major difference lies in the absorption peak at 1641 cm -1 in the IR spectra, which reflects the transformation of raw aconite to the processed products. There are distinctive differences in the absorption peaks in the range of 1800-1500 cm -1 in the second derivative spectra, which has better resolution, of different processed products. 2D-IR spectra, which elevate the resolution further, can present even more differences among the products in the range of 1800-800 cm -1. Analysis of ether extracts of various processed products proves that there are alcohols, esters, carboxylic acids or ketones in all of them. However, their contents in different samples have obvious differences. With the advantages of high resolution, high-speed and convenience, IR can quickly and precisely distinguish various processed products of Radix A. kusnezoffii, and can be applied to predict the tendency of transformation of the complicated chemical mixture systems under heat perturbation.

Hollow optical-fiber based infrared spectroscopy for measurement of blood glucose level by using multi-reflection prism.

PubMed

Kino, Saiko; Omori, Suguru; Katagiri, Takashi; Matsuura, Yuji

2016-02-01

A mid-infrared attenuated total reflection (ATR) spectroscopy system employing hollow optical fibers and a trapezoidal multi-reflection ATR prism has been developed to measure blood glucose levels. Using a multi-reflection prism brought about higher sensitivity, and the flat and wide contact surface of the prism resulted in higher measurement reproducibility. An analysis of in vivo measurements of human inner lip mucosa revealed clear signatures of glucose in the difference spectra between ones taken during the fasting state and ones taken after ingestion of glucose solutions. A calibration plot based on the absorption peak at 1155 cm(-1) that originates from the pyranose ring structure of glucose gave measurement errors less than 20%.

Infrared backscattering

NASA Technical Reports Server (NTRS)

Bohren, Craig F.; Nevitt, Timothy J.; Singham, Shermila Brito

1989-01-01

All particles in the atmosphere are not spherical. Moreover, the scattering properties of randomly oriented nonspherical particles are not equivalent to those of spherical particles no matter how the term equivalent is defined. This is especially true for scattering in the backward direction and at the infrared wavelengths at which some atmospheric particles have strong absorption bands. Thus calculations based on Mie theory of infrared backscattering by dry or insoluble atmospheric particles are suspect. To support this assertion, it was noted that peaks in laboratory-measured infrared backscattering spectra show appreciable shifts compared with those calculated using Mie theory. One example is ammonium sulfate. Some success was had in modeling backscattering spectra of ammonium sulfate particles using a simple statistical theory called the continuous distribution of ellipsoids (CDE) theory. In this theory, the scattering properties of an ensemble are calculated. Recently a modified version of this theory was applied to measured spectra of scattering by kaolin particles. The particles were platelike, so the probability distribution of ellipsoidal shapes was chosen to reflect this. As with ammonium sulfate, the wavelength of measured peak backscattering is shifted longward of that predicted by Mie theory.

Cartilage analysis by reflection spectroscopy

NASA Astrophysics Data System (ADS)

Laun, T.; Muenzer, M.; Wenzel, U.; Princz, S.; Hessling, M.

2015-07-01

A cartilage bioreactor with analytical functions for cartilage quality monitoring is being developed. For determining cartilage composition, reflection spectroscopy in the visible (VIS) and near infrared (NIR) spectral region is evaluated. Main goal is the determination of the most abundant cartilage compounds water, collagen I and collagen II. Therefore VIS and NIR reflection spectra of different cartilage samples of cow, pig and lamb are recorded. Due to missing analytical instrumentation for identifying the cartilage composition of these samples, typical literature concentration values are used for the development of chemometric models. In spite of these limitations the chemometric models provide good cross correlation results for the prediction of collagen I and II and water concentration based on the visible and the NIR reflection spectra.

Fourier transform infrared and Raman spectroscopic characterization of homogeneous solution concentration gradients near a container wall at different temperatures

NASA Technical Reports Server (NTRS)

Loo, B. H.; Burns, D. H.; Lee, Y. G. L.; Emerson, M. T.

1991-01-01

Fourier transform infrared (FTIR) and Raman spectroscopic techniques were used to study the solution concentration gradient in succino nitrile-rich and water-rich homogeneous solutions. The spectroscopic data shows significant concentration dependency. Although FTIR-attenuated total reflectance could not yield surface spectra since the evanescent infrared wave penetrated deep into the bulk solution, it showed that water-rich clusters were decreased at higher temperatures. This result is consistent with the calorimetric results reported earlier.

Broadband Mid-Infrared Stand-Off Reflection-Absorption Spectroscopy Using a Pulsed External Cavity Quantum Cascade Laser.

PubMed

Liu, Xunchen; Chae, Inseok; Miriyala, Naresh; Lee, Dongkyu; Thundat, Thomas; Kim, Seonghwan

2017-07-01

Broadband mid-infrared molecular spectroscopy is essential for detection and identification of many chemicals and materials. In this report, we present stand-off mid-infrared spectra of 1,3,5-trinitro-1,3,5-triazine or cyclotrimethylene trinitramine (RDX) residues on a stainless-steel surface measured by a broadband external cavity quantum cascade laser (QCL) system. The pulsed QCL is continuously scanned over 800 cm -1 in the molecular fingerprint region and the amplitude of the reflection signal is measured by either a boxcar-averager-based scheme or a lock-in-amplifier-based scheme with 1 MHz and 100 kHz quartz crystal oscillators. The main background noise is due to the laser source instability and is around 0.1% of normalized intensity. The direct absorption spectra have linewidth resolution around 0.1 cm -1 and peak height sensitivity around 10 -2 due to baseline interference fringes. Stand-off detection of 5-50 µg/cm 2 of RDX trace adsorbed on a stainless steel surface at the distance of 5 m is presented.

Hydration Map, Based on Mastcam Spectra, for Knorr Rock Target

NASA Image and Video Library

2013-03-18

On this image of the rock target Knorr, color coding maps the amount of mineral hydration indicated by a ratio of near-infrared reflectance intensities measured by the Mastcam on NASA Mars rover Curiosity.

Hydration Map, Based on Mastcam Spectra, for broken rock Tintina

NASA Image and Video Library

2013-03-18

On this image of the broken rock called Tintina, color coding maps the amount of mineral hydration indicated by a ratio of near-infrared reflectance intensities measured by the Mastcam on NASA Mars rover Curiosity.

Attenuated Total Reflection Fourier Transform Infrared Spectroscopy (ATR FT-IR) Mapping Coupled with Multivariate Curve Resolution (MCR) for Studying the Miscibility of Chlorobutyl Rubber/Polyamide-12 Blends.

PubMed

Tang, Yongjiao; Jing, Nan; Zhang, Pudun

2015-11-01

A series of chlorobutyl rubber/polyamide-12 (CIIR/PA-12) blends compatibilized by different amounts of maleic anhydride (MAH) grafted polypropylene (PP-g-MAH) were investigated by attenuated total reflection Fourier transform infrared spectroscopy (ATR FT-IR) mapping. Multivariate curve resolution (MCR) was used to process the FT-IR images. Both the spectra of pure components in the blends and their concentration distributions in a micro-region were acquired. Our results demonstrated that the blend with 15 parts per hundred rubber PP-g-MAH showed the best miscibility. An amide interphase and an imide interphase were inferred by analyzing the spectra of MCR component 3 of the blends with and without PP-g-MAH, respectively. Correspondingly, two different compatibilizing mechanisms were proposed for these blends.

Fast determination of total ginsenosides content in ginseng powder by near infrared reflectance spectroscopy

NASA Astrophysics Data System (ADS)

Chen, Hua-cai; Chen, Xing-dan; Lu, Yong-jun; Cao, Zhi-qiang

2006-01-01

Near infrared (NIR) reflectance spectroscopy was used to develop a fast determination method for total ginsenosides in Ginseng (Panax Ginseng) powder. The spectra were analyzed with multiplicative signal correction (MSC) correlation method. The best correlative spectra region with the total ginsenosides content was 1660 nm~1880 nm and 2230nm~2380 nm. The NIR calibration models of ginsenosides were built with multiple linear regression (MLR), principle component regression (PCR) and partial least squares (PLS) regression respectively. The results showed that the calibration model built with PLS combined with MSC and the optimal spectrum region was the best one. The correlation coefficient and the root mean square error of correction validation (RMSEC) of the best calibration model were 0.98 and 0.15% respectively. The optimal spectrum region for calibration was 1204nm~2014nm. The result suggested that using NIR to rapidly determinate the total ginsenosides content in ginseng powder were feasible.

Thermal infrared reflectance and emission spectroscopy of quartzofeldspathic glasses

USGS Publications Warehouse

Byrnes, J.M.; Ramsey, M.S.; King, P.L.; Lee, R.J.

2007-01-01

This investigation seeks to better understand the thermal infrared (TIR) spectral characteristics of naturally-occurring amorphous materials through laboratory synthesis and analysis of glasses. Because spectra of glass phases differ markedly from their mineral counterparts, examination of glasses is important to accurately determine the composition of amorphous surface materials using remote sensing datasets. Quantitatively characterizing TIR (5-25 ??m) spectral changes that accompany structural changes between glasses and mineral crystals provides the means to understand natural glasses on Earth and Mars. A suite of glasses with compositions analogous to common terrestrial volcanic glasses was created and analyzed using TIR reflectance and emission techniques. Documented spectral characteristics provide a basis for comparison with TIR spectra of other amorphous materials (glasses, clays, etc.). Our results provide the means to better detect and characterize glasses associated with terrestrial volcanoes, as well as contribute toward understanding the nature of amorphous silicates detected on Mars. Copyright 2007 by the American Geophysical Union.

Thermal infrared spectral character of Hawaiian basaltic glasses

NASA Technical Reports Server (NTRS)

Crisp, Joy; Kahle, Anne B.; Abbott, Elsa A.

1990-01-01

Thermal IR reflectance spectra of exposed surfaces of Hawaiian basalt samples from Mauna Loa and Kilauea show systematic changes with age. Spectra of fresh glass collected from active lava flows showed evidence of a strong degree of disorder. After a few weeks of exposure to the laboratory environment, spectra of the top surfaces of these samples began to exhibit spectral features suggestive of ordering into silicate chainlike ansd sheetlike units. With progressive aging, features of apparent sheetlike structures became the preferred mode.

High reflected cubic cavity as long path absorption cell for infrared gas sensing

NASA Astrophysics Data System (ADS)

Yu, Jia; Gao, Qiang; Zhang, Zhiguo

2014-10-01

One direct and efficient method to improve the sensitivity of infrared gas sensors is to increase the optical path length of gas cells according to Beer-Lambert Law. In this paper, cubic shaped cavities with high reflected inner coating as novel long path absorption cells for infrared gas sensing were developed. The effective optical path length (EOPL) for a single cubic cavity and tandem cubic cavities were investigated based on Tunable Diode Laser Absorption Spectroscopy (TDLAS) measuring oxygen P11 line at 763 nm. The law of EOPL of a diffuse cubic cavity in relation with the reflectivity of the coating, the port fraction and side length of the cavity was obtained. Experimental results manifested an increase of EOPL for tandem diffuse cubic cavities as the decrease of port fraction of the connecting aperture f', and the EOPL equaled to the sum of that of two single cubic cavities at f'<0.01. The EOPL spectra at infrared wavelength range for different inner coatings including high diffuse coatings and high reflected metallic thin film coatings were deduced.

Reflectance infrared spectroscopy for in-line monitoring of nicotine during a coating process for an oral thin film.

PubMed

Hammes, Florian; Hille, Thomas; Kissel, Thomas

2014-02-01

A process analytical method using reflectance infrared spectrometry was developed for the in-line monitoring of the amount of the active pharmaceutical ingredient (API) nicotine during a coating process for an oral thin film (OTF). In-line measurements were made using a reflectance infrared (RI) sensor positioned after the last drying zone of the coating line. Real-time spectra from the coating process were used for modelling the nicotine content. Partial least squares (PLS1) calibration models with different data pre-treatments were generated. The calibration model with the most comparable standard error of calibration (SEC) and the standard error of cross validation (SECV) was selected for an external validation run on the production coating line with an independent laminate. Good correlations could be obtained between values estimated from the reflectance infrared data and the reference HPLC test method, respectively. With in-line measurements it was possible to allow real-time adjustments during the production process to keep product specifications within predefined limits hence avoiding loss of material and batch. Copyright © 2013 Elsevier B.V. All rights reserved.

USGS Digital Spectral Library splib05a

USGS Publications Warehouse

Clark, Roger N.; Swayze, Gregg A.; Wise, Richard K.; Livo, Eric; Hoefen, Todd M.; Kokaly, Raymond F.; Sutley, Steve J.

2003-01-01

We have assembled a digital reflectance spectral library of spectra that covers wavelengths from the ultraviolet to near-infrared along with sample documentation. The library includes samples of minerals, rocks, soils, physically constructed as well as mathematically computed mixtures, vegetation, microorganisms, and man-made materials. The samples and spectra collected were assembled for the purpose of using spectral features for the remote detection of these and similar materials.

Remote compositional analysis of lunar olivine-rich lithologies with Moon Mineralogy Mapper (M3) spectra

USGS Publications Warehouse

Isaacson, P.J.; Pieters, C.M.; Besse, S.; Clark, R.N.; Head, J.W.; Klima, R.L.; Mustard, J.F.; Petro, N.E.; Staid, M.I.; Sunshine, J.M.; Taylor, L.A.; Thaisen, K.G.; Tompkins, S.

2011-01-01

A systematic approach for deconvolving remotely sensed lunar olivine-rich visible to near-infrared (VNIR) reflectance spectra with the Modified Gaussian Model (MGM) is evaluated with Chandrayaan-1 Moon Mineralogy Mapper (M 3) spectra. Whereas earlier studies of laboratory reflectance spectra focused only on complications due to chromite inclusions in lunar olivines, we develop a systematic approach for addressing (through continuum removal) the prominent continuum slopes common to remotely sensed reflectance spectra of planetary surfaces. We have validated our continuum removal on a suite of laboratory reflectance spectra. Suites of olivine-dominated reflectance spectra from a small crater near Mare Moscoviense, the Copernicus central peak, Aristarchus, and the crater Marius in the Marius Hills were analyzed. Spectral diversity was detected in visual evaluation of the spectra and was quantified using the MGM. The MGM-derived band positions are used to estimate the olivine's composition in a relative sense. Spectra of olivines from Moscoviense exhibit diversity in their absorption features, and this diversity suggests some variation in olivine Fe/Mg content. Olivines from Copernicus are observed to be spectrally homogeneous and thus are predicted to be more compositionally homogeneous than those at Moscoviense but are of broadly similar composition to the Moscoviense olivines. Olivines from Aristarchus and Marius exhibit clear spectral differences from those at Moscoviense and Copernicus but also exhibit features that suggest contributions from other phases. If the various precautions discussed here are weighed carefully, the methods presented here can be used to make general predictions of absolute olivine composition (Fe/Mg content). Copyright ?? 2011 by the American Geophysical Union.

Development of a method for the determination of Fusarium fungi on corn using mid-infrared spectroscopy with attenuated total reflection and chemometrics.

PubMed

Kos, Gregor; Lohninger, Hans; Krska, Rudolf

2003-03-01

A novel method, which enables the determination of fungal infection with Fusarium graminearum on corn within minutes, is presented. The ground sample was sieved and the particle size fraction between >250 and 100 microm was used for mid-infrared/attenuated total reflection (ATR) measurements. The sample was pressed onto the ATR crystal, and reproducible pressure was applied. After the spectra were recorded, they were subjected to principle component analysis (PCA) and classified using cluster analysis. Observed changes in the spectra reflected changes in protein, carbohydrate, and lipid contents. Ergosterol (for the total fungal biomass) and the toxin deoxynivalenol (DON; a secondary metabolite) of Fusarium fungi served as reference parameters, because of their relevance for the examination of corn based food and feed. The repeatability was highly improved by sieving prior to recording the spectra, resulting in a better clustering in PCA score/score plots. The developed method enabled the separation of samples with a toxin content of as low as 310 microg/kg from noncontaminated (blank) samples. Investigated concentration ranges were 880-3600 microg/kg for ergosterol and 310-2596 microg/kg for DON. The percentage of correctly classified samples was up to 100% for individual samples compared with a number of blank samples.

The low-iron, reduced surface of Mercury as seen in spectral reflectance by MESSENGER

NASA Astrophysics Data System (ADS)

Izenberg, Noam R.; Klima, Rachel L.; Murchie, Scott L.; Blewett, David T.; Holsclaw, Gregory M.; McClintock, William E.; Malaret, Erick; Mauceri, Calogero; Vilas, Faith; Sprague, Ann L.; Helbert, Jörn; Domingue, Deborah L.; Head, James W.; Goudge, Timothy A.; Solomon, Sean C.; Hibbitts, Charles A.; Dyar, M. Darby

2014-01-01

The MESSENGER spacecraft's Mercury Atmospheric and Surface Composition Spectrometer (MASCS) obtained more than 1.6 million reflectance spectra of Mercury's surface from near-ultraviolet to near-infrared wavelengths during the first year of orbital operations. A global analysis of spectra in the wavelength range 300-1450 nm shows little regional variation in absolute reflectance or spectral slopes and a lack of mineralogically diagnostic absorptions. In particular, reflectance spectra show no clear evidence for an absorption band centered near 1 μm that would be associated with the presence of ferrous iron in silicates. There is, however, evidence for an ultraviolet absorption possibly consistent with a very low iron content (2-3 wt% FeO or less) in surface silicates and for the presence of small amounts of metallic iron or other opaque minerals in the form of nano- or micrometer-sized particles. These findings are consistent with MESSENGER X-ray and gamma-ray measurements of Mercury's surface iron abundance. Although X-ray and gamma-ray observations indicate higher than expected quantities of sulfur on the surface, reflectance spectra show no absorption bands diagnostic of sulfide minerals. Whereas there is strong evidence of water ice in permanently shadowed craters near Mercury's poles, MASCS spectra provide no evidence for hydroxylated materials near permanently shadowed craters.

A Thermal Infrared Emission Spectra Library for Unpowdered Meteorites

NASA Astrophysics Data System (ADS)

Ashley, J. W.; Christensen, P. R.

2007-12-01

Mid-infrared thermal emission spectra have been obtained for whole-rock (unpowdered) samples of the following 25 meteorites: Abee, Admire, Allende, Bondoc, Brahin, Bruderheim, Canyon Diablo, Carichic, Clover Springs, Dhofar 007, Estherville, Holbrook, Juancheng, Kapoeta, Long Island, Marion, Modoc, ALH77225, ALH77233, ALH84082, LEW85322, ALH85025, ALH79029, ALH77004, and LEW86015. Meteorites were provided through the Center for Meteorite Studies at ASU, Johnson Space Center and the NASA Antarctic Meteorite Working Group, and from private collections. The database was prepared to aid in the on-going detection and interpretation of meteorites on Mars using the Miniature Thermal Emission Spectrometer (Mini-TES) instruments on both Mars Exploration Rovers. It therefore includes several specimens of low, moderate, and high weathering intensities, reflecting different levels of water exposure in desert and non-desert environments. Unweathered falls are also considered. Samples represent all three chondrite classes, stony irons (mesosiderites and pallasites), and select achondrites. Special consideration is given to dust-covered iron-nickel meteorites as part of a separate study designed to evaluate the Mini-TES spectra of iron-nickel meteorites on Mars. All samples were analyzed at or near a temperature of 80° C using a modified Nicolet Nexus 670 FT-IR spectrometer at the Mars Space Flight Facility at Arizona State University. Data were collected within the 2000 to 200 wavenumber (5 to 50 microns) mid-infrared range. The results show that many meteorite types display moderate to wide variability in the depth and position of prominent absorption features, making them easily distinguishable from each other. Most previous meteorite spectroscopy studies have either focused on near-infrared reflectance spectra [e.g. 1], and/or involved powdered samples to represent asteroid regoliths in the mid-infrared [e.g. 2 & 3]. Particle size- related issues are often at the heart of interpretation of asteroid spectroscopic studies in the mid-infrared [4]. However, the high-resolution Itokawa imaging results of the Hayabusa mission have shown that not all asteroid surfaces are dominated by powdered materials [e.g. 5]. It is therefore anticipated that whole-rock, mid-infrared emission spectra may serve a further purpose in studies conducted with Spitzer Space Telescope and other space-born observatories equipped with mid-infrared detectors. The library will therefore continue to be augmented with additional spectra, to include unweathered carbonaceous chondrites and achondrites at a minimum. All spectra are available through the Arizona State University Thermal Emission Spectral Library. References: [1] Sato K. and Miyamoto M. (1998) Antarctic Meteorite Research 11, 155-162. [2] Salisbury J.W. et al. (1991) NASA Technical Memorandum #4300, 262-204. [3] Dameron S.N. and Burbine T.H. (2006) LPSC XXXVII, abstract #1828. [4] Emery J.P. et al. (2006) Icarus 182, 496-512. [5] Miyamoto et al. (2007) Science 316, 1011- 1014.

Using reflectance spectroscopy to predict beef tenderness.

PubMed

Bowling, M B; Vote, D J; Belk, K E; Scanga, J A; Tatum, J D; Smith, G C

2009-05-01

A study was conducted to determine if reflectance measurements made in the near-infrared region of the spectrum were additive to reflectance measurements made in the visible region of the spectrum for predicting Warner-Bratzler shear force (WBSF) values. Eighty seven strip loins were collected following fabrication over 3d at a commercial beef processing facility from heifer carcasses with Slight or Traces marbling scores. Spectroscopic measurements were made at approximately 50h postmortem using a Hunter-Lab UltraScan. Subsequently, all strip loins were aged for 14d, cooked to an internal temperature of 70°C, and sheared to obtain WBSF values. Reflectance measurements obtained in the near-infrared region of the spectrum were correlated with WBSF values, however, these measurements were not additive to the predictive ability of reflectance measurements (R(2) values did not differ) made in the visible portion of the spectrum when the use of broad-band wavelength filters were simulated. It was therefore determined, that both the visible and near-infrared spectra measure reflectance and that both methods are acceptable methods of tenderness prediction.

Reflectance Spectra of Titan Tholins at Cryogenic Temperatures and Implications for Compositional Interpretation of Red Objects in the Outer Solar System

NASA Technical Reports Server (NTRS)

Roush, T. L.; Dalton, J. B.

2002-01-01

We report the visual and near-infrared (0.4-2.5 micron) laboratory bi-directional reflectance of Titan tholin at cryogenic temperatures (approx. 100-300 K). When compared with room temperature measurements, the visual and near-infrared color of Titan tholin becomes slightly redder by approx. 5% at low temperatures in the 0.4-1.3 micron region. We estimate the influence of these colr changes on the interpretation of the Centaur Pholus and find that the modest color changes will not significantly alter existing interpretations.

Response of Grape Leaf Spectra to Phylloxera Infestation

NASA Technical Reports Server (NTRS)

Johnson, Lee F.

1999-01-01

During the 1993 growing season, leaf reflectance and chlorophyll concentrations were monitored with respect to phylloxera (root-louse) infestation in a Napa Valley (California) vineyard. Study plots were established in areas of severely infested, mildly infested, and uninfested sections of the vineyard. A handheld chlorophyll meter, measuring leaf transmittance of near-infrared and red light, confirmed that reduced foliar chlorophyll concentrations were symptomatic of phylloxera stress in the sample vines. Bidirectional reflectance measurements of green and near-infrared light, taken on fresh leaves with a laboratory spectrophotometer, were related to chlorophyll concentration but did not allow discrimination of mildly infested from uninfested vines.

Canopy reflectance related to marsh dieback onset and progression in Coastal Louisiana

USGS Publications Warehouse

Ramsey, Elijah W.; Rangoonwala, A.

2006-01-01

In this study, we extended previous work linking leaf spectral changes, dieback onset, and progression of Spartina alterniflora marshes to changes in site-specific canopy reflectance spectra. First, we obtained canopy reflectance spectra (approximately 20 m ground resolution) from the marsh sites occupied during the leaf spectral analyses and from additional sites exhibiting visual signs of dieback. Subsequently, the canopy spectra were analyzed at two spectral scales: the first scale corresponded to whole-spectra sensors, such as the NASA Earth Observing-1 (EO-1) Hyperion, and the second scale corresponded to broadband spectral sensors, such as the EO-1 Advanced Land Imager and the Landsat Enhanced Thematic Mapper. In the whole-spectra analysis, spectral indicators were generated from the whole canopy spectra (about 400 nm to 1,000 nm) by extracting typical dead and healthy marsh spectra, and subsequently using them to determine the percent composition of all canopy reflectance spectra. Percent compositions were then used to classify canopy spectra at each field site into groups exhibiting similar levels of dieback progression ranging from relatively healthy to completely dead. In the broadband reflectance analysis, blue, green, red, red-edge, and near infrared (NIR) spectral bands and NIR/green and NIR/red transforms were extracted from the canopy spectra. Spectral band and band transform indicators of marsh dieback and progression were generated by relating them to marsh status indicators derived from classifications of the 35 mm slides collected at the same time as the canopy reflectance recordings. The whole spectra and broadband spectral indicators were both able to distinguish (a) healthy marsh, (b) live marsh impacted by dieback, and (c) dead marsh, and they both provided some discrimination of dieback progression. Whole-spectra resolution sensors like the EO-1 Hyperion, however, offered an enhanced ability to categorize dieback progression. ?? 2006 American Society for Photogrammetry and Remote Sensing.

Spectral reflectance studies of the Grimaldi region of the moon

DOE Office of Scientific and Technical Information (OSTI.GOV)

Peterson, C.A.; Hawke, B.R.; Lucey, P.G.

1995-11-15

This report discusses the use ofnear-infrared reflectance spectra to investigate the composition and origin of various geologic features in the Grimaldi region of the moon. This study also investigates the composition of highlands materials exposed by the Grimaldi impact event; the nature and origin of mare and dark mantling units; and the orientale-related deposits in the region.

Application of near infrared spectroscopy (NIRS) to non-destructive internal quality inspection of tomatoes

NASA Astrophysics Data System (ADS)

Tao, Xuemei; He, Yong

2006-09-01

The internal quality of tomato such as acidity and sugar content is important to its taste thus influences the market. The objective of this paper was to demonstrate the feasibility of using a near-infrared spectroscopy (NIRS) to investigate the relationship between sugar content and acidity of tomato and absorption spectra. The N1RS reflectance of nondestructive tomatoes was measured with a Visible/NJR spectrophotometer in 325-1075 nm range. The sugar content and acidity of tomato were obtained with a handhold sugar content meter and a PH meter. The reflectance data set was recorded and analyzed with some mathematic methods. The PLS (Partial least squares) calibration method was developed for converting the NIRS reflectance of tomato into the data which determined the acidity value. BP (Back propagation) neural network was used to set up the relationship between the NIRS reflectance of tomato and sugar content. The acidity values were detected with an accuracy of 9O% and the sugar contents determined by the BP network were also very close to the measurements (coefficient of correlation r2=0.8764). NW spectra analysis would be very useful in the nondestructive internal quality inspecting of tomato.

An algorithm for chlorophyll using first difference transformations of AVIRIS reflectance spectra

NASA Technical Reports Server (NTRS)

Novo, Evlyn; Gastil, Mary; Melack, John

1995-01-01

Experimental results have shown the existence of a strong relationship between chlorophyll alpha concentration and remote sensing reflectance measured at lake level with a high resolution spectroradiometer. The objective of our study was to investigate the relationship between surface chlorophyll alpha concentration at Mono Lake and water reflectance retrieved from Airborne Visible - Infrared Imaging Spectrometer (AVIRIS) data obtained in october 7, 1992. AVIRIS data were atmospherically corrected as described by Green et al. A description of the lake-level sampling is found in Melack and Gastil. The relationship between chlorophyll concentration and both the single band reflectance and the first difference transformation of the reflectance spectra for the first 40 AVIRIS spectral bands (400 nm to 740 nm) was examined. The relationship was then used to produce a map of the surface chlorophyll distribution.

Spectral reflectance properties of carbon-bearing materials

NASA Technical Reports Server (NTRS)

Cloutis, Edward A.; Gaffey, Michael J.; Moslow, Thomas F.

1994-01-01

The 0.3-2.6 micrometers spectral reflectance properties of carbon polymorphs (graphite, carbon black, diamond), carbides (silicon carbide, cementite), and macromolecular organic-bearing materials (coal, coal tar extract, oil sand, oil shale) are found to vary from sample to sample and among groups. The carbon polymorphs are readily distinguishable on the basis of their visible-near infrared spectral slopes and shapes. The spectra of macromolecular organic-bearing materials show increases in reflectance toward longer wavelengths, exceeding the reflectance rise of more carbon-rich materials. Reflectance spectra of carbonaceous materials are affected by the crystal structure, composition, and degree of order/disorder of the samples. The characteristic spectral properties can potentially be exploited to identify individual carbonaceous grains in meteorites (as separates or in situ) or to conduct remote sensing geothermometry and identification of carbonaceous phases on asteroids.

External reflection FTIR of peptide monolayer films in situ at the air/water interface: experimental design, spectra-structure correlations, and effects of hydrogen-deuterium exchange.

PubMed Central

Flach, C R; Brauner, J W; Taylor, J W; Baldwin, R C; Mendelsohn, R

1994-01-01

A Fourier transform infrared spectrometer has been interfaced with a surface balance and a new external reflection infrared sampling accessory, which permits the acquisition of spectra from protein monolayers in situ at the air/water interface. The accessory, a sample shuttle that permits the collection of spectra in alternating fashion from sample and background troughs, reduces interference from water vapor rotation-vibration bands in the amide I and amide II regions of protein spectra (1520-1690 cm-1) by nearly an order of magnitude. Residual interference from water vapor absorbance ranges from 50 to 200 microabsorbance units. The performance of the device is demonstrated through spectra of synthetic peptides designed to adopt alpha-helical, antiparallel beta-sheet, mixed beta-sheet/beta-turn, and unordered conformations at the air/water interface. The extent of exchange on the surface can be monitored from the relative intensities of the amide II and amide I modes. Hydrogen-deuterium exchange may lower the amide I frequency by as much as 11-12 cm-1 for helical secondary structures. This shifts the vibrational mode into a region normally associated with unordered structures and leads to uncertainties in the application of algorithms commonly used for determination of secondary structure from amide I contours of proteins in D2O solution. PMID:7919013

Infrared spectra alteration in water proximate to the palms of therapeutic practitioners.

PubMed

Schwartz, Stephan A; De Mattei, Randall J; Brame, Edward G; Spottiswoode, S James P

2015-01-01

Through standard techniques of infrared (IR) spectrophotometry, sterile water samples in randomly selected sealed vials evidence alteration of infrared (IR) spectra after being proximate to the palms of the hands of both Practicing and Non-practicing Therapy Practitioners, each of whom employed a personal variation of the Laying-on-of-Hands/Therapeutic Touch processes. This pilot study presents 14 cases, involving 14 Practitioners and 14 Recipients. The first hypothesis, that a variation in the spectra of all (84) Treated spectra compared with all (57) Control spectra would be observed in the 2.5-3.0µm range, was confirmed (P = .02). Overall, 10% (15) of the spectra were done using a germanium internal reflection element (IRE), and 90% of the spectra (126) were done with a zinc selenide IRE. The difference in refractive index between the two IREs skews the data. The zinc selenide IRE spectra alone yield P = .005. The authors believe the most representative evidence for the effect appeared in the sample group of Treated vs Calibration Controls using the zinc selenide IRE (P = .0004). The second hypothesis, that there existed a direct relationship between intensity of effect and time of exposure, was not confirmed. This study replicates earlier findings under conditions of blindness, randomicity, and several levels of controls. Environmental factors are considered as explanations for the observed IR spectrum alteration, including temperature, barometric pressure, and variations dependent on sampling order. They do not appear to explain the effect. Copyright © 2015. Published by Elsevier Inc.

Polarized Infrared Reflectance Studies of Quaternary In0.04Al0.06Ga0.90N

NASA Astrophysics Data System (ADS)

Bakhori, S. K. Mohd; Lee, S. C.; Ahmad, M. A.; Ng, S. S.; Hassan, H. Abu

2010-07-01

Group III-nitride has re-gained considerable interest recently as wide direct band gap semiconductor materials for opto-electronic and high power devices. The quaternary InAlGaN have great flexibility in tailoring their band gap profile while maintaining their lattice-matching and structural integrity. In this study, we report for the first time the polarized infrared (IR) reflectance studies of quaternary In0.04Al0.06Ga0.90N by using Fourier transform infrared spectroscopy of Perkin-Elmer. The quaternary In0.04Al0.06Ga0.90N epilayers was grown on sapphire by molecular beam epitaxy. The polarized IR reflectance spectra obtained at incident angle of 15° were then compared with modeling spectrum of damped harmonic oscillator. Through this study, the transverse and longitudinal optical phonon modes of quaternary In0.04Al0.06Ga0.90N epilayers were obtained.

Modeling thermal infrared (2-14 micrometer) reflectance spectra of frost and snow

NASA Technical Reports Server (NTRS)

Wald, Andrew E.

1994-01-01

Existing theories of radiative transfer in close-packed media assume that each particle scatters independently of its neighbors. For opaque particles, such as are common in the thermal infrared, this assumption is not valid, and these radiative transfer theories will not be accurate. A new method is proposed, called 'diffraction subtraction', which modifies the scattering cross section of close-packed large, opaque spheres to account for the effect of close packing on the diffraction cross section of a scattering particle. This method predicts the thermal infrared reflectance of coarse (greater than 50 micrometers radius), disaggregated granular snow. However, such coarse snow is typically old and metamorphosed, with adjacent grains welded together. The reflectance of such a welded block can be described as partly Fresnel in nature and cannot be predicted using Mie inputs to radiative transfer theory. Owing to the high absorption coefficient of ice in the thermal infrared, a rough surface reflectance model can be used to calculate reflectance from such a block. For very small (less than 50 micrometers), disaggregated particles, it is incorrect in principle to treat diffraction independently of reflection and refraction, and the theory fails. However, for particles larger than 50 micrometers, independent scattering is a valid assumption, and standard radiative transfer theory works.

Applicability of a Diffuse Reflectance Infrared Fourier Transform handheld spectrometer to perform in situ analyses on Cultural Heritage materials.

PubMed

Arrizabalaga, Iker; Gómez-Laserna, Olivia; Aramendia, Julene; Arana, Gorka; Madariaga, Juan Manuel

2014-08-14

This work studies the applicability of a Diffuse Reflectance Infrared Fourier Transform handheld device to perform in situ analyses on Cultural Heritage assets. This portable diffuse reflectance spectrometer has been used to characterise and diagnose the conservation state of (a) building materials of the Guevara Palace (15th century, Segura, Basque Country, Spain) and (b) different 19th century wallpapers manufactured by the Santa Isabel factory (Vitoria-Gasteiz, Basque Country, Spain) and by the well known Dufour and Leroy manufacturers (Paris, France), all of them belonging to the Torre de los Varona Castle (Villanañe, Basque Country, Spain). In all cases, in situ measurements were carried out and also a few samples were collected and measured in the laboratory by diffuse reflectance spectroscopy (DRIFT) in order to validate the information obtained by the handheld instrument. In the analyses performed in situ, distortions in the diffuse reflectance spectra can be observed due to the presence of specular reflection, showing the inverted bands caused by the Reststrahlen effect, in particular on those IR bands with the highest absorption coefficients. This paper concludes that the results obtained in situ by a diffuse reflectance handheld device are comparable to those obtained with laboratory diffuse reflectance spectroscopy equipment and proposes a few guidelines to acquire good spectra in the field, minimising the influence caused by the specular reflection. Copyright © 2014 Elsevier B.V. All rights reserved.

Leaf Chlorophyll Content Estimation of Winter Wheat Based on Visible and Near-Infrared Sensors.

PubMed

Zhang, Jianfeng; Han, Wenting; Huang, Lvwen; Zhang, Zhiyong; Ma, Yimian; Hu, Yamin

2016-03-25

The leaf chlorophyll content is one of the most important factors for the growth of winter wheat. Visual and near-infrared sensors are a quick and non-destructive testing technology for the estimation of crop leaf chlorophyll content. In this paper, a new approach is developed for leaf chlorophyll content estimation of winter wheat based on visible and near-infrared sensors. First, the sliding window smoothing (SWS) was integrated with the multiplicative scatter correction (MSC) or the standard normal variable transformation (SNV) to preprocess the reflectance spectra images of wheat leaves. Then, a model for the relationship between the leaf relative chlorophyll content and the reflectance spectra was developed using the partial least squares (PLS) and the back propagation neural network. A total of 300 samples from areas surrounding Yangling, China, were used for the experimental studies. The samples of visible and near-infrared spectroscopy at the wavelength of 450,900 nm were preprocessed using SWS, MSC and SNV. The experimental results indicate that the preprocessing using SWS and SNV and then modeling using PLS can achieve the most accurate estimation, with the correlation coefficient at 0.8492 and the root mean square error at 1.7216. Thus, the proposed approach can be widely used for winter wheat chlorophyll content analysis.

The quality of geological information derivable from high resolution reflectance spectra - Results for mafic silicates

NASA Technical Reports Server (NTRS)

Cloutis, E. A.; Lambert, J.; Smith, D. G. W.; Gaffey, M. J.

1987-01-01

High-resolution visible and near-infrared diffuse reflectance spectra of mafic silicates can be deconvolved to yield quantitative information concerning mineral mixture properties, and the results can be directly applied to remotely sensed data. Spectral reflectance measurements of laboratory mixtures of olivine, orthophyroxene, and clinopyroxene with known chemistries, phase abundances, and particle size distributions have been utilized to develop correlations between spectral properties and the physicochemical parameters of the samples. A large number of mafic silicate spectra were measured and examined for systematic variations in spectral properties as a function of chemistry, phase abundance, and particle size. Three classes of spectral parameters (ratioed, absolute, and wavelength) were examined for any correlations. Each class is sensitive to particular mafic silicate properties. Spectral deconvolution techniques have been developed for quantifying, with varying degrees of accuracy, the assemblage properties (chemistry, phase abundance, and particle size).

Laboratory measurements of radiance and reflectance spectra of dilute secondary-treated sewage sludge

NASA Technical Reports Server (NTRS)

Witte, W. G.; Usry, J. W.; Whitlock, C. H.; Gurganus, E. A.

1977-01-01

The National Aeronautics and Space Administration (NASA), in cooperation with the Environmental Protection Agency (EPA) and the National Oceanic and Atmospheric Administration (NOAA), conducted a research program to evaluate the feasibility of remotely monitoring ocean dumping of waste products such as acid and sewage sludge. One aspect of the research program involved the measurements of upwelled spectral signatures for sewage-sludge mixtures of different concentrations in an 11600-liter tank. This paper describes the laboratory arrangement and presents radiance and reflectance spectra in the visible and near-infrared ranges for concentrations ranging from 9.7 to 180 ppm of secondary-treated sewage sludge mixed with two types of base water. Results indicate that upwelled radiance varies in a near-linear manner with concentration and that the sludge has a practically flat signal response between 420 and 970 nm. Reflectance spectra were obtained for the sewage-sludge mixtures at all wavelengths and concentrations.

Radar probing of surfactant films on the water surface using dual co-polarized SAR

NASA Astrophysics Data System (ADS)

Ermakov, S.; da Silva, J. C. B.; Kapustin, I.; Molkov, A.; Sergievskaya, I.; Shomina, O.

2016-10-01

Retrieving the water-leaving reflectance from airborne hyperspectral data implies to deal with three steps. Firstly, the radiance recorded by an airborne sensor comes from several sources: the real radiance of the object, the atmospheric scattering, sky and sun glint and the dark current of the sensor. Secondly, the dispersive element inside the sensor (usually a diffraction grating or a prism) could move during the flight, thus shifting the observed spectra on the wavelengths axis. Thirdly, to compute the reflectance, it is necessary to estimate, for each band, what value of irradiance corresponds to a 100% reflectance. We present here our calibration method, relying on the absorption features of the atmosphere and the near-infrared properties of common materials. By choosing proper flight height and flight lines angle, we can ignore atmospheric and sun glint contributions. Autocorrelation plots allow to identify and reduce the noise in our signals. Then, we compute a signal that represents the high frequencies of the spectrum, to localize the atmospheric absorption peaks (mainly the dioxygen peak around 760 nm). Matching these peaks removes the shift induced by the moving dispersive element. Finally, we use the signal collected over a Lambertian, unit-reflectance surface to estimate the ratio of the system's transmittances to its near-infrared transmittance. This transmittance is computed assuming an average 50% reflectance of the vegetation and nearly 0% for water in the near-infrared. Results show great correlation between the output spectra and ground measurements from a TriOS Ramses and the water-insight WISP-3.

Infrared and Raman spectroscopy of [Pb(Zn1/3Nb2/3)O3]0.92-[PbTiO3]0.08 and [Pb(Mg1/3Nb2/3)O3]0.71-[PbTiO3]0.29 single crystals

NASA Astrophysics Data System (ADS)

Kamba, S.; Buixaderas, E.; Petzelt, J.; Fousek, J.; Nosek, J.; Bridenbaugh, P.

2003-01-01

Far-infrared reflectivity spectra of [Pb(Zn1/3Nb2/3)O3]0.92-[PbTiO3]0.08 and [Pb(Mg1/3Nb2/3)O3]0.71-[PbTiO3]0.29 single crystals were investigated between 10 and 530 K, micro-Raman spectra were recorded between 300 and 800 K. No phonon softening was observed near either of the ferroelectric phase transitions. The low-frequency dielectric anomaly in the paraelectric phase is caused by contribution of dynamic polar nanoclusters with the main dispersion in the microwave range. Infrared and Raman spectra confirm the locally doubled unit cell (Zprim=2) in the paraelectric and ferroelectric phases due to the ordering in the perovskite B sites and occurrence of polar nanoclusters in the paraelectric phase. The lowest-frequency transverse optical (TO1) phonon mode active in the infrared spectra is underdamped in contrast to the recent result of inelastic neutron scattering, where no TO1 mode could be observed for the wave vectors q⩽0.2 Å-1. This discrepancy was explained by different q vectors probed in infrared and neutron experiments. The infrared probe couples with very long-wavelength phonons (q≈10-5 Å-1) which see the homogeneous medium averaged over the nanoclusters, whereas the neutron probe couples with phonons whose wavelength is comparable to the nanocluster size (q⩾10-2 Å-1).

Infrared fluorescence from PAHs in the laboratory

NASA Technical Reports Server (NTRS)

Cherchneff, Isabelle; Barker, John R.

1989-01-01

Several celestial objects, including UV rich regions of planetary and reflection nebulae, stars, H II regions, and extragalactic sources, are characterized by the unidentified infrared emission bands (UIR bands). A few years ago, it was proposed that polycyclic aromatic hydrocarbon species (PAHs) are responsible for most of the UIR bands. This hypothesis is based on a spectrum analysis of the observed features. Comparisons of observed IR spectra with lab absorption spectra of PAHs support the PAH hypothesis. An example spectrum is represented, where the Orion Bar 3.3 micron spectrum is compared with the absorption frequencies of the PAHs Chrysene, Pyrene, and Coronene. The laser excited 3.3 micron emission spectrum is presented from a gas phase PAH (azulen). The infrared fluorescence theory (IRF) is briefly explained, followed by a description of the experimental apparatus, a report of the results, and discussion.

Multivariate classification of the infrared spectra of cell and tissue samples

DOE Office of Scientific and Technical Information (OSTI.GOV)

Haaland, D.M.; Jones, H.D.; Thomas, E.V.

1997-03-01

Infrared microspectroscopy of biopsied canine lymph cells and tissue was performed to investigate the possibility of using IR spectra coupled with multivariate classification methods to classify the samples as normal, hyperplastic, or neoplastic (malignant). IR spectra were obtained in transmission mode through BaF{sub 2} windows and in reflection mode from samples prepared on gold-coated microscope slides. Cytology and histopathology samples were prepared by a variety of methods to identify the optimal methods of sample preparation. Cytospinning procedures that yielded a monolayer of cells on the BaF{sub 2} windows produced a limited set of IR transmission spectra. These transmission spectra weremore » converted to absorbance and formed the basis for a classification rule that yielded 100{percent} correct classification in a cross-validated context. Classifications of normal, hyperplastic, and neoplastic cell sample spectra were achieved by using both partial least-squares (PLS) and principal component regression (PCR) classification methods. Linear discriminant analysis applied to principal components obtained from the spectral data yielded a small number of misclassifications. PLS weight loading vectors yield valuable qualitative insight into the molecular changes that are responsible for the success of the infrared classification. These successful classification results show promise for assisting pathologists in the diagnosis of cell types and offer future potential for {ital in vivo} IR detection of some types of cancer. {copyright} {ital 1997} {ital Society for Applied Spectroscopy}« less

Beyond colour: consistent variation in near infrared and solar reflectivity in sunbirds (Nectariniidae)

NASA Astrophysics Data System (ADS)

Shawkey, Matthew D.; Igic, Branislav; Rogalla, Svana; Goldenberg, Jonathan; Clusella-Trullas, Susana; D'Alba, Liliana

2017-10-01

The visible spectrum represents a fraction of the sun's radiation, a large portion of which is within the near infrared (NIR). However, wavelengths outside of the visible spectrum that are reflected by coloured tissues have rarely been considered, despite their potential significance to thermal effects. Here, we report the reflectivity from 300 to 2100 nm of differently coloured feathers. We measured reflectivity across the UV-Vis-NIR spectra of different (a) body parts, (b) colour-producing mechanisms and (c) sexes for 252 individuals of 68 sunbird (family: Nectariniidae) species. Breast plumage was the most reflective and cap plumage the least. Female plumage had greater reflectivity than males. Carotenoid-based colours had the greatest reflectivity, followed by non-iridescent and iridescent melanin-based colours. As ordered arrays of melanin-filled organelles (melanosomes) produce iridescent colours, this suggests that nanostructuring may affect reflectance across the spectrum. Our results indicate that differently coloured feathers consistently vary in their thermal, as well as obvious visual, properties.

Mid-infrared reflectlance spectra (2.3-22 micions) of sulfur, gold, KBr, MgO, and halon

NASA Technical Reports Server (NTRS)

Nash, D. B.

1986-01-01

Biconical diffuse reflectance spectra in the mid-infrared are presented for powder and other solid forms of sulfur, gold, potassium bromide, magnesium oxide, and halon. Comparisons are made with previously published results of other investigators, and recommendations are made regarding the relative usefulnees of these materials as reflectance standards in the mid-IR. Sulfur has strong intrinsic bands at wavelengths greater than 7 microns that must be taken into account for its use as a reflectance standard. Some sulfur samples have hydrocarbon contaminants and in powder form may have adsorbed water, both of which produce bands in the 3-4-micron region. Potassium bromide has several weak intrinsic bands and is very sensitive to adsorbed water contamination; otherwise it is a good IR reference material. Magnesium oxide and halon have major bands structure and low reflectivity at wavelengths greater than 2.6 microns and thus are unsuitable as reference materials in the mid-IR. Vapor-deposited gold on fine sandpaper (600 grit) is very bright, spectrally flat, and fairly diffuse, so it is the superior material (of those examined) for reflectance reference material throughout the IR. Fine gold powder, on the other hand, is much less bright than evaporated gold, and its reflectivity at wavelengths greater than its particle size is highly sensitive to particle packing density.

Characterization of near infrared spectral variance in the authentication of skim and nonfat dry milk powder collection using ANOVA-PCA, Pooled-ANOVA, and partial least squares regression

USDA-ARS?s Scientific Manuscript database

Forty-one samples of skim milk powder (SMP) and non-fat dry milk (NFDM) from 8 suppliers, 13 production sites, and 3 processing temperatures were analyzed by NIR diffuse reflectance spectrometry over a period of three days. NIR reflectance spectra (1700-2500 nm) were converted to pseudo-absorbance ...

Effect of radiance-to-reflectance transformation and atmosphere removal on maximum likelihood classification accuracy of high-dimensional remote sensing data

NASA Technical Reports Server (NTRS)

Hoffbeck, Joseph P.; Landgrebe, David A.

1994-01-01

Many analysis algorithms for high-dimensional remote sensing data require that the remotely sensed radiance spectra be transformed to approximate reflectance to allow comparison with a library of laboratory reflectance spectra. In maximum likelihood classification, however, the remotely sensed spectra are compared to training samples, thus a transformation to reflectance may or may not be helpful. The effect of several radiance-to-reflectance transformations on maximum likelihood classification accuracy is investigated in this paper. We show that the empirical line approach, LOWTRAN7, flat-field correction, single spectrum method, and internal average reflectance are all non-singular affine transformations, and that non-singular affine transformations have no effect on discriminant analysis feature extraction and maximum likelihood classification accuracy. (An affine transformation is a linear transformation with an optional offset.) Since the Atmosphere Removal Program (ATREM) and the log residue method are not affine transformations, experiments with Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) data were conducted to determine the effect of these transformations on maximum likelihood classification accuracy. The average classification accuracy of the data transformed by ATREM and the log residue method was slightly less than the accuracy of the original radiance data. Since the radiance-to-reflectance transformations allow direct comparison of remotely sensed spectra with laboratory reflectance spectra, they can be quite useful in labeling the training samples required by maximum likelihood classification, but these transformations have only a slight effect or no effect at all on discriminant analysis and maximum likelihood classification accuracy.

Comparison of Pinus taeda L. whole-tree wood property calibrations using diffuse reflectance near infrared spectra obtained using a variety of sampling options

Treesearch

P. David Jones; Laurence R. Schimleck; Richard F. Daniels; Alexander Clark; Robert C. Purnell

2008-01-01

A necessary objective for tree-breeding programs, with a focus on wood quality, is the measurement of wood properties on a whole-tree basis, however, the time and cost involved limits the numbers of trees sampled. Near infrared (NIR) spectroscopy provides an alternative and recently, it has been demonstrated that calibrations based on milled increment cores and whole-...

Measurement and modelization of silica opal reflection properties: Optical determination of the silica index

NASA Astrophysics Data System (ADS)

Avoine, Amaury; Hong, Phan Ngoc; Frederich, Hugo; Frigerio, Jean-Marc; Coolen, Laurent; Schwob, Catherine; Nga, Pham Thu; Gallas, Bruno; Maître, Agnès

2012-10-01

Self-assembled artificial opals (in particular silica opals) constitute a model system to study the optical properties of three-dimensional photonic crystals. The silica optical index is a key parameter to correctly describe an opal but is difficult to measure at the submicrometer scale and usually treated as a free parameter. Here, we propose a method to extract the silica index from the opal reflection spectra and we validate it by comparison with two independent methods based on infrared measurements. We show that this index gives a correct description of the opal reflection spectra, either by a band structure or by a Bragg approximation. In particular, we are able to provide explanations in quantitative agreement with the measurements for two features : the observation of a second reflection peak in specular direction, and the quasicollapse of the p-polarized main reflection peak at a typical angle of 54∘.

Effects of the Hydration State on the Mid-Infrared Spectra of Urea and Creatinine in Relation to Urine Analyses

PubMed Central

Oliver, Katherine V.; Maréchal, Amandine

2016-01-01

When analyzing solutes by Fourier transform infrared (FT-IR) spectroscopy in attenuated total reflection (ATR) mode, drying of samples onto the ATR crystal surface can greatly increase solute band intensities and, therefore, aid detection of minor components. However, analysis of such spectra is complicated by the existence of alternative partial hydration states of some substances that can significantly alter their infrared signatures. This is illustrated here with urea, which is a dominant component of urine. The effects of hydration state on its infrared spectrum were investigated both by incubation in atmospheres of fixed relative humidities and by recording serial spectra during the drying process. Significant changes of absorption band positions and shapes were observed. Decomposition of the CN antisymmetric stretching (νas) band in all states was possible with four components whose relative intensities varied with hydration state. These correspond to the solution (1468 cm–1) and dry (1464 cm–1) states and two intermediate (1454 cm–1 and 1443 cm–1) forms that arise from specific urea–water and/or urea–urea interactions. Such intermediate forms of other compounds can also be formed, as demonstrated here with creatinine. Recognition of these states and their accommodation in analyses of materials such as dried urine allows more precise decomposition of spectra so that weaker bands of diagnostic interest can be more accurately defined. PMID:27170705

Monitoring breast cancer treatment using a Fourier transform infrared spectroscopy-based computational model.

PubMed

Depciuch, J; Kaznowska, E; Golowski, S; Koziorowska, A; Zawlik, I; Cholewa, M; Szmuc, K; Cebulski, J

2017-09-05

Breast cancer affects one in four women, therefore, the search for new diagnostic technologies and therapeutic approaches is of critical importance. This involves the development of diagnostic tools to facilitate the detection of cancer cells, which is useful for assessing the efficacy of cancer therapies. One of the major challenges for chemotherapy is the lack of tools to monitor efficacy during the course of treatment. Vibrational spectroscopy appears to be a promising tool for such a purpose, as it yields Fourier transformation infrared (FTIR) spectra which can be used to provide information on the chemical composition of the tissue. Previous research by our group has demonstrated significant differences between the infrared spectra of healthy, cancerous and post-chemotherapy breast tissue. Furthermore, the results obtained for three extreme patient cases revealed that the infrared spectra of post-chemotherapy breast tissue closely resembles that of healthy breast tissue when chemotherapy is effective (i.e., a good therapeutic response is achieved), or that of cancerous breast tissue when chemotherapy is ineffective. In the current study, we compared the infrared spectra of healthy, cancerous and post-chemotherapy breast tissue. Characteristic parameters were designated for the obtained spectra, spreading the function of absorbance using the Kramers-Kronig transformation and the best fit procedure to obtain Lorentz functions, which represent components of the bands. The Lorentz function parameters were used to develop a physics-based computational model to verify the efficacy of a given chemotherapy protocol in a given case. The results obtained using this model reflected the actual patient data retrieved from medical records (health improvement or no improvement). Therefore, we propose this model as a useful tool for monitoring the efficacy of chemotherapy in patients with breast cancer. Copyright © 2017 Elsevier B.V. All rights reserved.

Spatially resolved Spectroscopy of Europa’s Large-scale Compositional Units at 3-4 μm with Keck NIRSPEC

NASA Astrophysics Data System (ADS)

Fischer, P. D.; Brown, M. E.; Trumbo, S. K.; Hand, K. P.

2017-01-01

We present spatially resolved spectroscopic observations of Europa’s surface at 3-4 μm obtained with the near-infrared spectrograph and adaptive optics system on the Keck II telescope. These are the highest quality spatially resolved reflectance spectra of Europa’s surface at 3-4 μm. The observations spatially resolve Europa’s large-scale compositional units at a resolution of several hundred kilometers. The spectra show distinct features and geographic variations associated with known compositional units; in particular, large-scale leading hemisphere chaos shows a characteristic longward shift in peak reflectance near 3.7 μm compared to icy regions. These observations complement previous spectra of large-scale chaos, and can aid efforts to identify the endogenous non-ice species.

Comparison of Newly Acquired Lunar Spectra with the Titanium Abundance Maps Derived from Clementine

NASA Technical Reports Server (NTRS)

Holsclaw, G. M.; McClintock, W. E.; Robinson, M. S.

2005-01-01

The Mercury Atmospheric and Surface Composition Spectrometer (MASCS) is one of seven science instruments onboard NASA's MESSENGER mission, currently en-route to the planet Mercury. One of MASCS s components, referred to as the Visible and Near Infrared Spectrograph (VIRS), will record reflectance spectra of the surface in order to characterize the mineralogy of the planet [1]. The lunar highlands and the average mercurian crust are proposed to be compositionally similar [i.e. 2]. In preparation to interpret VIRS reflectance spectra of Mercury to be first obtained in 2008, the Moon has been observed with an engineering model of the VIRS from a ground-based telescope. In this study, the ultraviolet and visible region of the spectrum is compared with titanium content in the lunar regolith.

A broadband LED source in visible to short-wave-infrared wavelengths for spectral tumor diagnostics

NASA Astrophysics Data System (ADS)

Hayashi, Daiyu; van Dongen, Anne Marie; Boerekamp, Jack; Spoor, Sandra; Lucassen, Gerald; Schleipen, Jean

2017-06-01

Various tumor types exhibit the spectral fingerprints in the absorption and reflection spectra in visible and especially in near- to short-wave-infrared wavelength ranges. For the purpose of spectral tumor diagnostics by means of diffuse reflectance spectroscopy, we developed a broadband light emitting diode (LED) source consisting of a blue LED for optical excitation, Lu3Al5O12:Ce3+,Cr3+ luminescent garnet for visible to near infrared emissions, and Bismuth doped GeO2 luminescent glass for near-infrared to short-wave infrared emissions. It emits broad-band light emissions continuously in 470-1600 nm with a spectral gap at 900-1000 nm. In comparison to the currently available broadband light sources like halogen lamps, high-pressure discharge lamps and super continuum lasers, the light sources of this paper has significant advantages for spectral tissue diagnostics in high-spectral stability, improved light coupling to optical fibers, potential in low light source cost and enabling battery-drive.

Measurement and modelization of silica opal optical properties

NASA Astrophysics Data System (ADS)

Avoine, Amaury; Hong, Phan Ngoc; Frederich, Hugo; Aregahegn, Kifle; Bénalloul, Paul; Coolen, Laurent; Schwob, Catherine; Thu Nga, Pham; Gallas, Bruno; Maître, Agnès

2014-03-01

We present the synthesis process and optical characterization of artificial silica opals. The specular reflection spectra are analyzed and compared to band structure calculations and finite difference time domain (FDTD) simulations. The silica optical index is a key parameter to correctly describe an opal and is usually not known and treated as a free parameter. Here we propose a method to infer the silica index, as well as the silica spheres diameter, from the reflection spectra and we validate it by comparison with two independent infrared methods for the index and, scanning electron microscopy (SEM) and atomic force microscopy (AFM) measurements for the spheres diameter.

Role of hydration and water coordination in micellization of Pluronic block copolymers.

PubMed

Šturcová, Adriana; Schmidt, Pavel; Dybal, Jiří

2010-12-15

Raman, attenuated total reflectance FTIR, near-infrared spectroscopy, and DFT calculations have been used in a study of aqueous solutions of three tri-block copolymers poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide) or PEO-PPO-PEO with commercial names Pluronic PE6200, PE6400 and F68. It is shown that the process of micellization as a response to increased temperature is reflected in the hydroxyl stretching region of infrared and Raman spectra, which contains information both about restructuring of water and changes of polymer chains in polymer/water aggregates. Raman spectra exhibit differences between individual Pluronics even at temperatures below the critical micellization temperature (CMT). According to the attenuated total reflection (ATR) FTIR spectra, the same five water coordination types defined by the number of donated/accepted hydrogen bonds are present in interacting water as in bulk water. It indicates that models considering mixed states of water with different hydrogen bonding environments provide appropriate descriptions of bound water both below and above the CMT. Above the CMT, aggregate hydration increases in the order PE6400 < PE6200 < F68, although that does not fully correspond to the EO/PO ratio, and points to the differences in microstructure of aggregates formed by each copolymer. This study relates nanoscale phenomena (hydrophobic and hydrophilic hydration) with the mesoscale phenomenon of micellization. Copyright © 2010 Elsevier Inc. All rights reserved.

Application of infrared reflection and Raman spectroscopy for quantitative determination of fat in potato chips

NASA Astrophysics Data System (ADS)

Mazurek, Sylwester; Szostak, Roman; Kita, Agnieszka

2016-12-01

Potato chips are important products in the snack industry. The most significant parameter monitored during their quality control process is fat content. The Soxhlet method, which is applied for this purpose, is time consuming and expensive. We demonstrate that both infrared and Raman spectroscopy can effectively replace the extraction method. Raman, mid-infrared (MIR) and near-infrared (NIR) spectra of the homogenised laboratory-prepared chips were recorded. On the basis of obtained spectra, partial least squares (PLS) calibration models were constructed. They were characterised by the values of relative standard errors of prediction (RSEP) in the 1.0-1.9% range for both calibration and validation data sets. Using the developed models, six commercial products were successfully quantified with recovery in the 98.5-102.3% range against the AOAC extraction method. The proposed method for fat quantification in potato chips based on Raman spectroscopy can be easily adopted for on-line product analysis.

First-principles calculations of phonons and Raman and infrared spectra in Cd-IV-N2 compounds

NASA Astrophysics Data System (ADS)

Lyu, Sai; Lambrecht, Walter R. L.

2018-05-01

A first-principles study of the phonons at the zone center in Cd-IV-N2 compounds is presented with IV = Si, Ge, Sn. The calculations are performed for the most likely Pbn21 crystal structure, after showing that it is indeed lower in total energy compared to the closely related Pmc21 structure. The normal mode frequencies are calculated using density functional perturbation theory and symmetry labeled. The longitudinal optical-transverse optical splittings are determined using the Born effective charges which are also reported. These are used to simulate polarized Raman spectra for different scattering configurations as well as the infrared absorption and reflection spectra. The mode frequencies are found to decrease from Si to Ge to Sn as group-IV cation. The spectra show a wide variety of number of prominent peaks and relative intensities in spite of the great similarities of these three materials. Phonon densities of states and their analysis in atom by atom contributions are also reported.

Synegies Between Visible/Near-Infrared Imaging Spectrometry and the Thermal Infrared in an Urban Environment: An Evaluation of the Hyperspectral Infrared Imager (HYSPIRI) Mission

NASA Technical Reports Server (NTRS)

Roberts, Dar A.; Quattrochi, Dale A.; Hulley, Glynn C.; Hook, Simon J.; Green, Robert O.

2012-01-01

A majority of the human population lives in urban areas and as such, the quality of urban environments is becoming increasingly important to the human population. Furthermore, these areas are major sources of environmental contaminants and sinks of energy and materials. Remote sensing provides an improved understanding of urban areas and their impacts by mapping urban extent, urban composition (vegetation and impervious cover fractions), and urban radiation balance through measures of albedo, emissivity and land surface temperature (LST). Recently, the National Research Council (NRC) completed an assessment of remote sensing needs for the next decade (NRC, 2007), proposing several missions suitable for urban studies, including a visible, near-infrared and shortwave infrared (VSWIR) imaging spectrometer and a multispectral thermal infrared (TIR) instrument called the Hyperspectral Infrared Imagery (HyspIRI). In this talk, we introduce the HyspIRI mission, focusing on potential synergies between VSWIR and TIR data in an urban area. We evaluate potential synergies using an Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) and MODIS-ASTER (MASTER) image pair acquired over Santa Barbara, United States. AVIRIS data were analyzed at their native spatial resolutions (7.5m VSWIR and 15m TIR), and aggregated 60 m spatial resolution similar to HyspIRI. Surface reflectance was calculated using ACORN and a ground reflectance target to remove atmospheric and sensor artifacts. MASTER data were processed to generate estimates of spectral emissivity and LST using Modtran radiative transfer code and the ASTER Temperature Emissivity Separation algorithm. A spectral library of common urban materials, including urban vegetation, roofs and roads was assembled from combined AVIRIS and field-measured reflectance spectra. LST and emissivity were also retrieved from MASTER and reflectance/emissivity spectra for a subset of urban materials were retrieved from co-located MASTER and AVIRIS pixels. Fractions of Impervious, Soil, Green Vegetation (GV) and Non-photosynthetic Vegetation (NPV), were estimated using Multiple Endmember Spectral Mixture Analysis (MESMA) applied to AVIRIS data at 7.5, 15 and 60 m spatial scales. Surface energy parameters, including albedo, vegetation cover fraction, broadband emissivity and LST were also determined for urban and natural land-cover classes in the region. Fractions were validated using 1m digital photography.

Spectra of normal and nutrient-deficient maize leaves

NASA Technical Reports Server (NTRS)

Al-Abbas, A. H.; Barr, R.; Hall, J. D.; Crane, F. L.; Baumgardner, M. F.

1973-01-01

Reflectance, transmittance and absorptance spectra of normal and six types of nutrient-deficient (N, P, K, S, Mg, and Ca) maize (Zea mays L.) leaves were analyzed at 30 selected wavelengths from 500 to 2600 nm. The analysis of variance showed significant differences in reflectance, transmittance and absorptance in the visible wavelengths among leaf numbers 3, 4, and 5, among the seven treatments, and among the interactions of leaf number and treatments. In the infrared wavelengths only treatments produced significant differences. The chlorophyll content of leaves was reduced in all nutrient-deficient treatments. Percent moisture was increased in S-, Mg-, and N-deficiencies. Polynomial regression analysis of leaf thickness and leaf moisture content showed that these two variables were significantly and directly related. Leaves from the P- and Ca-deficient plants absorbed less energy in the near infrared than the normal plants; S-, Mg-, K-, and N-deficient leaves absorbed more than the normal. Both S- and N-deficient leaves had higher temperatues than normal maize leaves.

Capabilities and limitations of handheld Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS) for the analysis of colourants and binders in 20th-century reverse paintings on glass

NASA Astrophysics Data System (ADS)

Steger, Simon; Stege, Heike; Bretz, Simone; Hahn, Oliver

2018-04-01

A non-invasive method has been carried out to show the capabilities and limitations of Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS) for identifying of colourants and binders in modern reverse glass paintings. For this purpose, the reverse glass paintings "Zwei Frauen am Tisch" (1920-22), "Bäume" (1946) (both by Heinrich Campendonk), "Lofoten" (1933) (Edith Campendonk-van Leckwyck) and "Ohne Titel" (1954) (Marianne Uhlenhuth), were measured. In contrast to other techniques (e.g. panel and mural painting), the paint layers are applied in reverse succession. In multi-layered paint systems, the front paint layer may no longer be accessible. The work points out the different spectral appearance of a given substance (gypsum, basic lead white) in reverse glass paintings. However, inverted bands, band overlapping and derivative-shaped spectral features can be interpreted by comparing the spectra from the paintings with spectra from pure powders and pigment/linseed oil mock-ups. Moreover, the work focuses on this method's capabilities in identifying synthetic organic pigments (SOP). Reference spectra of three common SOP (PG7, PY1, PR83) were obtained from powders and historical colour charts. We identified PR83 and PY1 in two reverse glass paintings, using the measured reference spectra. The recorded DRIFTS spectra of pure linseed oil, gum Arabic, mastic, polyvinyl acetate resin and bees wax can be used to classify the binding media of the measured paintings.

Nanostructured diamond layers enhance the infrared spectroscopy of biomolecules.

PubMed

Kozak, Halyna; Babchenko, Oleg; Artemenko, Anna; Ukraintsev, Egor; Remes, Zdenek; Rezek, Bohuslav; Kromka, Alexander

2014-03-04

We report on the fabrication and practical use of high-quality optical elements based on Au mirrors coated with diamond layers with flat, nanocolumnar, and nanoporous morphologies. Diamond layers (100 nm thickness) are grown at low temperatures (about 300 °C) from a methane, carbon dioxide, and hydrogen gas mixture by a pulsed microwave plasma system with linear antennas. Using grazing angle reflectance (GAR) Fourier transform infrared spectroscopy with p-polarized light, we compare the IR spectra of fetal bovine serum proteins adsorbed on diamond layers with oxidized (hydrophilic) surfaces. We show that the nanoporous diamond layers provide IR spectra with a signal gain of about 600% and a significantly improved sensitivity limit. This is attributed to its enhanced internal surface area. The improved sensitivity enabled us to distinguish weak infrared absorption peaks of <10-nm-thick protein layers and thereby to analyze the intimate diamond-molecule interface.

The impacts of environmental variables on water reflectance measured using a lightweight unmanned aerial vehicle (UAV)-based spectrometer system

NASA Astrophysics Data System (ADS)

Zeng, Chuiqing; Richardson, Murray; King, Douglas J.

2017-08-01

Remote sensing methods to study spatial and temporal changes in water quality using satellite or aerial imagery are limited by the inherently low reflectance signal of water across the visible and near infrared spectrum, as well as environmental variables such as surface scattering effects (sun glint), substrate and aquatic vegetation reflectance, and atmospheric effects. This study exploits the low altitude, high-resolution remote sensing capabilities of unmanned aerial vehicle (UAV) platforms to examine the major environmental variables that affect water reflectance acquisition, without the confounding influence of atmospheric effects typical of higher-altitude platforms. After observation and analysis, we found: (1) multiple water spectra measured at the same location had a standard deviation of 10.4%; (2) water spectra changes associated with increasing altitude from 20 m to 100 m were negligible; (3) the difference between mean reflectance at three off-shore locations in an urban water body reached 29.9%; (4) water bottom visibility increased water reflectance by 20.1% in near shore areas compared to deep water spectra in a clear water lake; (5) emergent plants caused the water spectra to shift towards a shape that is characteristic of vegetation, whereas submerged vegetation showed limited effect on water spectra in the studied lake; (6) cloud and sun glint had major effects and caused water spectra to change abruptly; while glint and shadow effects on spectra may balance each other under certain conditions, the water reflectance can also be unpredictable at times due to wave effects and their effects on lines-of-site to calm water; (7) water spectra collected under a variety of different conditions (e.g. multiple locations, waves) resulted in weaker regression models compared to spectra collected under ideal conditions (e.g. single location, no wave), although the resulting model coefficients were relatively stable. The methods and results from this study contribute to better understanding of water reflectance acquisition using remote sensing, and can be applied in UAV-based water quality assessment or to aid in validation of higher altitude imagery.

Coherent backscattering effect in spectra of icy satellites and its modeling using multi-sphere T-matrix (MSTM) code for layers of particles

NASA Astrophysics Data System (ADS)

Pitman, Karly M.; Kolokolova, Ludmilla; Verbiscer, Anne J.; Mackowski, Daniel W.; Joseph, Emily C. S.

2017-12-01

The coherent backscattering effect (CBE), the constructive interference of light scattering in particulate surfaces (e.g., regolith), manifests as a non-linear increase in reflectance, or opposition surge, and a narrow negative polarization feature at small solar phase angles. Due to a strong dependence of the amplitude and angular width of this opposition surge on the absorptive characteristics of the surface material, CBE also produces phase-angle-dependent variations in the near-infrared spectra. In this paper we present a survey of such variations in the spectra of icy satellites of Saturn obtained by the Cassini spacecraft's Visual and Infrared Mapping Spectrometer (VIMS) and in the ground-based spectra of Oberon, a satellite of Uranus, obtained with TripleSpec, a cross-dispersed near-infrared spectrometer on the Astrophysical Research Consortium 3.5-m telescope located at the Apache Point Observatory near Sunspot, New Mexico. The paper also presents computer modeling of the saturnian satellite spectra and their phase-angle variations using the most recent version of the Multi-Sphere T-Matrix (MSTM) code developed to simulate light scattering by layers of randomly distributed spherical particles. The modeling allowed us not only to reproduce the observed effects but also to estimate characteristics of the icy particles that cover the surfaces of Rhea, Dione, and Tethys.

Near infrared reflectance spectroscopy studies of Chinese giant salamanders in aquaculture production

USDA-ARS?s Scientific Manuscript database

NIR spectra were collected at three surface locations for Chinese giant salamanders to ascertain whether spectral signatures could be separated by anatomical, presumably physiologically-based, locations. The first location was the smooth area immediately above the cloaca on the animal’s abdomen, whi...

Relation of agronomic and multispectral reflectance characteristics of spring wheat canopies

NASA Technical Reports Server (NTRS)

Bauer, M. E. (Principal Investigator); Ahlrichs, J. S.

1982-01-01

The relationships between crop canopy variables such as leaf area index (LAI) and their multispectral reflectance properties were investigated along with the potential for estimating canopy variables from remotely sensed reflectance measurements. Reflectance spectra over the 0.4 to 2.5 micron wavelength range were acquired during each of the major development stages of spring wheat canopies at Williston, North Dakota, during three seasons. Treatments included planting date, N fertilization, cultivar, and soil moisture. Agronomic measurements included development stage, biomass, LAI, and percent soil cover. High correlations were found between reflectance and percent cover, LAI, and biomass. A near infrared wavelength band, 0.76 to 0.90 microns, was most important in explaining variation in LAI and percent cover, while a middle infrared band, 2.08 to 2.35 microns, explained the most variation in biomass and plant water content. Transformations, including the near infrared/red reflectance ratio and greenness index, were also highly correlated to canopy variables. The relationship of canopy variables to reflectance decreased as the crop began to ripen. the canopy variables could be accurately predicted using measurements from three to five wavelength bands. The wavelength bands proposed for the thematic mapper sensor were more strongly related to the canopy variables than the LANDSAT MSS bands.

Spatial mapping of electronic states in κ-(BEDT-TTF)2X using infrared reflectivity

PubMed Central

Sasaki, Takahiko; Yoneyama, Naoki

2009-01-01

We review our recent work on spatial inhomogeneity of the electronic states in the strongly correlated molecular conductors κ-(BEDT-TTF)2X. Spatial mapping of infrared spectra (SMIS) is used for imaging the distribution of the local electronic states. In molecular materials, the infrared response of the specific molecular vibration mode with a strong electron–molecular vibration coupling can reflect the electronic states via the change in the vibration frequency. By spatially mapping the frequency shift of the molecular vibration mode, an electronic phase separation has been visualized near the first-order Mott transition in the bandwidth-controlled organic conductor κ-(BEDT-TTF)2Cu[N(CN)2]Br. In addition to reviewing SMIS of the phase separation, we briefly mention the electronic and optical properties of κ-(BEDT-TTF)2X. PMID:27877279

SPATIALLY RESOLVED SPECTROSCOPY OF EUROPA’S LARGE-SCALE COMPOSITIONAL UNITS AT 3–4 μ m WITH KECK NIRSPEC

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fischer, P. D.; Brown, M. E.; Trumbo, S. K.

2017-01-01

We present spatially resolved spectroscopic observations of Europa’s surface at 3–4 μ m obtained with the near-infrared spectrograph and adaptive optics system on the Keck II telescope. These are the highest quality spatially resolved reflectance spectra of Europa’s surface at 3–4 μ m. The observations spatially resolve Europa’s large-scale compositional units at a resolution of several hundred kilometers. The spectra show distinct features and geographic variations associated with known compositional units; in particular, large-scale leading hemisphere chaos shows a characteristic longward shift in peak reflectance near 3.7 μ m compared to icy regions. These observations complement previous spectra of large-scalemore » chaos, and can aid efforts to identify the endogenous non-ice species.« less

Measurements of thermal infrared spectral reflectance of frost, snow, and ice

NASA Technical Reports Server (NTRS)

Salisbury, John W.; D'Aria, Dana M.; Wald, Andrew

1994-01-01

Because much of Earth's surface is covered by frost, snow, and ice, the spectral emissivities of these materials are a significant input to radiation balance calculations in global atmospheric circulation and climate change models. Until now, however, spectral emissivities of frost and snow have been calculated from the optical constants of ice. We have measured directional hemispherical reflectance spectra of frost, snow, and ice from which emissivities can be predicted using Kirchhoff's law (e = 1-R). These measured spectra show that contrary to conclusions about the emissivity of snow drawn from previously calculated spectra, snow emissivity departs significantly from blackbody behavior in the 8-14 micrometer region of the spectrum; snow emissivity decreases with both increasing particle size and increasing density due to packing or grain welding; while snow emissivity increases due to the presence of meltwater.

IRAS Low Resolution Spectra of Asteroids

NASA Technical Reports Server (NTRS)

Cohen, Martin; Walker, Russell G.

2002-01-01

Optical/near-infrared studies of asteroids are based on reflected sunlight and surface albedo variations create broad spectral features, suggestive of families of materials. There is a significant literature on these features, but there is very little work in the thermal infrared that directly probes the materials emitting on the surfaces of asteroids. We have searched for and extracted 534 thermal spectra of 245 asteroids from the original Dutch (Groningen) archive of spectra observed by the IRAS Low Resolution Spectrometer (LRS). We find that, in general, the observed shapes of the spectral continua are inconsistent with that predicted by the standard thermal model used by IRAS. Thermal models such as proposed by Harris (1998) and Harris et al.(1998) for the near-earth asteroids with the "beaming parameter" in the range of 1.0 to 1.2 best represent the observed spectral shapes. This implies that the IRAS Minor Planet Survey (IMPS, Tedesco, 1992) and the Supplementary IMPS (SIMPS, Tedesco, et al., 2002) derived asteroid diameters are systematically underestimated, and the albedos are overestimated. We have tentatively identified several spectral features that appear to be diagnostic of at least families of materials. The variation of spectral features with taxonomic class hints that thermal infrared spectra can be a valuable tool for taxonomic classification of asteroids.

Calibration and Vegetation Field Spectra Collection for the 2000 AVIRIS Hawaii Deployment

NASA Technical Reports Server (NTRS)

Dennison, Philip E.; Gardner, Margaret E.; Roberts, Dar A.; Green, Robert O.

2001-01-01

As part of the April 2000 Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) Hawaii deployment, two researchers from the University of California, Santa Barbara, were sent to Hawaii to collect supporting field data. The primary goal of the fieldwork was to obtain spectra of bright targets to be used for retrieving surface reflectance from AVIRIS imagery. Secondary goals included recording the spectra of dominant vegetation, marking the position of homogeneous land cover for use as potential image endmembers (PIEs), and recording firsthand impressions of cover types. Primary and secondary goals were met. Spectra were recorded for 12 calibration targets on 5 islands and spectra were obtained for 61 vegetation species. Twenty PIEs were located, and video was used to document cover at 56 locations.

Analysis of remote reflectin spectroscopy to monitor plant health

NASA Technical Reports Server (NTRS)

Woodhouse, R.; Heeb, M.; Berry, W.; Hoshizaki, T.; Wood, M.

1994-01-01

Remote non-contact reflection spectroscopy is examined as a method for detecting stress in Controlled Ecological Life Support System (CELSS) type crops. Lettuce (Latuca Sativa L. cv. Waldmans Green) and wheat (Triticum Aestivum L. cv. Yecora Rojo) were grown hydroponically. Copper and zinc treatments provided toxic conditions. Nitrogen, phosphorous, and potassium treatments were used for deficiency conditions. Water stress was also induced in test plants. Reflectance spectra were obtained in the visible and near infrared (400nm to 2600nm) wavebands. Numerous effects of stress conditions can be observed in the collected spectra and this technique appears to have promise as a remote monitor of plant health, but significant research remains to be conducted to realize the promise.

Spatial assessment of soluble solid contents on apple slices using hyperspectral imaging

USDA-ARS?s Scientific Manuscript database

A partial least squares regression (PLSR) model to map internal soluble solids content (SSC) of apples using visible/near-infrared (VNIR) hyperspectral imaging was developed. The reflectance spectra of sliced apples were extracted from hyperspectral absorbance images obtained in the 400e1000 nm rang...

Fourier emission infrared microspectrophotometer for surface analysis. I - Application to lubrication problems

NASA Technical Reports Server (NTRS)

Lauer, J. L.; King, V. W.

1979-01-01

A far-infrared interferometer was converted into an emission microspectrophotometer for surface analysis. To cover the mid-infrared as well as the far-infrared the Mylar beamsplitter was made replaceable by a germanium-coated salt plate, and the Moire fringe counting system used to locate the moveable Michelson mirror was improved to read 0.5 micron of mirror displacement. Digital electronics and a dedicated minicomputer were installed for data collection and processing. The most critical element for the recording of weak emission spectra from small areas was, however, a reflecting microscope objective and phase-locked signal detection with simultaneous referencing to a blackbody source. An application of the technique to lubrication problems is shown.

Effects of the Hydration State on the Mid-Infrared Spectra of Urea and Creatinine in Relation to Urine Analyses.

PubMed

Oliver, Katherine V; Maréchal, Amandine; Rich, Peter R

2016-06-01

When analyzing solutes by Fourier transform infrared (FT-IR) spectroscopy in attenuated total reflection (ATR) mode, drying of samples onto the ATR crystal surface can greatly increase solute band intensities and, therefore, aid detection of minor components. However, analysis of such spectra is complicated by the existence of alternative partial hydration states of some substances that can significantly alter their infrared signatures. This is illustrated here with urea, which is a dominant component of urine. The effects of hydration state on its infrared spectrum were investigated both by incubation in atmospheres of fixed relative humidities and by recording serial spectra during the drying process. Significant changes of absorption band positions and shapes were observed. Decomposition of the CN antisymmetric stretching (νas) band in all states was possible with four components whose relative intensities varied with hydration state. These correspond to the solution (1468 cm(-1)) and dry (1464 cm(-1)) states and two intermediate (1454 cm(-1) and 1443 cm(-1)) forms that arise from specific urea-water and/or urea-urea interactions. Such intermediate forms of other compounds can also be formed, as demonstrated here with creatinine. Recognition of these states and their accommodation in analyses of materials such as dried urine allows more precise decomposition of spectra so that weaker bands of diagnostic interest can be more accurately defined. © The Author(s) 2016.

Application of class-modelling techniques to infrared spectra for analysis of pork adulteration in beef jerkys.

PubMed

Kuswandi, Bambang; Putri, Fitra Karima; Gani, Agus Abdul; Ahmad, Musa

2015-12-01

The use of chemometrics to analyse infrared spectra to predict pork adulteration in the beef jerky (dendeng) was explored. In the first step, the analysis of pork in the beef jerky formulation was conducted by blending the beef jerky with pork at 5-80 % levels. Then, they were powdered and classified into training set and test set. The second step, the spectra of the two sets was recorded by Fourier Transform Infrared (FTIR) spectroscopy using atenuated total reflection (ATR) cell on the basis of spectral data at frequency region 4000-700 cm(-1). The spectra was categorised into four data sets, i.e. (a) spectra in the whole region as data set 1; (b) spectra in the fingerprint region (1500-600 cm(-1)) as data set 2; (c) spectra in the whole region with treatment as data set 3; and (d) spectra in the fingerprint region with treatment as data set 4. The third step, the chemometric analysis were employed using three class-modelling techniques (i.e. LDA, SIMCA, and SVM) toward the data sets. Finally, the best result of the models towards the data sets on the adulteration analysis of the samples were selected and the best model was compared with the ELISA method. From the chemometric results, the LDA model on the data set 1 was found to be the best model, since it could classify and predict 100 % accuracy of the sample tested. The LDA model was applied toward the real samples of the beef jerky marketed in Jember, and the results showed that the LDA model developed was in good agreement with the ELISA method.

Note: Modification of an FTIR spectrometer for optoelectronic characterizations.

PubMed

Puspitosari, N; Longeaud, C

2017-08-01

We propose a very simple system to be adapted to a Fourier Transform Infra-Red (FTIR) spectrometer with which three different types of characterizations can be done: the Fourier transform photocurrent spectroscopy, the recording of reflection-transmission spectra of thin film semiconductors, and the acquisition of spectral responses of solar cells. In addition to gather three techniques into a single apparatus, this FTIR-based system also significantly reduces the recording time and largely improves the resolution of the measured spectra compared to standard equipments.

Note: Modification of an FTIR spectrometer for optoelectronic characterizations

NASA Astrophysics Data System (ADS)

Puspitosari, N.; Longeaud, C.

2017-08-01

We propose a very simple system to be adapted to a Fourier Transform Infra-Red (FTIR) spectrometer with which three different types of characterizations can be done: the Fourier transform photocurrent spectroscopy, the recording of reflection-transmission spectra of thin film semiconductors, and the acquisition of spectral responses of solar cells. In addition to gather three techniques into a single apparatus, this FTIR-based system also significantly reduces the recording time and largely improves the resolution of the measured spectra compared to standard equipments.

Experimental Effects on IR Reflectance Spectra: Particle Size and Morphology

DOE Office of Scientific and Technical Information (OSTI.GOV)

Beiswenger, Toya N.; Myers, Tanya L.; Brauer, Carolyn S.

For geologic and extraterrestrial samples it is known that both particle size and morphology can have strong effects on the species’ infrared reflectance spectra. Due to such effects, the reflectance spectra cannot be predicted from the absorption coefficients alone. This is because reflectance is both a surface as well as a bulk phenomenon, incorporating both dispersion as well as absorption effects. The same spectral features can even be observed as either a maximum or minimum. The complex effects depend on particle size and preparation, as well as the relative amplitudes of the optical constants n and k, i.e. the realmore » and imaginary components of the complex refractive index. While somewhat oversimplified, upward-going amplitude in the reflectance spectrum usually result from surface scattering, i.e. rays that have been reflected from the surface without penetration, whereas downward-going peaks are due to either absorption or volume scattering, i.e. rays that have penetrated or refracted into the sample interior and are not reflected. While the effects are well known, we report seminal measurements of reflectance along with quantified particle size of the samples, the sizing obtained from optical microscopy measurements. The size measurements are correlated with the reflectance spectra in the 1.3 – 16 micron range for various bulk materials that have a combination of strong and weak absorption bands in order to understand the effects on the spectral features as a function of the mean grain size of the sample. We report results for both sodium sulfate Na2SO4 as well as ammonium sulfate (NH4)2SO4; the optical constants have been measured for (NH4)2SO4. To go a step further from the field to the laboratory we explore our understanding of particle size effects on reflectance spectra in the field using standoff detection. This has helped identify weaknesses and strengths in detection using standoff distances of up 160 meters away from the Target. The studies have shown that particle size has an enormous influence on the measured reflectance spectra of such materials; successful identification requires sufficient, representative reflectance data to include the particle sizes of interest.« less

Determining moisture content in pasta by vibrational spectroscopy.

PubMed

Czaja, Tomasz; Kuzawińska, Ewelina; Sobota, Aldona; Szostak, Roman

2018-02-01

Pasta aside from bread is the most consumed cereal-based product in the world. Its taste and cooking ease makes it the basis of many cuisines. The pasta dough formed by mixing flour and water is extruded through an extrusion die to mould the appropriate pasta form and is dried to obtain a stable product. The concentration of moisture in the pasta dough is a one of key parameters determining the final quality of the product. Monitoring the moisture content of pasta after extrusion is also critically important. It enables a selection of suitable drying conditions that ensure the appropriate parameters of pasta, such as texture, color and taste, are met. A method for the quantitative determination of moisture content in pasta dough and in pasta based on the partial least squares treatment of infrared spectra registered using a single-reflection attenuated total reflectance diamond accessory is described. Results of a similar quality were found using models derived from near infrared spectra obtained in a diffuse reflectance mode and slightly worse based on Raman spectra. Relative standard errors of prediction calculated for moisture quantification by ATR/NIR/Raman techniques amounted to 2.54/3.16/5.56% and 2.15/3.32/5.67%, for calibration and validation sets, respectively. The proposed procedures can be used for fast and efficient pasta moisture quantification and may replace the current, more laborious methods used. Copyright © 2017 Elsevier B.V. All rights reserved.

Infrared (2.08-14 micron) spectra of powered stony meteorites

NASA Technical Reports Server (NTRS)

Salisbury, J. W.; Daria, D. M.; Jarosewich, E.

1991-01-01

Infrared biconical reflectance spectra of 60 powdered meteorite samples, representing 50 different stony meteorites, were measured as analogues of asteroidal regolith. Representative samples were measured in directional hemispherical reflectance to assure that Kirchhoff's Law can be used to predict relative emissivity from the reflectance spectra. These spectral data confirm that the O-H fundamental absorption band near 2.9 microns is an extremely sensitive indicator of incipient alteration, which often has taken place in powdered meteorite samples exposed only to water vapor in the air. Such non-carbonaceous samples typically contain less than 1 percent water by weight. Likewise, the C-H fundamental absorption bands near 3.4 and 3.5 microns are equally sensitive indicators of contamination with volatile hydrocarbons, which can also be absorbed from the air. The heavy, macromolecular hydrocarbons native to chondrites do not display such heavy bands, making detection of these bands in remote sensing of asteroids unlikely. Despite the spectral artifacts introduced by alteration and hydrocarbon contamination, powdered stony meteorites display a wide variety of real spectral features that can be used for their identification, including residual reststrahlen bands, absorption bands, and the Christiansen feature. Researchers found that the wavelengths of the peaks or troughs of each of these spectral features can be used independently to infer meteorite composition, but the best results are obtained when the entire spectral curve is used, or at least the portion of it encompassed by the 8 to 14 micron atmospheric window, in a digital search library.

Attenuated Total Reflection Mid-Infrared (ATR-MIR) Spectroscopy and Chemometrics for the Identification and Classification of Commercial Tannins.

PubMed

Ricci, Arianna; Parpinello, Giuseppina P; Olejar, Kenneth J; Kilmartin, Paul A; Versari, Andrea

2015-11-01

Attenuated total reflection Fourier transform infrared (FT-IR) spectroscopy was used to characterize 40 commercial tannins, including condensed and hydrolyzable chemical classes, provided as powder extracts from suppliers. Spectral data were processed to detect typical molecular vibrations of tannins bearing different chemical groups and of varying botanical origin (univariate qualitative analysis). The mid-infrared region between 4000 and 520 cm(-1) was analyzed, with a particular emphasis on the vibrational modes in the fingerprint region (1800-520 cm(-1)), which provide detailed information about skeletal structures and specific substituents. The region 1800-1500 cm(-1) contained signals due to hydrolyzable structures, while bands due to condensed tannins appeared at 1300-900 cm(-1) and exhibited specific hydroxylation patterns useful to elucidate the structure of the flavonoid monomeric units. The spectra were investigated further using principal component analysis for discriminative purposes, to enhance the ability of infrared spectroscopy in the classification and quality control of commercial dried extracts and to enhance their industrial exploitation.

Infrared Studies of the Reflective Properties of Solar Cells and the HS376 Spacecraft

NASA Technical Reports Server (NTRS)

Frith, James; Reyes, Jacqueline; Cowardin, Heather; Anz-Meador, Phillip; Buckalew, Brent; Lederer, Susan

2016-01-01

In 2015, a selection of HS-376 buses were observed photometrically with the United Kingdom Infrared Telescope (UKIRT) to explore relationships between time-on-orbit and Near Infrared (NIR) color. These buses were chosen because of their relatively simple shape, for the abundance of similar observable targets, and their surface material being primarily covered by solar cells. While the HS-376 spacecraft were all very similar in design, differences in the specific solar cells used in the construction of each model proved to be an unconstrained variable that could affect the observed reflective properties. In 2016, samples of the solar cells used on various models of HS-376 spacecraft were obtained from Boeing and were analyzed in the Optical Measurements Center at the Johnson Space Center using a visible-near infrared field spectrometer. The laboratory-based spectra are convolved to match the photometric bands previously obtained using UKIRT and compared with the on-orbit photometry. The results and future work are discussed here.

Discerning some Tylenol brands using attenuated total reflection Fourier transform infrared data and multivariate analysis techniques.

PubMed

Msimanga, Huggins Z; Ollis, Robert J

2010-06-01

Principal component analysis (PCA) and partial least squares discriminant analysis (PLS-DA) were used to classify acetaminophen-containing medicines using their attenuated total reflection Fourier transform infrared (ATR-FT-IR) spectra. Four formulations of Tylenol (Arthritis Pain Relief, Extra Strength Pain Relief, 8 Hour Pain Relief, and Extra Strength Pain Relief Rapid Release) along with 98% pure acetaminophen were selected for this study because of the similarity of their spectral features, with correlation coefficients ranging from 0.9857 to 0.9988. Before acquiring spectra for the predictor matrix, the effects on spectral precision with respect to sample particle size (determined by sieve size opening), force gauge of the ATR accessory, sample reloading, and between-tablet variation were examined. Spectra were baseline corrected and normalized to unity before multivariate analysis. Analysis of variance (ANOVA) was used to study spectral precision. The large particles (35 mesh) showed large variance between spectra, while fine particles (120 mesh) indicated good spectral precision based on the F-test. Force gauge setting did not significantly affect precision. Sample reloading using the fine particle size and a constant force gauge setting of 50 units also did not compromise precision. Based on these observations, data acquisition for the predictor matrix was carried out with the fine particles (sieve size opening of 120 mesh) at a constant force gauge setting of 50 units. After removing outliers, PCA successfully classified the five samples in the first and second components, accounting for 45.0% and 24.5% of the variances, respectively. The four-component PLS-DA model (R(2)=0.925 and Q(2)=0.906) gave good test spectra predictions with an overall average of 0.961 +/- 7.1% RSD versus the expected 1.0 prediction for the 20 test spectra used.

Infrared Spectroscopy of Hydrogen in Fullerite and MOF-5 Hosts

NASA Astrophysics Data System (ADS)

Fitzgerald, Stephen; Churchill, Hugh; Korngut, Phil; Simmons, Christie; Strangas, Yorgos

2006-03-01

We present a novel use of diffuse reflectance infrared spectroscopy to study the quantum dynamics of hydrogen molecules trapped within a host material. This technique is particularly useful for the study of hydrogen storage materials since it provides detailed information about the intermolecular potential at the binding site. Because H2 has no intrinsic infrared activity any observed features arise solely through interaction with the host material and as such are very sensitive to the symmetry of the binding site. The drawback is that the induced spectra are quite weak. However, a technique based on diffuse reflectance has been shown to produce a sufficiently large signal [1]. We have now constructed a cryogenic system that allows spectra to be obtained in this manner at pressures as high as 100 atm. and at temperatures as low as 10 K. Data will be presented for H2 in both C60 and MOF-5 showing a series of absorption features arising from the quantized vibrational, rotational, and translational motion of the trapped H2. At the lowest temperature these peaks become quite sharp, FWHM less than 1 cm-1, with a detailed fine structure arising from the H2 host interactions. 1. S. A. FitzGerald et al., Phys. Rev. B 65, 140302. (2002)

Identification of fungal phytopathogens using Fourier transform infrared-attenuated total reflection spectroscopy and advanced statistical methods

NASA Astrophysics Data System (ADS)

Salman, Ahmad; Lapidot, Itshak; Pomerantz, Ami; Tsror, Leah; Shufan, Elad; Moreh, Raymond; Mordechai, Shaul; Huleihel, Mahmoud

2012-01-01

The early diagnosis of phytopathogens is of a great importance; it could save large economical losses due to crops damaged by fungal diseases, and prevent unnecessary soil fumigation or the use of fungicides and bactericides and thus prevent considerable environmental pollution. In this study, 18 isolates of three different fungi genera were investigated; six isolates of Colletotrichum coccodes, six isolates of Verticillium dahliae and six isolates of Fusarium oxysporum. Our main goal was to differentiate these fungi samples on the level of isolates, based on their infrared absorption spectra obtained using the Fourier transform infrared-attenuated total reflection (FTIR-ATR) sampling technique. Advanced statistical and mathematical methods: principal component analysis (PCA), linear discriminant analysis (LDA), and k-means were applied to the spectra after manipulation. Our results showed significant spectral differences between the various fungi genera examined. The use of k-means enabled classification between the genera with a 94.5% accuracy, whereas the use of PCA [3 principal components (PCs)] and LDA has achieved a 99.7% success rate. However, on the level of isolates, the best differentiation results were obtained using PCA (9 PCs) and LDA for the lower wavenumber region (800-1775 cm-1), with identification success rates of 87%, 85.5%, and 94.5% for Colletotrichum, Fusarium, and Verticillium strains, respectively.

Computed tomography imaging spectrometer (CTIS) with 2D reflective grating for ultraviolet to long-wave infrared detection especially useful for surveying transient events

NASA Technical Reports Server (NTRS)

Muller, Richard E. (Inventor); Mouroulis, Pantazis Z. (Inventor); Maker, Paul D. (Inventor); Wilson, Daniel W. (Inventor)

2003-01-01

The optical system of this invention is an unique type of imaging spectrometer, i.e. an instrument that can determine the spectra of all points in a two-dimensional scene. The general type of imaging spectrometer under which this invention falls has been termed a computed-tomography imaging spectrometer (CTIS). CTIS's have the ability to perform spectral imaging of scenes containing rapidly moving objects or evolving features, hereafter referred to as transient scenes. This invention, a reflective CTIS with an unique two-dimensional reflective grating, can operate in any wavelength band from the ultraviolet through long-wave infrared. Although this spectrometer is especially useful for rapidly occurring events it is also useful for investigation of some slow moving phenomena as in the life sciences.

Rapid intra-operative diagnosis of kidney cancer by attenuated total reflection infrared spectroscopy of tissue smears.

PubMed

Pucetaite, Milda; Velicka, Martynas; Urboniene, Vidita; Ceponkus, Justinas; Bandzeviciute, Rimante; Jankevicius, Feliksas; Zelvys, Arunas; Sablinskas, Valdas; Steiner, Gerald

2018-05-01

Herein, a technique to analyze air-dried kidney tissue impression smears by means of attenuated total reflection infrared (ATR-IR) spectroscopy is presented. Spectral tumor markers-absorption bands of glycogen-are identified in the ATR-IR spectra of the kidney tissue smear samples. Thin kidney tissue cryo-sections currently used for IR spectroscopic analysis lack such spectral markers as the sample preparation causes irreversible molecular changes in the tissue. In particular, freeze-thaw cycle results in degradation of the glycogen and reduction or complete dissolution of its content. Supervised spectral classification was applied to the recorded spectra of the smears and the test spectra were classified with a high accuracy of 92% for normal tissue and 94% for tumor tissue, respectively. For further development, we propose that combination of the method with optical fiber ATR probes could potentially be used for rapid real-time intra-operative tissue analysis without interfering with either the established protocols of pathological examination or the ordinary workflow of operating surgeon. Such approach could ensure easier transition of the method to clinical applications where it may complement the results of gold standard histopathology examination and aid in more precise resection of kidney tumors. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Capabilities and limitations of handheld Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS) for the analysis of colourants and binders in 20th-century reverse paintings on glass.

PubMed

Steger, Simon; Stege, Heike; Bretz, Simone; Hahn, Oliver

2018-04-15

A non-invasive method has been carried out to show the capabilities and limitations of Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS) for identifying of colourants and binders in modern reverse glass paintings. For this purpose, the reverse glass paintings "Zwei Frauen am Tisch" (1920-22), "Bäume" (1946) (both by Heinrich Campendonk), "Lofoten" (1933) (Edith Campendonk-van Leckwyck) and "Ohne Titel" (1954) (Marianne Uhlenhuth), were measured. In contrast to other techniques (e.g. panel and mural painting), the paint layers are applied in reverse succession. In multi-layered paint systems, the front paint layer may no longer be accessible. The work points out the different spectral appearance of a given substance (gypsum, basic lead white) in reverse glass paintings. However, inverted bands, band overlapping and derivative-shaped spectral features can be interpreted by comparing the spectra from the paintings with spectra from pure powders and pigment/linseed oil mock-ups. Moreover, the work focuses on this method's capabilities in identifying synthetic organic pigments (SOP). Reference spectra of three common SOP (PG7, PY1, PR83) were obtained from powders and historical colour charts. We identified PR83 and PY1 in two reverse glass paintings, using the measured reference spectra. The recorded DRIFTS spectra of pure linseed oil, gum Arabic, mastic, polyvinyl acetate resin and bees wax can be used to classify the binding media of the measured paintings. Copyright © 2018 Elsevier B.V. All rights reserved.

Discrimination of active and inactive sand from remote sensing - Kelso dunes, Mojave Desert, California

NASA Technical Reports Server (NTRS)

Paisley, Elizabeth C. I.; Lancaster, Nicholas; Gaddis, Lisa R.; Greeley, Ronald

1991-01-01

Landsat TM images, field data, and laboratoray reflectance spectra were examined for the Kelso dunes, Mojave Desert, California to assess the use of visible and near-infrared (VNIR) remote sensing data to discriminate aeolian sand populations on the basis of spectral brightness. Results show that areas of inactive sand have a larger percentage of dark, fine-grained materials compared to those composed of active sand, which contain less dark fines and a higher percentage of quartz sand-size grains. Both areas are spectrally distinct in the VNIR, suggesting that VNIR spectral data can be used to discriminate active and inactive sand populations in the Mojave Desert. Analysis of laboratory spectra was complicated by the presence of magnetite in the active sands, which decreases their laboratory reflectance values to those of inactive sands. For this application, comparison of TM and laboratory spectra suggests that less than 35 percent vegetation cover does not influence the TM spectra.

Infrared spectroscopy as a screening technique for colitis

NASA Astrophysics Data System (ADS)

Titus, Jitto; Ghimire, Hemendra; Viennois, Emilie; Merlin, Didier; Perera, A. G. Unil

2017-05-01

There remains a great need for diagnosis of inflammatory bowel disease (IBD), for which the current technique, colonoscopy, is not cost-effective and presents a non-negligible risk for complications. Attenuated Total Reflectance Fourier Transform Infrared (ATR-FTIR) spectroscopy is a new screening technique to evaluate colitis. Comparing infrared spectra of sera to study the differences between them can prove challenging due to the complexity of its biological constituents giving rise to a plethora of vibrational modes. Overcoming these inherent infrared spectral analysis difficulties involving highly overlapping absorbance peaks and the analysis of the data by curve fitting to improve the resolution is discussed. The proposed technique uses colitic and normal wild type mice dried serum to obtain ATR/FTIR spectra to effectively differentiate colitic mice from normal mice. Using this method, Amide I group frequency (specifically, alpha helix to beta sheet ratio of the protein secondary structure) was identified as disease associated spectral signature in addition to the previously reported glucose and mannose signatures in sera of chronic and acute mice models of colitis. Hence, this technique will be able to identify changes in the sera due to various diseases.

Effects of breed, sex, and age on the variation and ability of fecal near-infrared reflectance spectra to predict the composition of goat diets.

PubMed

Walker, J W; Campbell, E S; Lupton, C J; Taylor, C A; Waldron, D F; Landau, S Y

2007-02-01

The effects of breed, sex, and age of goats on fecal near-infrared reflectance spectroscopy-predicted percentage juniper in the diet were investigated, as were spectral differences in feces from goats differing in estimated genetic merit for juniper consumption. Eleven goats from each breed, sex, and age combination, representing 2 breeds (Angora and meat-type), 3 sex classifications (female, intact male, and castrated male), and 2 age categories [adult and kid (less than 12 mo of age)] were fed complete, pelleted rations containing 0 or 14% juniper. After 7 d on the same diet, fecal samples were collected for 3 d, and the spectra from the 3 replicate samples were averaged. Fecal samples were assigned to calibration or validation data sets. In a second experiment, Angora and meat goats with high or low estimated genetic merit for juniper consumption were fed the same diet to determine the effect of consumer group on fecal spectra. Feces were scanned in the 1,100- to 2,500-nm range with a scanning reflectance monochromator. Fecal spectra were analyzed for the difference in spectral characteristics and for differences in predicted juniper in the diet using internal and independent calibration equations. Internal calibration had a high precision (R(2) = 0.94), but the precision of independent validations (r(2) = 0.56) was low. Spectral differences were affected by diet, sex, breed, and age (P < 0.04). However, diet was the largest source of variation in spectral differences. Predicted percentage of juniper in the diet also showed that diet was the largest source of variation, accounting for 95% of the variation in predictions from internal calibrations and 51% of the variation in independent validations. Predictions from independent calibrations readily detected differences (P < 0.001) in the percentage of juniper in the 2 diets, and the predicted differences were similar to the actual differences. Predicted juniper in the diet was also affected by sex. Feces from goats from different juniper consumer groups fed a common diet were spectrally different, and the difference may have resulted from a greater intake by high- compared with low-juniper-consuming goats. Fecal near-infrared reflectance spectroscopy predictions of botanical composition of diets should be considered an interval scale of measurement.

VNIR Reflectance and MIR Emissivity Spectra of Ordinary Chondrite Meteorites Under Simulated Asteroid Surface Conditions

NASA Astrophysics Data System (ADS)

Gemma, M.; Shirley, K.; Glotch, T. D.; Ebel, D. S. S.

2017-12-01

Recent missions have revealed much about the nature of many Near-Earth asteroids, including the NEAR-Shoemaker target 433 Eros and Hayabusa target 25142 Itokawa. Both asteroids appear to have mineralogy consistent with ordinary chondrite meteorites. Laboratory spectral analysis of well-constrained meteorite samples can be employed as a reference tool to characterize and constrain data from current and future asteroid studies. A sample set of ordinary chondrite meteorites was chosen from the collection at the American Museum of Natural History. Six meteorites, spanning groups H, L, and LL, were prepared at four different size fractions (25-63 μm, 63-90 μm, 90-125 μm, 125-250 μm) in an attempt to mimic regolith known to exist on asteroids such as 433 Eros and 25142 Itokawa. At the Center for Planetary Exploration at Stony Brook University, spectra of the ordinary chondrite material were measured under simulated asteroid surface conditions ( 10-6 mbar, 150 K chamber temperature, low intensity illumination). The samples were used in two experiments: one measuring visible and near-infrared (VNIR) reflectance spectra at a series of temperatures, and the other measuring mid-infrared (MIR) emissivity spectra. The emissivity measurements require accurate simulation of the thermal environment within asteroid regolith, achieved by inducing a thermal gradient within the sample that results in a surface brightness temperature around 323 K (similar to the surface of 25142 Itokawa). Mid-IR emissivity spectra were collected for each sample at a surface temperature of 323 K, and reflectance spectra were collected in increments of 10 K, over the range 283 K to 373 K. Preliminary VNIR spectra show spreads similar to those seen in Hinrichs and Lucey (2002). Preliminary MIR emissivity spectra suggest that under asteroid surface conditions, the position of the Christiansen feature shifts to shorter wavelengths and emissivity is lower in the Reststrahlen bands when compared to spectra measured under terrestrial conditions. Experimental studies such as this one will enhance interpretation of current and future planetary remote sensing data sets. This work is the beginning of an effort to develop a comprehensive spectral library of materials relevant to airless bodies and future missions such as OSIRIS-REx and Hayabusa 2.

Spectroscopic observations of the Moon at the lunar surface

NASA Astrophysics Data System (ADS)

Wu, Yunzhao; Hapke, Bruce

2018-02-01

The Moon's reflectance spectrum records many of its important properties. However, prior to Chang'E-3 (CE-3), no spectra had previously been measured on the lunar surface. Here we show the in situ reflectance spectra of the Moon acquired on the lunar surface by the Visible-Near Infrared Spectrometer (VNIS) onboard the CE-3 rover. The VNIS detected thermal radiation from the lunar regolith, though with much shorter wavelength range than typical thermal radiometer. The measured temperatures are higher than expected from theoretical model, indicating low thermal inertia of the lunar soil and the effects of grain facet on soil temperature in submillimeter scale. The in situ spectra also reveal that 1) brightness changes visible from orbit are related to the reduction in maturity due to the removal of the fine and weathered particles by the lander's rocket exhaust, not the smoothing of the surface and 2) the spectra of the uppermost soil detected by remote sensing exhibit substantial differences with that immediately beneath, which has important implications for the remote compositional analysis. The reflectance spectra measured by VNIS not only reveal the thermal, compositional, and space-weathering properties of the Moon but also provide a means for the calibration of optical instruments that view the surface remotely.

Vibrational spectroscopy and DFT calculations of flavonoid derriobtusone A

NASA Astrophysics Data System (ADS)

Marques, A. N. L.; Mendes Filho, J.; Freire, P. T. C.; Santos, H. S.; Albuquerque, M. R. J. R.; Bandeira, P. N.; Leite, R. V.; Braz-Filho, R.; Gusmão, G. O. M.; Nogueira, C. E. S.; Teixeira, A. M. R.

2017-02-01

Flavonoids are secondary metabolites of plants which perform various functions. One subclass of flavonoid is auronol that can present immunostimulating activity. In this work Fourier-Transform Infrared with Attenuated Total Reflectance (FTIR-ATR) and Fourier-Transform Raman (FT-Raman) spectra of an auronol, derriobtusone A (C18H12O4), were obtained at room temperature. Theoretical calculations using Density Functional Theory (DFT) were performed in order to assign the normal modes and to interpret the spectra of the derriobtusone A molecule. The FTIR-ATR and FT-Raman spectra of the crystal, were recorded at room temperature in the regions 600 cm-1 to 4000 cm-1 and 40 cm-1 to 4000 cm-1, respectively. The normal modes of vibrations were obtained using Density Functional Theory with B3LYP functional and 6-31G+ (d,p) basis set. The calculated frequencies are in good agreement with those obtained experimentally. Detailed assignments of the normal modes present in both the Fourier-Transform infrared and the Fourier-Transform Raman spectra of the crystal are given.

Classification and identification of Rhodobryum roseum Limpr. and its adulterants based on fourier-transform infrared spectroscopy (FTIR) and chemometrics.

PubMed

Cao, Zhen; Wang, Zhenjie; Shang, Zhonglin; Zhao, Jiancheng

2017-01-01

Fourier-transform infrared spectroscopy (FTIR) with the attenuated total reflectance technique was used to identify Rhodobryum roseum from its four adulterants. The FTIR spectra of six samples in the range from 4000 cm-1 to 600 cm-1 were obtained. The second-derivative transformation test was used to identify the small and nearby absorption peaks. A cluster analysis was performed to classify the spectra in a dendrogram based on the spectral similarity. Principal component analysis (PCA) was used to classify the species of six moss samples. A cluster analysis with PCA was used to identify different genera. However, some species of the same genus exhibited highly similar chemical components and FTIR spectra. Fourier self-deconvolution and discrete wavelet transform (DWT) were used to enhance the differences among the species with similar chemical components and FTIR spectra. Three scales were selected as the feature-extracting space in the DWT domain. The results show that FTIR spectroscopy with chemometrics is suitable for identifying Rhodobryum roseum and its adulterants.

[On-line monitoring of biomass in 1,3-propanediol fermentation by Fourier-transformed near-infrared spectra analysis].

PubMed

Wang, Lu; Liu, Tao; Chen, Yang; Sun, Yaqin; Xiu, Zhilong

2017-01-25

Biomass is an important parameter reflecting the fermentation dynamics. Real-time monitoring of biomass can be used to control and optimize a fermentation process. To overcome the deficiencies of measurement delay and manual errors from offline measurement, we designed an experimental platform for online monitoring the biomass during a 1,3-propanediol fermentation process, based on using the fourier-transformed near-infrared (FT-NIR) spectra analysis. By pre-processing the real-time sampled spectra and analyzing the sensitive spectra bands, a partial least-squares algorithm was proposed to establish a dynamic prediction model for the biomass change during a 1,3-propanediol fermentation process. The fermentation processes with substrate glycerol concentrations of 60 g/L and 40 g/L were used as the external validation experiments. The root mean square error of prediction (RMSEP) obtained by analyzing experimental data was 0.341 6 and 0.274 3, respectively. These results showed that the established model gave good prediction and could be effectively used for on-line monitoring the biomass during a 1,3-propanediol fermentation process.

Chemometric analysis of attenuated total reflectance infrared spectra of Proteus mirabilis strains with defined structures of LPS.

PubMed

Zarnowiec, Paulina; Mizera, Andrzej; Chrapek, Magdalena; Urbaniak, Mariusz; Kaca, Wieslaw

2016-07-01

Proteus spp. strains are some of the most important pathogens associated with complicated urinary tract infections and bacteremia affecting patients with immunodeficiency and long-term urinary catheterization. For epidemiological purposes, various molecular typing methods have been developed for this pathogen. However, these methods are labor intensive and time consuming. We evaluated a new method of differentiation between strains. A collection of Proteus spp. strains was analyzed by attenuated total reflectance Fourier transform infrared (ATR FT-IR) spectroscopy in the mid-infrared region. ATR FT-IR spectroscopy used in conjunction with a diamond ATR accessory directly produced the biochemical profile of the surface chemistry of bacteria. We conclude that a combination of ATR FT-IR spectroscopy and mathematical modeling provides a fast and reliable alternative for discrimination between Proteus isolates, contributing to epidemiological research. © The Author(s) 2016.

Advantages of infrared transflection micro spectroscopy and paraffin-embedded sample preparation for biological studies

NASA Astrophysics Data System (ADS)

Yao, Jie; Li, Qian; Zhou, Bo; Wang, Dan; Wu, Rie

2018-04-01

Fourier-Transform Infrared micro-spectroscopy is an excellent method for biological analyses. In this paper, series metal coating films on ITO glass were prepared by the electrochemical method and the different thicknesses of paraffin embedding rat's brain tissue on the substrates were studied by IR micro-spetroscopy in attenuated total reflection (ATR) mode and transflection mode respectively. The Co-Ni-Cu alloy coating film with low cost is good reflection substrates for the IR analysis. The infrared microscopic transflection mode needs not to touch the sample at all and can get the IR spectra with higher signal to noise ratios. The Paraffin-embedding method allows tissues to be stored for a long time for re-analysis to ensure the traceability of the sample. Also it isolates the sample from the metal and avoids the interaction of biological tissue with the metals. The best thickness of the tissues is 4 μm.

Calculated photonic structures for infrared emittance control

NASA Astrophysics Data System (ADS)

Rung, Andreas; Ribbing, Carl G.

2002-06-01

Using an available program package based on the transfer-matrix method, we calculated the photonic band structure for two different structures: a quasi-three-dimensional crystal of square air rods in a high-index matrix and an opal structure of high-index spheres in a matrix of low index, epsilon = 1.5. The high index used is representative of gallium arsenide in the thermal infrared range. The geometric parameters of the rod dimension, sphere radius, and lattice constants were chosen to give total reflectance for normal incidence, i.e., minimum thermal emittance, in either one of the two infrared atmospheric windows. For these four photonic crystals, the bulk reflectance spectra and the wavelength-averaged thermal emittance as a function of crystal thickness were calculated. The results reveal that potentially useful thermal signature suppression is obtained for crystals as thin as 20-50 mum, i.e., comparable with that of a paint layer.

On the Identification of Rayon/Viscose as a Major Fraction of Microplastics in the Marine Environment: Discrimination between Natural and Manmade Cellulosic Fibers Using Fourier Transform Infrared Spectroscopy

PubMed Central

Comnea-Stancu, Ionela Raluca; Wieland, Karin; Ramer, Georg; Schwaighofer, Andreas

2016-01-01

This work was sparked by the reported identification of man-made cellulosic fibers (rayon/viscose) in the marine environment as a major fraction of plastic litter by Fourier transform infrared (FT-IR) transmission spectroscopy and library search. To assess the plausibility of such findings, both natural and man-made fibers were examined using FT-IR spectroscopy. Spectra acquired by transmission microscopy, attenuated total reflection (ATR) microscopy, and ATR spectroscopy were compared. Library search was employed and results show significant differences in the identification rate depending on the acquisition method of the spectra. Careful selection of search parameters and the choice of spectra acquisition method were found to be essential for optimization of the library search results. When using transmission spectra of fibers and ATR libraries it was not possible to differentiate between man-made and natural fibers. Successful differentiation of natural and man-made cellulosic fibers has been achieved for FT-IR spectra acquired by ATR microscopy and ATR spectroscopy, and application of ATR libraries. As an alternative, chemometric methods such as unsupervised hierarchical cluster analysis, principal component analysis, and partial least squares-discriminant analysis were employed to facilitate identification based on intrinsic relationships of sample spectra and successful discrimination of the fiber type could be achieved. Differences in the ATR spectra depending on the internal reflection element (Ge versus diamond) were observed as expected; however, these did not impair correct classification by chemometric analysis. Moreover, the effects of different levels of humidity on the IR spectra of natural and man-made fibers were investigated, too. It has been found that drying and re-humidification leads to intensity changes of absorption bands of the carbohydrate backbone, but does not impair the identification of the fiber type by library search or cluster analysis. PMID:27650982

Predicting Soil Salinity with Vis–NIR Spectra after Removing the Effects of Soil Moisture Using External Parameter Orthogonalization

PubMed Central

Liu, Ya; Pan, Xianzhang; Wang, Changkun; Li, Yanli; Shi, Rongjie

2015-01-01

Robust models for predicting soil salinity that use visible and near-infrared (vis–NIR) reflectance spectroscopy are needed to better quantify soil salinity in agricultural fields. Currently available models are not sufficiently robust for variable soil moisture contents. Thus, we used external parameter orthogonalization (EPO), which effectively projects spectra onto the subspace orthogonal to unwanted variation, to remove the variations caused by an external factor, e.g., the influences of soil moisture on spectral reflectance. In this study, 570 spectra between 380 and 2400 nm were obtained from soils with various soil moisture contents and salt concentrations in the laboratory; 3 soil types × 10 salt concentrations × 19 soil moisture levels were used. To examine the effectiveness of EPO, we compared the partial least squares regression (PLSR) results established from spectra with and without EPO correction. The EPO method effectively removed the effects of moisture, and the accuracy and robustness of the soil salt contents (SSCs) prediction model, which was built using the EPO-corrected spectra under various soil moisture conditions, were significantly improved relative to the spectra without EPO correction. This study contributes to the removal of soil moisture effects from soil salinity estimations when using vis–NIR reflectance spectroscopy and can assist others in quantifying soil salinity in the future. PMID:26468645

Optical properties of InN thin films

NASA Astrophysics Data System (ADS)

Malakhov, Vladislav Y.

2000-04-01

The basic optical properties of low temperature plasma enhanced chemical reactionary sputtered (PECRS) InN thin films are presented. Optical absorption and reflectance spectra of InN polycrystalline films at room temperature in visible and near infrared (NIR) regions were taken to determine direct band gap energy (2.03 eV), electron plasma resonances energy (0.6 eV), damping constant (0.18 eV), and optical effective mass of electrons (0.11). In addition the UV and visible reflectance spectra have been used to reproduce accurately dielectric function of wurtzite InN for assignments of the peak structures to interband transitions (1.5 - 12.0 eV) as well as to determine dielectric constant (9.3) and refractive index (>3.0). The revealed reflectance peaks at 485 and 590 cm-1 respectively in IR spectra are connected with TO and LO optical vibration modes of InN films. Some TO (485 cm-1) and LO (585 cm-1) phonon features of indium nitride polycrystalline films on ceramics were observed in Raman spectra and also discussed. The excellent possibilities of InN polycrystalline layers for potential application in optoelectronic devices such as LEDs based InGaAlN and high efficiency solar cells are confirmed.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pellicer-Porres, J., E-mail: Julio.Pellicer@uv.es; Segura, A.; Santamaría-Pérez, D.

We have measured high pressure α-quartz reflectance spectra in the mid infrared. We used single crystals, taking full profit of polarization. The quality of the spectra allows fitting the reflectance spectra. We have characterized the pressure evolution of E and A{sub 2} modes with increased precision, even in the spectral regions where they overlap. In addition, we have determined the TO-LO splitting of each mode. Some of the A{sub 2} modes show dramatic pressure variations of the LO-TO splitting, which cannot be explained only by changes in length and ionicity of individual bonds, requiring a new mechanism. We suggest thatmore » rotation of the SiO{sub 4} tetrahedra plays a fundamental role. We have also determined the evolution of the electronic dielectric constant under high pressure. We find that its pressure increment is mainly a volume effect, although the small increase in birefringence points to secondary changes associated to the electronic resonances.« less

Collection of in situ forest canopy spectra using a helicopter - A discussion of methodology and preliminary results

NASA Technical Reports Server (NTRS)

Williams, D. L.; Walthall, C. L.; Goward, S. N.

1984-01-01

An important part of fundamental remote sensing research is based on the measurement and analysis of spectral reflectance from earth surface materials in situ. It has been found that for an effective analysis of the target of interest, different applications of remotely sensed data require spectral measurements from different portions of the electromagnetic spectrum. It is pointed out that the detailed spectral reflectance characteristics of forest vegetation are currently not well understood, particularly in the middle infrared wavelength region. Details regarding the need for in situ forest canopy measurements are examined, taking into account certain difficulties arising in the case of satellite observations. Because of these difficulties, the present paper provides a discussion of methodology and preliminary spectra based on an experiment to use a helicopter as an observing platform for in situ forest canopy spectra measurement.

Quantitative determination of band distortions in diamond attenuated total reflectance infrared spectra.

PubMed

Boulet-Audet, Maxime; Buffeteau, Thierry; Boudreault, Simon; Daugey, Nicolas; Pézolet, Michel

2010-06-24

Due to its unmatched hardness and chemical inertia, diamond offers many advantages over other materials for extreme conditions and routine analysis by attenuated total reflection (ATR) infrared spectroscopy. Its low refractive index can offer up to a 6-fold absorbance increase compared to germanium. Unfortunately, it also results for strong bands in spectral distortions compared to transmission experiments. The aim of this paper is to present a methodological approach to determine quantitatively the degree of the spectral distortions in ATR spectra. This approach requires the determination of the optical constants (refractive index and extinction coefficient) of the investigated sample. As a typical example, the optical constants of the fibroin protein of the silk worm Bombyx mori have been determined from the polarized ATR spectra obtained using both diamond and germanium internal reflection elements. The positions found for the amide I band by germanium and diamond ATR are respectively 6 and 17 cm(-1) lower than the true value dtermined from the k(nu) spectrum, which is calculated to be 1659 cm(-1). To determine quantitatively the effect of relevant parameters such as the film thickness and the protein concentration, various spectral simulations have also been performed. The use of a thinner film probed by light polarized in the plane of incidence and diluting the protein sample can help in obtaining ATR spectra that are closer to their transmittance counterparts. To extend this study to any system, the ATR distortion amplitude has been evaluated using spectral simulations performed for bands of various intensities and widths. From these simulations, a simple empirical relationship has been found to estimate the band shift from the experimental band height and width that could be of practical use for ATR users. This paper shows that the determination of optical constants provides an efficient way to recover the true spectrum shape and band frequencies of distorted ATR spectra.

Fabrication of frequency selective surface for band stop IR-filter

NASA Astrophysics Data System (ADS)

Mishra, Akshita; Sudheer, Tiwari, P.; Mondal, P.; Bhatt, H.; Rai, V. N.; Srivastava, A. K.

2016-05-01

Fabrication and characterization of frequency selective surfaces (FSS) on silicon dioxide/ silicon is reported. Electron beam lithography based techniques are used for the fabrication of periodic slot structure in tungsten layer on silicon dioxide/silicon. The fabrication process consists of growth of SiO2 on silicon, tungsten deposition, electron beam lithography, and wet etching of tungsten. The optical characterization of the structural pattern was carried out using fourier transform infrared spectroscopy (FTIR). The reflectance spectra clearly show a resonance peak at 9.09 µm in the mid infrared region. This indicates that the patterned surface acts as band stop filter in the mid-infrared region.

Hydrated salt minerals on Ganymede's surface: evidence of an ocean below.

PubMed

McCord, T B; Hansen, G B; Hibbitts, C A

2001-05-25

Reflectance spectra from Galileo's near-infrared mapping spectrometer (NIMS) suggests that the surface of Ganymede, the largest satellite of Jupiter, contains hydrated materials. These materials are interpreted to be similar to those found on Europa, that is, mostly frozen magnesium sulfate brines that are derived from a subsurface briny layer of fluid.

Chemometric tool for identification of iron-gall inks by use of visible-near infrared fibre optic reflection spectroscopy.

PubMed

Gál, Lukáš; Čeppan, Michal; Reháková, Milena; Dvonka, Vladimír; Tarajčáková, Jarmila; Hanus, Jozef

2013-11-01

A method has been developed for identification of corrosive iron-gall inks in historical drawings and documents. The method is based on target-factor analysis of visible-near infrared fibre optic reflection spectra (VIS-NIR FORS). A set of reference spectra was obtained from model samples of laboratory-prepared inks covering a wide range of mixing ratios of basic ink components deposited on substrates and artificially aged. As criteria for correspondence of a studied spectrum with a reference spectrum, the apparent error in target (AET) and the empirical function SPOIL according to Malinowski were used. The capability of the proposed tool to distinguish corrosive iron-gall inks from bistre and sepia inks was evaluated by use of a set of control samples of bistre, sepia, and iron-gall inks. Examples are presented of analysis of historical drawings from the 15th and 16th centuries and written documents from the 19th century. The results of analysis based on the tool were confirmed by XRF analysis and colorimetric spot analysis.

Collecting Quality Infrared Spectra from Microscopic Samples of Suspicious Powders in a Sealed Cell.

PubMed

Kammrath, Brooke W; Leary, Pauline E; Reffner, John A

2017-03-01

The infrared (IR) microspectroscopical analysis of samples within a sealed-cell containing barium fluoride is a critical need when identifying toxic agents or suspicious powders of unidentified composition. The dispersive nature of barium fluoride is well understood and experimental conditions can be easily adjusted during reflection-absorption measurements to account for differences in focus between the visible and IR regions of the spectrum. In most instances, the ability to collect a viable spectrum is possible when using the sealed cell regardless of whether visible or IR focus is optimized. However, when IR focus is optimized, it is possible to collect useful data from even smaller samples. This is important when a minimal sample is available for analysis or the desire to minimize risk of sample exposure is important. While the use of barium fluoride introduces dispersion effects that are unavoidable, it is possible to adjust instrument settings when collecting IR spectra in the reflection-absorption mode to compensate for dispersion and minimize impact on the quality of the sample spectrum.

Near-infrared reflectance spectroscopy predicts protein, starch, and seed weight in intact seeds of common bean ( Phaseolus vulgaris L.).

PubMed

Hacisalihoglu, Gokhan; Larbi, Bismark; Settles, A Mark

2010-01-27

The objective of this study was to explore the potential of near-infrared reflectance (NIR) spectroscopy to determine individual seed composition in common bean ( Phaseolus vulgaris L.). NIR spectra and analytical measurements of seed weight, protein, and starch were collected from 267 individual bean seeds representing 91 diverse genotypes. Partial least-squares (PLS) regression models were developed with 61 bean accessions randomly assigned to a calibration data set and 30 accessions assigned to an external validation set. Protein gave the most accurate PLS regression, with the external validation set having a standard error of prediction (SEP) = 1.6%. PLS regressions for seed weight and starch had sufficient accuracy for seed sorting applications, with SEP = 41.2 mg and 4.9%, respectively. Seed color had a clear effect on the NIR spectra, with black beans having a distinct spectral type. Seed coat color did not impact the accuracy of PLS predictions. This research demonstrates that NIR is a promising technique for simultaneous sorting of multiple seed traits in single bean seeds with no sample preparation.

Reassignment of the Iron (3) Absorption Bands in the Spectra of Mars

NASA Technical Reports Server (NTRS)

Sherman, D. M.

1985-01-01

Absorption features in the near-infrared and visible region reflectance spectra of Mars have been assigned to specific Fe (3+) crystal-field and o(2-) yields Fe(3+) charge transfer transitions. Recently, near-ultraviolet absorption spectra of iron oxides were obtained and the energies of o(2-) yields Fe(3+) charge-transfer (LMCT) transitions were determined from accurate SCF-X # alpha-SW molecular orbital calculations on (FeO6)(9-) and (FeO4)(5-) clusters. Both the theoretical and experimental results, together with existing data in the literature, show that some of the previous Fe(3+) band assignments in the spectra of Mars need to be revised. The theory of Fe(3+) spectra in minerals is discussed and applied to the spectrum of Mars.

Infrared spectroscopy of Mercury analogue materials under simulated Mercury surface temperature conditions

NASA Astrophysics Data System (ADS)

Reitze, Maximilian; Morlok, Andreas; Hiesinger, Harald; Weber, Iris; Stojic, Aleksandra

2017-04-01

Infrared spectroscopy is a powerful technique for the exploration of planetary surfaces with remote sensing observations [e.g., 1]. The MERTIS (Mercury Radiometer and Thermal Infrared Spectrometer) instrument onboard the BepiColombo spacecraft is designed to explore the surface mineralogy of Mercury in the wavelength region from 7 μ m to 14 μ m [2]. Mercury's surface reaches dayside temperatures of about 700 K [3]. It is well known that bondings between atoms change with temperature, resulting in infrared spectra changes with temperature [4]. In particular, rock-forming minerals like silicates show distinct absorption bands in the infrared due to molecular vibrations, for example, of Si-O bondings [4]. To accurately understand and correctly interpret returned MERTIS data, it is necessary to collect laboratory data of analogue materials under condition similar to Mercury [5]. It is known from previous investigations [5] that the Reststrahlenbands of olivine shift with temperature. In this work we report on temperature effects on Mercury analogue materials in ambient air. At the IRIS (Infrared & Raman for Interplanetary Spectroscopy) laboratory in Münster we used a Bruker VERTEX 70v IR spectrometer together with a Harrick heating stage in a Praying Mantis Diffuse Reflectance Accessory to measure mid-infrared reflectance of mineral powder samples with different grain sizes at increasing temperatures. We report on our spectral results for a natural olivine with Fo91 with a grain size range between 63 μ m and 125 μ m as well as a natural labradorite with a grain size range between 90 μ m and 125 μ m. Spectra were collected at 26, 75, 150, 200, 250, 300, and 350 degrees Celsius with a liquid nitrogen cooled MCT detector under normal ambient pressure. To ensure complete thermal equilibrium of our measured samples, we heated them to higher temperatures and subsequently cooled them to the temperatures at which the spectra were taken. For background calibration, we used a commercial diffuse reflectance gold standard (INFRAGOLD). Our results confirm the temperature-dependent shift of the strongest silicate feature in olivine spectra observed by [5]. For the shift of the peak position of this feature we calculated a shift function depending on the temperature in the form of Rmax[μ m]=0.00027μ m/K\\cdot x[K]+10.454μ m (R^2=0.92). Differences in the intensity of the spectra between [5] and our work are most likely due to smaller grain sizes of our samples. We are also planning on presenting results obtained from evacuated samples (down to 10-6 mbar), which are close to pressures existing on Mercury. References} [1] A. Maturilli, J. Helbert, A. Witzke, and L. Moroz, Planet. Space Sci., 54:1057-1064, 2006. [2] H. Hiesinger, J. Helbert, and MERTIS Co-I Team, Planet. Space Sci., 58:144-165, 2010. [3] M. A. Slade, B. J. Butler, and D. O. Muhleman, Science, 258:635-640, 1992. [4] C. M. Pieters and P. A. J. Englert, editors. Topics in Remote Sensing 4. Remote Geo-chemical Analysis: Elemental and Mineralogical Composition. Cambridge University Press, 1993. [5] J. Helbert, F. Nestola, S. Ferrari, A. Maturilli, M. Massironi, G. J. Redhammer, M. T. Capria, F. Capaccioni, and M. Bruno, EPSL, 371-372:252-257, 2013.

An FTIR point sensor for identifying chemical WMD and hazardous materials

NASA Astrophysics Data System (ADS)

Norman, Mark L.; Gagnon, Aaron M.; Reffner, John A.; Schiering, David W.; Allen, Jeffrey D.

2004-03-01

A new point sensor for identifying chemical weapons of mass destruction and other hazardous materials based on Fourier transform infrared (FT-IR) spectroscopy is presented. The sensor is a portable, fully functional FT-IR system that features a miniaturized Michelson interferometer, an integrated diamond attenuated total reflection (ATR) sample interface, and an embedded on-board computer. Samples are identified by an automated search algorithm that compares their infrared spectra to digitized databases that include reference spectra of nerve and blister agents, toxic industrial chemicals, and other hazardous materials. The hardware and software are designed for use by technicians with no background in infrared spectroscopy. The unit, which is fully self-contained, can be hand-carried and used in a hot zone by personnel in Level A protective gear, and subsequently decontaminated by spraying or immersion. Wireless control by a remote computer is also possible. Details of the system design and performance, including results of field validation tests, are discussed.

Discriminating trpzip2 and trpzip4 peptides’ folding landscape using the two-dimensional infrared spectroscopy: A simulation study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Tianmin; Zhang, Ruiting; Li, Huanhuan

2014-02-07

We analyzed, based on the theoretical spectroscopic modeling, how the differences in the folding landscapes of two β-hairpin peptides trpzip2 and trpzip4 are reflected in their thermal unfolding infrared measurements. The isotope-edited equilibrium FTIR and two dimensional infrared spectra of the two peptides were calculated, using the nonlinear exciton propagation method, at a series of temperatures. The spectra calculations were based on the configuration distributions generated using the GB{sup OBC} implicit solvent MD simulation and the integrated tempering sampling technique. Conformational analysis revealed the different local thermal stabilities for these two peptides, which suggested the different folding landscapes. Our studymore » further suggested that the ellipticities of the isotope peaks in the coherent IR signals are more sensitive to these local stability differences compared with other spectral features such as the peak intensities. Our technique can thus be combined with the relevant experimental measurements to achieve a better understanding of the peptide folding behaviors.« less

Transmission Spectra of HgTe-Based Quantum Wells and Films in the Far-Infrared Range

NASA Astrophysics Data System (ADS)

Savchenko, M. L.; Vasil'ev, N. N.; Yaroshevich, A. S.; Kozlov, D. A.; Kvon, Z. D.; Mikhailov, N. N.; Dvoretskii, S. A.

2018-04-01

Strained 80-nm-thick HgTe films belong to a new class of materials referred to as three-dimensional topological insulators (i.e., they have a bulk band gap and spin-nondegenerate surface states). Though there are a number of studies devoted to analysis of the properties of surface states using both transport and magnetooptical techniques in the THz range, the information about direct optical transitions between bulk and surface bands in these systems has not been reported. This study is devoted to the analysis of transmission and reflection spectra of HgTe films of different thicknesses in the far-infrared range recorded in a wide temperature range in order to detect the above interband transitions. A peculiarity at 15 meV, which is sensitive to a change in the temperature, is observed in spectra of both types. Detailed analysis of the data obtained revealed that this feature is related to absorption by HgTe optical phonons, while the interband optical transitions are suppressed.

[Study on brand traceability of vinegar based on near infrared spectroscopy technology].

PubMed

Guan, Xiao; Liu, Jing; Gu, Fang-Qing; Yang, Yong-Jian

2014-09-01

In the present paper, 152 vinegar samples with four different brands were chosen as research targets, and their near infrared spectra were collected by diffusion reflection mode and transmission mode, respectively. Furthermore, the brand traceability models for edible vinegar were constructed. The effects of the collection mode and pretreatment methods of spectrum on the precision of traceability models were investigated intensively. The models constructed by PLS1-DA modeling method using spectrum data of 114 training samples were applied to predict 38 test samples, and R2, RMSEC and RMSEP of the model based on transmission mode data were 0.92, 0.113 and 0.127, respectively, with recognition rate of 76.32%, and those based on diffusion reflection mode data were 0.97, 0.102 and 0.119, with recognition rate of 86.84%. The results demonstrated that the near infrared spectrum combined with PLS1-DA can be used to establish the brand traceability models for edible vinegar, and diffuse reflection mode is more beneficial for predictive ability of the model.

Analysis of the boreal forest-tundra ecotone: A test of AVIRIS capabilities in the Eastern Canadian subarctic

NASA Technical Reports Server (NTRS)

Goward, Samuel N.; Petzold, Donald E.

1989-01-01

A comparison was conducted between ground reflectance spectra collected in Schefferville, Canada and imaging spectrometer observations acquired by the AVIRIS sensor in a flight of the ER-2 Aircraft over the same region. The high spectral contrasts present in the Canadian Subarctic appeared to provide an effective test of the operational readiness of the AVIRIS sensor. Previous studies show that in this location various land cover materials possess a wide variety of visible/near infrared reflectance properties. Thus, this landscape served as an excellent test for the sensing variabilities of the newly developed AVIRIS sensor. An underlying hypothesis was that the unique visible/near infrared spectral reflectance patterns of Subarctic lichens could be detected from high altitudes by this advanced imaging spectrometer. The relation between lichen occurrence and boreal forest-tundra ecotone dynamics was investigated.

Soil, water, and vegetation conditions in south Texas

NASA Technical Reports Server (NTRS)

Wiegand, C. L.; Gausman, H. W.; Leamer, R. W.; Richardson, A. J.; Everitt, J. H.; Gerbermann, A. H. (Principal Investigator)

1976-01-01

The author has identified the following significant results. Field spectral measurements and laboratory densitometric measurements showed that tree canopy reflectance differences among the Marrs, Redblush, and Valencia varieties in the visible spectral region were due to their different leaf chlorophyll concentrations. Field measurements of visible light reflectance were directly related to the tonal responses on infrared color photos of the varietal tree canopies. Consequently, densitometric measurements of the foliage on the infrared color transparency with red-filtered light successfully discriminated among the three varieties. Reflectance measurements with a field spectroradiometer on nine dates the growing season of two wheat varieties, Milam and Penjamo, documented their spectra over the 0.45 to 2.50 micron wavelength interval associated with plant cover and physiological development. An image analyzer system was used to optically planimeter the percentage of soil background, vegetation and shadow in the vertical photographs taken within the FOV of the spectroradiometer on each measurement date.

Oregon transect: Comparison of leaf-level reflectance with canopy-level and modelled reflectance

NASA Technical Reports Server (NTRS)

Johnson, Lee F.; Baret, Frederic; Peterson, David L.

1992-01-01

The Oregon Transect Ecosystem Research (OTTER) project involves the collection of a variety of remotely-sensed and in situ measurements for characterization of forest biophysical and biochemical parameters. The project includes nine study plots located along an environmental gradient in west-central Oregon, extending from the Pacific coast inland approximately 300km. These plots represent a broad range in ecosystem structure and function. Within the OTTER project, the sensitivity of the Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) signal to absorption by foliar biochemicals is being examined. AVIRIS data were acquired over all plots in conjunction with the four OTTER Multi-sensor Aircraft Campaigns spanning the growing season. Foilage samples were gathered during each campaign for biochemical determination (at Ames Research Center), to estimate stand-level constituency at each plot. Directional-hemispheric leaf reflectance throughout the 400-2400nm region was measured in the laboratory as an aid to interpreting concurrent AVIRIS data. Obtaining leaf spectra in this manner reduces or eliminates the confounding influences of atmosphere, canopy architecture, and reflectance by woody components, understory, and exposed soils which are present in airborne observations. These laboratory spectra were compared to simulated spectra derived by inverting the PROSPECT leaf-level canopy reflectance derived from AVIRIS data by use of the LOWTRAN-7 atmospheric radiative-transfer model.

Near infrared spectral linearisation in quantifying soluble solids content of intact carambola.

PubMed

Omar, Ahmad Fairuz; MatJafri, Mohd Zubir

2013-04-12

This study presents a novel application of near infrared (NIR) spectral linearisation for measuring the soluble solids content (SSC) of carambola fruits. NIR spectra were measured using reflectance and interactance methods. In this study, only the interactance measurement technique successfully generated a reliable measurement result with a coefficient of determination of (R2) = 0.724 and a root mean square error of prediction for (RMSEP) = 0.461° Brix. The results from this technique produced a highly accurate and stable prediction model compared with multiple linear regression techniques.

Near Infrared Spectral Linearisation in Quantifying Soluble Solids Content of Intact Carambola

PubMed Central

Omar, Ahmad Fairuz; MatJafri, Mohd Zubir

2013-01-01

This study presents a novel application of near infrared (NIR) spectral linearisation for measuring the soluble solids content (SSC) of carambola fruits. NIR spectra were measured using reflectance and interactance methods. In this study, only the interactance measurement technique successfully generated a reliable measurement result with a coefficient of determination of (R2) = 0.724 and a root mean square error of prediction for (RMSEP) = 0.461° Brix. The results from this technique produced a highly accurate and stable prediction model compared with multiple linear regression techniques. PMID:23584118

Optical Properties of Natural Minerals in the Far-Infrared

NASA Astrophysics Data System (ADS)

Long, Larry Lavern

The reflectivity of natural mineral powders were measured in the far infrared. The complex indices of refraction were then determined by Kramers-Kronig analysis or dispersive analysis. The samples were constructed by pressing the powdered sample into a 13 mm diameter pellet. A few of the samples that were measured were kaolin, illite, and montmorillonite, clay samples that could not be obtained in large single crystals. For calcite and gypsum crystals a comparison between the single crystal measurements and powder measurements was done to determine the effect of sample preparation on the measured spectra.

Spectral Irradiance Calibration in the Infrared. Part 7; New Composite Spectra, Comparison with Model Atmospheres, and Far-Infrared Extrapolations

NASA Technical Reports Server (NTRS)

Cohen, Martin; Witteborn, Fred C.; Carbon, Duane F.; Davies, John K.; Wooden, Diane H.; Bregman, Jesse D.

1996-01-01

We present five new absolutely calibrated continuous stellar spectra constructed as far as possible from spectral fragments observed from the ground, the Kuiper Airborne Observatory (KAO), and the IRAS Low Resolution Spectrometer. These stars-alpha Boo, gamma Dra, alpha Cet, gamma Cru, and mu UMa-augment our six, published, absolutely calibrated spectra of K and early-M giants. All spectra have a common calibration pedigree. A revised composite for alpha Boo has been constructed from higher quality spectral fragments than our previously published one. The spectrum of gamma Dra was created in direct response to the needs of instruments aboard the Infrared Space Observatory (ISO); this star's location near the north ecliptic pole renders it highly visible throughout the mission. We compare all our low-resolution composite spectra with Kurucz model atmospheres and find good agreement in shape, with the obvious exception of the SiO fundamental, still lacking in current grids of model atmospheres. The CO fundamental seems slightly too deep in these models, but this could reflect our use of generic models with solar metal abundances rather than models specific to the metallicities of the individual stars. Angular diameters derived from these spectra and models are in excellent agreement with the best observed diameters. The ratio of our adopted Sirius and Vega models is vindicated by spectral observations. We compare IRAS fluxes predicted from our cool stellar spectra with those observed and conclude that, at 12 and 25 microns, flux densities measured by IRAS should be revised downwards by about 4.1% and 5.7%, respectively, for consistency with our absolute calibration. We have provided extrapolated continuum versions of these spectra to 300 microns, in direct support of ISO (PHT and LWS instruments). These spectra are consistent with IRAS flux densities at 60 and 100 microns.

On the possibility of spectroscopic cancer diagnostics

NASA Astrophysics Data System (ADS)

Khairullina, Alphiya Y.; Oleinik, Tatiana V.; Korolevich, Alexander N.; Sevkovsky, Yacob I.

1993-07-01

The diffuse reflection and transmission coefficients, other optical parameters of normal and cancer tissues have been investigated in visible and infrared spectra. The optimal spectral range for distinguishing the cancer is found. The spectral absorption coefficients and size of cells parameter determined using our approach are analyzed to be different for normal and pathological tissues. The method is proposed for calculating the diffuse reflectance and transmittance of multiple tissue layers. The investigations have shown that cancer may be distinguished under the layers of skin and normal tissue.

[Analysis of Polarization Characteristics of Wheat and Maize Crops Using Land-Based Remote Sensing Measurements].

PubMed

Sid'ko, A F; Botvich, I Yu; Pisman, T I; Shevyrnogov, A P

2015-01-01

The paper presents analysis of a study of the polarized component of the reflectance factor (Rq) and the degree of polarization (P) of wheat and maize crops depending on the wavelength. Registration of polarization characteristics was carried out in the field from the elevated work platform at heights of 10 to 18 m in June and July. Measurements were performed using a double-beam spectrophotometer with a polarized light filter attachment, within the spectral range from 400 to 820-nm. The viewing angle was no greater than 20 degree with respect to the nadir. The reflection spectra of wheat and maize crops obtained using a polarizer adjusted to transmit the maximum and minimum amounts of light (R(max) and R(min)) were studied. Based on these reflection spectra polarization characteristics, which. differ in the visible and infrared spectral region, were determined and analyzed.

Rapid determination of sugar level in snack products using infrared spectroscopy.

PubMed

Wang, Ting; Rodriguez-Saona, Luis E

2012-08-01

Real-time spectroscopic methods can provide a valuable window into food manufacturing to permit optimization of production rate, quality and safety. There is a need for cutting edge sensor technology directed at improving efficiency, throughput and reliability of critical processes. The aim of the research was to evaluate the feasibility of infrared systems combined with chemometric analysis to develop rapid methods for determination of sugars in cereal products. Samples were ground and spectra were collected using a mid-infrared (MIR) spectrometer equipped with a triple-bounce ZnSe MIRacle attenuated total reflectance accessory or Fourier transform near infrared (NIR) system equipped with a diffuse reflection-integrating sphere. Sugar contents were determined using a reference HPLC method. Partial least squares regression (PLSR) was used to create cross-validated calibration models. The predictability of the models was evaluated on an independent set of samples and compared with reference techniques. MIR and NIR spectra showed characteristic absorption bands for sugars, and generated excellent PLSR models (sucrose: SEP < 1.7% and r > 0.96). Multivariate models accurately and precisely predicted sugar level in snacks allowing for rapid analysis. This simple technique allows for reliable prediction of quality parameters, and automation enabling food manufacturers for early corrective actions that will ultimately save time and money while establishing a uniform quality. The U.S. snack food industry generates billions of dollars in revenue each year and vibrational spectroscopic methods combined with pattern recognition analysis could permit optimization of production rate, quality, and safety of many food products. This research showed that infrared spectroscopy is a powerful technique for near real-time (approximately 1 min) assessment of sugar content in various cereal products. © 2012 Institute of Food Technologists®

Types of rocks exposed at the Viking landing sites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Guinness, E.; Arvidson, R.; Dale-Bannister, M.

1985-01-01

Spectral estimates derived from Viking Lander multispectral images have been used to investigate the types of rocks exposed at both landing sites, and to infer whether the rocks are primary igneous rocks or weathering products. These analyses should aid interpretations of spectra to be returned from the Visual and Infrared Mapping Spectrometer on the upcoming Mars Observer Mission. A series of gray surfaces on the Landers were used to check the accuracy of the camera preflight calibrations. Results indicate that the pre-flight calibrations for the three color channels are probably correct for all cameras but camera 2 on Lander 1.more » The calibration for the infrared channels appears to have changed, although the cause is not known. For this paper, only the color channels were used to derive data for rocks. Rocks at both sites exhibit a variety of reflectance values. For example, reflectance estimates for two rocks in the blue (0.4-0.5 microns), green (0.5-0.6 microns), and red (0.6-0.75 microns) channels are 0.16, 0.23, and 0.33 and 0.12, 0.19, 0.37 at a phase angle of 20 degrees. These values have been compared with laboratory reflectance spectra of analog materials and telescopic spectra of Mars, both convolved to the Lander bandpasses. Lander values for some rocks are similar to earth based observations of martian dark regions and with certain mafic igneous rocks thinly coated with amorphous ferric-oxide rich weathering products. These results are consistent with previous interpretations.« less

An advanced retrieval algorithm for greenhouse gases using polarization information measured by GOSAT TANSO-FTS SWIR I: Simulation study

NASA Astrophysics Data System (ADS)

Kikuchi, N.; Yoshida, Y.; Uchino, O.; Morino, I.; Yokota, T.

2016-11-01

We present an algorithm for retrieving column-averaged dry air mole fraction of carbon dioxide (XCO2) and methane (XCH4) from reflected spectra in the shortwave infrared (SWIR) measured by the TANSO-FTS (Thermal And Near infrared Sensor for carbon Observation Fourier Transform Spectrometer) sensor on board the Greenhouse gases Observing SATellite (GOSAT). The algorithm uses the two linear polarizations observed by TANSO-FTS to improve corrections to the interference effects of atmospheric aerosols, which degrade the accuracy in the retrieved greenhouse gas concentrations. To account for polarization by the land surface reflection in the forward model, we introduced a bidirectional reflection matrix model that has two parameters to be retrieved simultaneously with other state parameters. The accuracy in XCO2 and XCH4 values retrieved with the algorithm was evaluated by using simulated retrievals over both land and ocean, focusing on the capability of the algorithm to correct imperfect prior knowledge of aerosols. To do this, we first generated simulated TANSO-FTS spectra using a global distribution of aerosols computed by the aerosol transport model SPRINTARS. Then the simulated spectra were submitted to the algorithms as measurements both with and without polarization information, adopting a priori profiles of aerosols that differ from the true profiles. We found that the accuracy of XCO2 and XCH4, as well as profiles of aerosols, retrieved with polarization information was considerably improved over values retrieved without polarization information, for simulated observations over land with aerosol optical thickness greater than 0.1 at 1.6 μm.

Reflectance calibration and shadow effect of VNIS spectra acquired by the Yutu rover

NASA Astrophysics Data System (ADS)

Hu, Sen; Lin, Yang-Ting; Liu, Bin; Yang, Wei; He, Zhi-Ping; Xing, Wei-Fan

2015-09-01

Yutu is the first lunar rover after the Apollo program and Luna missions. One of the payloads on the Yutu rover, the Visible and Near-infrared Imaging Spectrometer (VNIS), has acquired four VIS/NIR images and SWIR spectra near its landing site in Mare Imbrium. The radiance images were reduced through repairing bad lines and bad points, and applying flat field correction, and then were converted into reflectance values based on the solar irradiance and angles of incidence. A significant shadow effect was observed in the VIS/NIR image. The shadowed regions show lower reflectance with a darkening trend compared with illuminated regions. The reflectance increased by up to 24% for entire images and 17% for the VIS/NIR-SWIR overlapping regions after shadow correction. The correction for the shadow effect will remarkably decrease the estimate of FeO content, by up to 4.9 wt.% in this study. The derived FeO contents of CD-005∼008 after shadow correction are around 18.0 wt.%.

Molecular recognition in gas sensing: Results from acoustic wave and in-situ FTIR measurements

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hierlemann, A.; Ricco, A.J.; Bodenhoefer, K.

Surface acoustic wave (SAW) measurements were combined with direct, in-situ molecular spectroscopy to understand the interactions of surface-confined sensing films with gas-phase analytes. This was accomplished by collecting Fourier-transform infrared external-reflectance spectra (FTIR-ERS) on operating SAW devices during dosing of their specifically coated surfaces with key analytes.

Variable Temperature Infrared Spectroscopy Investigations of Benzoic Acid Desorption from Sodium and Calcium Montmorillonite Clays.

PubMed

Nickels, Tara M; Ingram, Audrey L; Maraoulaite, Dalia K; White, Robert L

2015-12-01

Processes involved in thermal desorption of benzoic acid from sodium and calcium montmorillonite clays are investigated by using variable temperature diffuse reflection Fourier transform infrared spectroscopy (DRIFTS). By monitoring the temperature dependence of infrared absorbance bands while heating samples, subtle changes in molecular vibrations are detected and employed to characterize specific benzoic acid adsorption sites. Abrupt changes in benzoic acid adsorption site properties occur for both clay samples at about 125 °C. Difference spectra absorbance band frequency variations indicate that adsorbed benzoic acid interacts with interlayer cations through water bridges and that these interactions can be disrupted by the presence of organic anions, in particular, benzoate.

Variable Temperature Infrared Spectroscopy Investigation of Benzoic Acid Interactions with Montmorillonite Clay Interlayer Water.

PubMed

Nickels, Tara M; Ingram, Audrey L; Maraoulaite, Dalia K; White, Robert L

2015-07-01

Molecular interactions between benzoic acid and cations and water contained in montmorillonite clay interlayer spaces are characterized by using variable temperature diffuse reflection infrared Fourier transform spectroscopy (VT-DRIFTS). Using sample perturbation and difference spectroscopy, infrared spectral changes resulting from removal of interlayer water and associated changes in local benzoic acid environments are identified. Difference spectra features can be correlated with changes in specific molecular vibrations that are characteristic of benzoic acid molecular orientation. Results suggest that the carboxylic acid functionality of benzoic acid interacts with interlayer cations through a bridging water molecule and that this interaction is affected by the nature of the cation present in the clay interlayer space.

Ultra-broadband infrared pump-probe spectroscopy using synchrotron radiation and a tuneable pump.

PubMed

Carroll, Lee; Friedli, Peter; Lerch, Philippe; Schneider, Jörg; Treyer, Daniel; Hunziker, Stephan; Stutz, Stefan; Sigg, Hans

2011-06-01

Synchrotron infrared sources have become popular mainly because of their excellent broadband brilliance, which enables spectroscopically resolved spatial-mapping of stationary objects at the diffraction limit. In this article we focus on an often-neglected further advantage of such sources - their unique time-structure - to bring such broadband spectroscopy to the time domain, for studying dynamic phenomenon down to the 100 ps limit. We describe the ultra-broadband (12.5 to 1.1 μm) Fourier transform pump-probe setup, for condensed matter transmission- and reflection-spectroscopy, installed at the X01DC infrared beam-line of the Swiss Light Source (SLS). The optical pump consists of a widely tuneable 100 ps 1 kHz laser system, covering 94% of the 16 to 1.1 μm range. A thorough description of the system is given, including (i) the vector-modulator providing purely electronic tuning of the pump-probe overlap up to 1 ms with sub-ps time resolution, (ii) the 500 MHz data acquisition system interfaced with the experimental physics and industrial control system (EPICS) based SLS control system for consecutive pulse sampling, and (iii) the step-scan time-slice Fourier transform scheme for simultaneous recording of the dual-channel pumped, un-pumped, and difference spectra. The typical signal/noise ratio of a single interferogram in a 100 ps time slice is 300 (measured during one single 140 s TopUp period). This signal/noise ratio is comparable to that of existing gated Globar pump-probe Fourier transform spectroscopy, but brings up to four orders of magnitude better time resolution. To showcase the utility of broadband pump-probe spectroscopy, we investigate a Ge-on-Si material system similar to that in which optically pumped direct-gap lasing was recently reported. We show that the mid-infrared reflection-spectra can be used to determine the optically injected carrier density, while the mid- and near-infrared transmission-spectra can be used to separate the strong pump-induced absorption and inversion processes present at the direct-gap energy. © 2011 American Institute of Physics

Surface compositions in the Aristarchus Region: Implications for regional stratigraphy

NASA Technical Reports Server (NTRS)

Hawke, H. R.; Lucey, P. G.; Mccord, T. B.; Pieters, C. M.; Head, J. W.

1984-01-01

Near infrared reflectance spectra for the Aristachus region, obtained using the 2.2m UH telescope at the Mauna Kea Observatory, were reduced and analyzed. The spectra obtained for the central peak, southern floor, southwestern wall, eastern wall, and northwestern wall of Aristachus crater exhibit shallow continuum slopes, relatively strong feldspar bands, pyroxene bands stronger than those typically seen in the spectra of fresh higland features, and pyroxene band centers near l micrometer suggesting the dominance of Ca rich clinopyroxene. The spectrum of the south rim of Aristachus is quite distinct from those of other crater units. The position of Aristrchus on the plateau/mare boundary raises questions concerning compositional variations in crater ejects deposits.

Spectral reflectance and emissivity features of broad leaf plants: Prospects for remote sensing in the thermal infrared (8.0-14.0 μm)

USGS Publications Warehouse

Ribeiro da Luz, Beatriz; Crowley, James K.

2007-01-01

In contrast to visible and short-wave infrared data, thermal infrared spectra of broad leaf plants show considerable spectral diversity, suggesting that such data eventually could be utilized to map vegetation composition. However, remotely measuring the subtle emissivity features of leaves still presents major challenges. To be successful, sensors operating in the 8–14 μm atmospheric window must have high signal-to-noise and a small enough instantaneous field of view to allow measurements of only a few leaf surfaces. Methods for atmospheric compensation, temperature–emissivity separation, and spectral feature analysis also will need to be refined to allow the recognition, and perhaps, exploitation of leaf thermal infrared spectral properties.

Assessment of Various Organic Matter Properties by Infrared Reflectance Spectroscopy of Sediments and Filters

NASA Astrophysics Data System (ADS)

Alaoui, G.; Leger, M.; Gagne, J.; Tremblay, L.

2009-05-01

The goal of this work was to evaluate the capability of infrared reflectance spectroscopy for a fast quantification of the elemental and molecular compositions of sedimentary and particulate organic matter (OM). A partial least-squares (PLS) regression model was used for analysis and values were compared to those obtained by traditional methods (i.e., elemental, humic and HPLC analyses). PLS tools are readily accessible from software such as GRAMS (Thermo-Fisher) used in spectroscopy. This spectroscopic-chemometric approach has several advantages including its rapidity and use of whole unaltered samples. To predict properties, a set of infrared spectra from representative samples must first be fitted to form a PLS calibration model. In this study, a large set (180) of sediments and particles on GFF filters from the St. Lawrence estuarine system were used. These samples are very heterogenous (e.g., various tributaries, terrigenous vs. marine, events such as landslides and floods) and thus represent a challenging test for PLS prediction. For sediments, the infrared spectra were obtained with a diffuse reflectance, or DRIFT, accessory. Sedimentary carbon, nitrogen, humic substance contents as well as humic substance proportions in OM and N:C ratios were predicted by PLS. The relative root mean square error of prediction (%RMSEP) for these properties were between 5.7% (humin content) and 14.1% (total humic substance yield) using the cross-validation, or leave-one out, approach. The %RMSEP calculated by PLS for carbon content was lower with the PLS model (7.6%) than with an external calibration method (11.7%) (Tremblay and Gagné, 2002, Anal. Chem., 74, 2985). Moreover, the PLS approach does not require the extraction of POM needed in external calibration. Results highlighted the importance of using a PLS calibration set representative of the unknown samples (e.g., same area). For filtered particles, the infrared spectra were obtained using a novel approach based on attenuated total reflectance, or ATR, allowing the direct analysis of the filters. In addition to carbon and nitrogen contents, amino acid and muramic acid (a bacterial biomarker) yields were predicted using PLS. Calculated %RMSEP varied from 6.4% (total amino acid content) to 18.6% (muramic acid content) with cross-validation. PLS regression modeling does not require a priori knowledge of the spectral bands associated with the properties to be predicted. In turn, the spectral regions that give good PLS predictions provided valuable information on band assignment and geochemical processes. For instance, nitrogen and humin contents were greatly determined by an absorption band caused by aluminosilicate OH group. This supports the idea that OM-clay interactions, important in humin formation and OM preservation, are mediated by nitrogen-containing groups.

Fourier transform mid-infrared (MIR) and near-infrared (NIR) spectroscopy for rapid quality assessment of Chinese medicine preparation Honghua Oil.

PubMed

Wu, Yan-Wen; Sun, Su-Qin; Zhou, Qun; Leung, Hei-Wun

2008-02-13

Honghua Oil (HHO), a traditional Chinese medicine (TCM) oil preparation, is a mixture of several plant essential oils. In this text, the extended ranges of Fourier transform mid-infrared (FT-MIR) and near infrared (FT-NIR) were recorded for 48 commercially available HHOs of different batches from nine manufacturers. The qualitative and quantitative analysis of three marker components, alpha-pinene, methyl salicylate and eugenol, in different HHO products were performed rapidly by the two vibrational spectroscopic methods, i.e. MIR with horizontal attenuated total reflection (HATR) accessory and NIR with direct sampling technique, followed by partial least squares (PLS) regression treatment of the set of spectra obtained. The results indicated that it was successful to identify alpha-pinene, methyl salicylate and eugenol in all of the samples by simple inspection of the MIR-HATR spectra. Both PLS models established with MIR-HATR and NIR spectral data using gas chromatography (GC) peak areas as calibration reference showed a good linear correlation for each of all three target substances in HHO samples. The above spectroscopic techniques may be the promising methods for the rapid quality assessment/quality control (QA/QC) of TCM oil preparations.

[Research on NIR equivalent spectral measurement].

PubMed

Wang, Zhi-Hong; Liu, Jie; Sun, Yu-Yang; Teng, Fei; Lin, Jun

2013-04-01

When the spectra of the diffuse reflectance of low reflectivity samples or the transmittance of low transmisivity samples are measured by a portable near infrared (NIR) spectrometer, because there is the noise of the spectrometer, the smaller the reflectance or transmittance of the sample, the lower its SNR. Even if treated by denoise methods, the spectra can not meet the requirement of NIR analysis. So the equivalent spectrum measure method was researched. Based on the intensity of the reflected or transmitted signal by the sample under the traditional measure conditions, the light current of the spectrometer was enlarged, and then the signal of the measured sample increased; the reflected or transmitted light of the measure reference was reduced to avoid the signal of the measure reference over range. Moreover the equivalent spectrum of the sample was calculated in order to make it identical with the spectrum measured by traditional method. Thus the NIR spectral SNR was improved. The results of theory analysis and experiments show that if the light signal of the spectrometer was properly increased according to the reflected or transmitted signal of the low reflectivity or transmisivity sample, the equivalent spectrum was the same as the spectrum measured by traditional method and its SNR was improved.

Determination of Seed Soundness in Conifers Cryptomeria japonica and Chamaecyparis obtusa Using Narrow-Multiband Spectral Imaging in the Short-Wavelength Infrared Range

PubMed Central

Matsuda, Osamu; Hara, Masashi; Tobita, Hiroyuki; Yazaki, Kenichi; Nakagawa, Toshinori; Shimizu, Kuniyoshi; Uemura, Akira; Utsugi, Hajime

2015-01-01

Regeneration of planted forests of Cryptomeria japonica (sugi) and Chamaecyparis obtuse (hinoki) is the pressing importance to the forest administration in Japan. Low seed germination rate of these species, however, has hampered low-cost production of their seedlings for reforestation. The primary cause of the low germinability has been attributed to highly frequent formation of anatomically unsound seeds, which are indistinguishable from sound germinable seeds by visible observation and other common criteria such as size and weight. To establish a method for sound seed selection in these species, hyperspectral imaging technique was used to identify a wavelength range where reflectance spectra differ clearly between sound and unsound seeds. In sound seeds of both species, reflectance in a narrow waveband centered at 1,730 nm, corresponding to a lipid absorption band in the short-wavelength infrared (SWIR) range, was greatly depressed relative to that in adjacent wavebands on either side. Such depression was absent or less prominent in unsound seeds. Based on these observations, a reflectance index SQI, abbreviated for seed quality index, was formulated using reflectance at three narrow SWIR wavebands so that it represents the extent of the depression. SQI calculated from seed area-averaged reflectance spectra and spatial distribution patterns of pixelwise SQI within each seed area were both proven as reliable criteria for sound seed selection. Enrichment of sound seeds was accompanied by an increase in germination rate of the seed lot. Thus, the methods described are readily applicable toward low-cost seedling production in combination with single seed sowing technology. PMID:26083366

Near infrared reflectance spectra: Applications to problems in asteroid-meteorite relationships

NASA Technical Reports Server (NTRS)

Mcfadden, Lucy A.; Chamberlin, Alan B.

1992-01-01

An observing program designed to search for evidence of ordinary chondrite parent bodies near the 3:1 Kirkwood Gap was carried out in 1985 and 1986. Studies by Wisdom (1985), Wetherill (1985), and subsequent work by Milani et al. (1989) indicate that the 3:1 Kirkwood gap is the most probable source region for the majority of ordinary chondrite meteorites. The diversity of the reflectance spectra among this small data set is surprising. Early work by Gaffey and McCord (1978) showed that the inner region of the main asteroid belt is dominated by high albedo objects with mafic silicate surfaces. One would expect to see mostly spectra with 1- and 2-micron absorption bands based on this earlier work. Only 5 (of 12) spectra have these expected features. The distribution of taxonomic types presented by Gradie and Tedesco (1982) is in most cases a useful simplification of the compositional structure of the asteroid belt. The range of spectral characteristics seen with higher resolution in the near-IR has not been previously reported and is not represented in the standard asteroid taxonomy. Near-IR spectra contain valuable mineralogical information which enhances knowledge of the composition and structure of asteroids.

Spectra Transfer Between a Fourier Transform Near-Infrared Laboratory and a Miniaturized Handheld Near-Infrared Spectrometer.

PubMed

Hoffmann, Uwe; Pfeifer, Frank; Hsuing, Chang; Siesler, Heinz W

2016-05-01

The aim of this contribution is to demonstrate the transfer of spectra that have been measured on two different laboratory Fourier transform near-infrared (FT-NIR) spectrometers to the format of a handheld instrument by measuring only a few samples with both spectrometer types. Thus, despite the extreme differences in spectral range and resolution, spectral data sets that have been collected and quantitative as well as qualitative calibrations that have been developed thereof, respectively, over a long period on a laboratory instrument can be conveniently transferred to the handheld system. Thus, the necessity to prepare completely new calibration samples and the effort required to develop calibration models when changing hardware platforms is minimized. The enabling procedure is based on piecewise direct standardization (PDS) and will be described for the data sets of a quantitative and a qualitative application case study. For this purpose the spectra measured on the FT-NIR laboratory spectrometers were used as "master" data and transferred to the "target" format of the handheld instrument. The quantitative test study refers to transmission spectra of three-component liquid solvent mixtures whereas the qualitative application example encompasses diffuse reflection spectra of six different current polymers. To prove the performance of the transfer procedure for quantitative applications, partial least squares (PLS-1) calibrations were developed for the individual components of the solvent mixtures with spectra transferred from the master to the target instrument and the cross-validation parameters were compared with the corresponding parameters obtained for spectra measured on the master and target instruments, respectively. To test the retention of the discrimination ability of the transferred polymer spectra sets principal component analyses (PCAs) were applied exemplarily for three of the six investigated polymers and their identification was demonstrated by Mahalanobis distance plots for all polymers. © The Author(s) 2016.

A SYSTEMATIC SEARCH FOR THE SPECTRA WITH FEATURES OF CRYSTALLINE SILICATES IN THE SPITZER IRS ENHANCED PRODUCTS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Rui; Luo, Ali; Liu, Jiaming

2016-06-01

The crystalline silicate features are mainly reflected in infrared bands. The Spitzer Infrared Spectrograph (IRS) collected numerous spectra of various objects and provided a big database to investigate crystalline silicates in a wide range of astronomical environments. We apply the manifold ranking algorithm to perform a systematic search for the spectra with crystalline silicate features in the Spitzer IRS Enhanced Products available. In total, 868 spectra of 790 sources are found to show the features of crystalline silicates. These objects are cross-matched with the SIMBAD database as well as with the Large Sky Area Multi-object Fiber Spectroscopic Telescope (LAMOST)/DR2. Themore » average spectrum of young stellar objects shows a variety of features dominated either by forsterite or enstatite or neither, while the average spectrum of evolved objects consistently present dominant features of forsterite in AGB, OH/IR, post-AGB, and planetary nebulae. They are identified optically as early-type stars, evolved stars, galaxies and so on. In addition, the strength of spectral features in typical silicate complexes is calculated. The results are available through CDS for the astronomical community to further study crystalline silicates.« less

Infrared Reflectance Spectroscopy of Porous Silicas

NASA Astrophysics Data System (ADS)

Guiton, Theresa Anne

Fourier transform infrared (FTIR) specular reflectance spectroscopy was used to examine the fundamental phonon behavior of a series of porous silicas including porous Vycor, xerogels, aerogels, and colloidal solids. The spectra were deconvoluted using Kramers-Kronig analysis techniques, and the corresponding optical constants were determined via the Fresnel equations. The resulting spectra represent the first compilation of such data for low density silicas. The porous silicas revealed unique resonance modes for the imaginary dielectric function and energy loss function. A key distinction amongst the spectra was the change in the band shape of the antisymmetric Si-O-Si stretching modes. For instance, as the porosity level of the particulate systems increased, the peak maxima of the imaginary dielectric functions shifted to higher frequencies while the peak maxima of the associated energy loss function shifted to lower frequencies. In essence, with increasing porosity, the peak maxima of the imaginary dielectric functions and the energy loss functions were converging towards frequencies intermediate to the transverse optical and longitudinal optical modes of fused silica. A similar trend was not observed for the semi-continuous silica matrices. Maxwell Garnett effective medium modeling verified that these modes were a function of the porous microstructure and can be attributed to surface phonon modes. The effect of surface phonon modes was also evident in the absorption coefficient data. However, contrary to the traditional view that changes in the absorption spectra of porous silicas are strictly due to molecular structure, this study has demonstrated that variations can be attributed--both qualitatively and quantitatively--to electrostatic screening effects of finite particles.

The Effect of Postmastectomy Radiation Therapy on Breast Implants: Material Analysis on Silicone and Polyurethane Prosthesis.

PubMed

Lo Torto, Federico; Relucenti, Michela; Familiari, Giuseppe; Vaia, Nicola; Casella, Donato; Matassa, Roberto; Miglietta, Selenia; Marinozzi, Franco; Bini, Fabiano; Fratoddi, Ilaria; Sciubba, Fabio; Cassese, Raffaele; Tombolini, Vincenzo; Ribuffo, Diego

2018-05-17

The pathogenic mechanism underlying capsular contracture is still unknown. It is certainly a multifactorial process, resulting from human body reaction, biofilm activation, bacteremic seeding, or silicone exposure. The scope of the present article is to investigate the effect of hypofractionated radiotherapy protocol (2.66 Gy × 16 sessions) both on silicone and polyurethane breast implants. Silicone implants and polyurethane underwent irradiation according to a hypofractionated radiotherapy protocol for the treatment of breast cancer. After irradiation implant shells underwent mechanical, chemical, and microstructural evaluation by means of tensile testing, infrared spectra in attenuated total reflectance mode, nuclear magnetic resonance, and field emission scanning electron microscopy. At superficial analysis, irradiated silicone samples show several visible secondary and tertiary blebs. Polyurethane implants showed an open cell structure, which closely resembles a sponge. Morphological observation of struts from treated polyurethane sample shows a more compact structure, with significantly shorter and thicker struts compared with untreated sample. The infrared spectra in attenuated total reflectance mode spectra of irradiated and control samples were compared either for silicon and polyurethane samples. In the case of silicone-based membranes, treated and control specimens showed similar bands, with little differences in the treated one. Nuclear magnetic resonance spectra on the fraction soluble in CDCl3 support these observations. Tensile tests on silicone samples showed a softer behavior of the treated ones. Tensile tests on Polyurethane samples showed no significant differences. Polyurethane implants seem to be more resistant to radiotherapy damage, whereas silicone prosthesis showed more structural, mechanical, and chemical modifications.

Advanced LWIR hyperspectral sensor for on-the-move proximal detection of liquid/solid contaminants on surfaces

NASA Astrophysics Data System (ADS)

Giblin, Jay P.; Dixon, John; Dupuis, Julia R.; Cosofret, Bogdan R.; Marinelli, William J.

2017-05-01

Sensor technologies capable of detecting low vapor pressure liquid surface contaminants, as well as solids, in a noncontact fashion while on-the-move continues to be an important need for the U.S. Army. In this paper, we discuss the development of a long-wave infrared (LWIR, 8-10.5 μm) spatial heterodyne spectrometer coupled with an LWIR illuminator and an automated detection algorithm for detection of surface contaminants from a moving vehicle. The system is designed to detect surface contaminants by repetitively collecting LWIR reflectance spectra of the ground. Detection and identification of surface contaminants is based on spectral correlation of the measured LWIR ground reflectance spectra with high fidelity library spectra and the system's cumulative binary detection response from the sampled ground. We present the concepts of the detection algorithm through a discussion of the system signal model. In addition, we present reflectance spectra of surfaces contaminated with a liquid CWA simulant, triethyl phosphate (TEP), and a solid simulant, acetaminophen acquired while the sensor was stationary and on-the-move. Surfaces included CARC painted steel, asphalt, concrete, and sand. The data collected was analyzed to determine the probability of detecting 800 μm diameter contaminant particles at a 0.5 g/m2 areal density with the SHSCAD traversing a surface.

A Study on Spectral Signature Analysis of Wetland Vegetation Based on Ground Imaging Spectrum Data

NASA Astrophysics Data System (ADS)

Ling, Chengxing; Liu, Hua; Ju, Hongbo; Zhang, Huaiqing; You, Jia; Li, Weina

2017-10-01

The objective of this study was to verify the application of imaging spectrometer in wetland vegetation remote sensing monitoring, based on analysis of wetland vegetation spectral features. Spectral information of Carex vegetation spectral data under different water environment was collected bySOC710VP and ASD FieldSpec 3; Meanwhile, the chlorophyll contents of wheat leaves were tested in the lab. A total 9 typical vegetation indices were calculated by using two instruments’ data which were spectral values from 400nm to 1000 nm. Then features between the same vegetation indices and soil water contents for two applications were analyzed and compared. The results showed that there were same spectrum curve trends of Carex vegetation (soil moisture content of 51%, 32%, 14% and three regional comparative analysis)reflectance between SOC710VP and ASD FieldSpec 3, including the two reflectance peak of 550nm and 730 nm, two reflectance valley of 690 nm and 970nm, and continuous near infrared reflectance platform. However, The two also have a very clear distinction: (1) The reflection spectra of SOC710VP leaves of Carex Carex leaf spectra in the three soil moisture environment values are greater than ASD FieldSpec 3 collected value; (2) The SOC710VP reflectivity curve does not have the smooth curve of the original spectrum measured by the ASD FieldSpec 3, the amplitude of fluctuation is bigger, and it is more obvious in the near infrared band. It is concluded that SOC710VP spectral data are reliable, with the image features, spectral curve features reliable. It has great potential in the research of hyperspectral remote sensing technology in the development of wetland near earth, remote sensing monitoring of wetland resources.

Self-assembled flower-like antimony trioxide microstructures with high infrared reflectance performance

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ge, Shengsong, E-mail: geshengsong@126.com; Yang, Xiaokun; Shao, Qian

A simple hydrothermal process was adopted to self-assembly prepare high infrared reflective antimony trioxide with three-dimensional flower-like microstructures. The morphologies of antimony trioxide microstructures were characterized by X-ray diffractometry (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and high resolution transmission electron microscopy (HRTEM) respectively. It is also found that experimental parameters, such as NaOH concentration, surfactant concentration and volume ratio of ethanol–water played crucial roles in controlling the morphologies of Sb{sub 2}O{sub 3} microstructures. A possible growth mechanism of flower-like Sb{sub 2}O{sub 3} microstructure was proposed based on the experimental data. UV–vis–NIR spectra verified that the near infraredmore » reflectivity of the obtained flower-like microstructures could averagely achieve as 92% with maximum reflectivity of 98%, obviously higher than that of other different morphologies of antimony trioxide microstructures. It is expected that the flower-like Sb{sub 2}O{sub 3} nanostructures have some applications in optical materials and heat insulation coatings. - Graphical abstract: Flower-like Sb{sub 2}O{sub 3} microstructures that composed of nanosheets with thickness of ca. 100 nm exhibit high reflectivity under UV–vis–NIR spectra. Highlights: ► Uniform flower-like microstructures were synthesized via simple hydrothermal reaction. ► The flower-like Sb{sub 2}O{sub 3} microstructures exhibited higher reflectivity than other morphologies under the UV–vis–NIR light. ► Influencing parameters on the Sb{sub 2}O{sub 3} morphologies have been discussed in detail. ► Possible mechanism leading to flower-like microstructures was proposed.« less

Effect on the partial least-squares prediction of yarn properties combining raman and infrared measurements and applying wavelength selection.

PubMed

de Groot, P J; Swierenga, H; Postma, G J; Melssen, W J; Buydens, L M C

2003-06-01

The combination of Raman and infrared spectroscopy on the one hand and wavelength selection on the other hand is used to improve the partial least-squares (PLS) prediction of seven selected yarn properties. These properties are important for on-line quality control during production. From 71 yarn samples, the Raman and infrared spectra are measured and reference methods are used to determine the selected properties. Making separate PLS models for all yarn properties using the Raman and infrared spectra, prior to wavelength selection, reveals that Raman spectroscopy outperforms infrared spectroscopy. If wavelength selection is applied, the PLS prediction error decreases and the correlation coefficient increases for all properties. However, a substantial wavelength selection effect is present for the infrared spectra compared to the Raman spectra. For the infrared spectra, wavelength selection results in PLS prediction errors comparable with the prediction performance of the Raman spectra prior to wavelength selection. Concatenating the Raman and infrared spectra does not enhance the PLS prediction performance, not even after wavelength selection. It is concluded that an infrared spectrometer, combined with a wavelength selection procedure, can be used if no (suitable) Raman instrument is available.

Thermal infrared spectroscopy of experimentally shocked anorthosite and pyroxenite: Implications for remote sensing of Mars

USGS Publications Warehouse

Johnson, J. R.; Horz, F.; Lucey, P.G.; Christensen, P.R.

2002-01-01

The feldspar and pyroxene mineralogies on Mars revealed by the Thermal Emission Spectrometer (TES) on Mars Global Surveyor likely record a variety of shock effects, as suggested by petrologic analyses of the Martian meteorites and the abundance of impact craters on the planet's surface. To study the effects of shock pressures on thermal infrared spectra of these minerals, we performed shock recovery experiments on orthopyroxenite and anorthosite samples from the Stillwater Complex (Montana) over peak pressures from 17 to 63 GPa. We acquired emissivity and hemispherical reflectance spectra (350-1400 cm-1; ???7-29 ??m) of both coherent chips and fine-grained powders of shocked and unshocked samples. These spectra are more directly comparable to remotely sensed data of Mars (e.g., TES) than previously acquired absorption or transmission spectra of shocked minerals. The spectra of experimentally shocked feldspar show systematic changes with increasing pressure due to depolymerization of the silica tetrahedra. For the spectra of chips, this includes the disappearance of small bands in the 500-650 cm-1 region and a strong band at 1115 cm-1, and changes in positions of a strong band near 940 cm-1 and the Christiansen feature near 1250 cm-1. Spectra of the shocked powders show the gradual disappearance of a transparency feature near 830 cm-1. Fewer changes are observed in the pyroxene spectra at pressures as high as 63 GPa. Spectra of experimentally shocked minerals will help identify more precisely the mineralogy of rocks and soils not only from TES but also from Mars instruments such as miniTES and THEMIS.

[Evaluation of Sugar Content of Huanghua Pear on Trees by Visible/Near Infrared Spectroscopy].

PubMed

Liu, Hui-jun; Ying, Yi-bin

2015-11-01

A method of ambient light correction was proposed to evaluate the sugar content of Huanghua pears on tree by visible/near infrared diffuse reflectance spectroscopy (Vis/NIRS). Due to strong interference of ambient light, it was difficult to collect the efficient spectral of pears on tree. In the field, covering the fruits with a bag blocking ambient light can get better results, but the efficiency is fairly low, the instrument corrections of dark and reference spectra may help to reduce the error of the model, however, the interference of the ambient light cannot be eliminated effectively. In order to reduce the effect of ambient light, a shutter was attached to the front of probe. When opening shutter, the spot spectrum were obtained, on which instrument light and ambient light acted at the same time. While closing shutter, background spectra were obtained, on which only ambient light acted, then the ambient light spectra was subtracted from spot spectra. Prediction models were built using data on tree (before and after ambient light correction) and after harvesting by partial least square (PLS). The results of the correlation coefficient (R) are 0.1, 0.69, 0.924; the root mean square error of prediction (SEP) are 0. 89°Brix, 0.42°Brix, 0.27°Brix; ratio of standard deviation (SD) to SEP (RPD) are 0.79, 1.69, 2.58, respectively. The results indicate that, method of background correction used in the experiment can reduce the effect of ambient lighting on spectral acquisition of Huanghua pears in field, efficiently. This method can be used to collect the visible/near infrared spectrum of fruits in field, and may give full play to visible/near-infrared spectroscopy in preharvest management and maturity testing of fruits in the field.

An X-Ray Spectral Model for Clumpy Tori in Active Galactic Nuclei

NASA Astrophysics Data System (ADS)

Liu, Yuan; Li, Xiaobo

2014-05-01

We construct an X-ray spectral model for the clumpy torus in an active galactic nucleus (AGN) using Geant4, which includes the physical processes of the photoelectric effect, Compton scattering, Rayleigh scattering, γ conversion, fluorescence line, and Auger process. Since the electrons in the torus are expected to be bounded instead of free, the deviation of the scattering cross section from the Klein-Nishina cross section has also been included, which changes the X-ray spectra by up to 25% below 10 keV. We have investigated the effect of the clumpiness parameters on the reflection spectra and the strength of the fluorescent line Fe Kα. The volume filling factor of the clouds in the clumpy torus only slightly influences the reflection spectra, however, the total column density and the number of clouds along the line of sight significantly change the shapes and amplitudes of the reflection spectra. The effect of column density is similar to the case of a smooth torus, while a small number of clouds along the line of sight will smooth out the anisotropy of the reflection spectra and the fluorescent line Fe Kα. The smoothing effect is mild in the low column density case (N H = 1023 cm-2), whereas it is much more evident in the high column density case (N H = 1025 cm-2). Our model provides a quantitative tool for the spectral analysis of the clumpy torus. We suggest that the joint fits of the broad band spectral energy distributions of AGNs (from X-ray to infrared) should better constrain the structure of the torus.

Chemical fingerprinting of Arabidopsis using Fourier transform infrared (FT-IR) spectroscopic approaches.

PubMed

Gorzsás, András; Sundberg, Björn

2014-01-01

Fourier transform infrared (FT-IR) spectroscopy is a fast, sensitive, inexpensive, and nondestructive technique for chemical profiling of plant materials. In this chapter we discuss the instrumental setup, the basic principles of analysis, and the possibilities for and limitations of obtaining qualitative and semiquantitative information by FT-IR spectroscopy. We provide detailed protocols for four fully customizable techniques: (1) Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS): a sensitive and high-throughput technique for powders; (2) attenuated total reflectance (ATR) spectroscopy: a technique that requires no sample preparation and can be used for solid samples as well as for cell cultures; (3) microspectroscopy using a single element (SE) detector: a technique used for analyzing sections at low spatial resolution; and (4) microspectroscopy using a focal plane array (FPA) detector: a technique for rapid chemical profiling of plant sections at cellular resolution. Sample preparation, measurement, and data analysis steps are listed for each of the techniques to help the user collect the best quality spectra and prepare them for subsequent multivariate analysis.

Multivariate analysis of ATR-FTIR spectra for assessment of oil shale organic geochemical properties

USGS Publications Warehouse

Washburn, Kathryn E.; Birdwell, Justin E.

2013-01-01

In this study, attenuated total reflectance (ATR) Fourier transform infrared spectroscopy (FTIR) was coupled with partial least squares regression (PLSR) analysis to relate spectral data to parameters from total organic carbon (TOC) analysis and programmed pyrolysis to assess the feasibility of developing predictive models to estimate important organic geochemical parameters. The advantage of ATR-FTIR over traditional analytical methods is that source rocks can be analyzed in the laboratory or field in seconds, facilitating more rapid and thorough screening than would be possible using other tools. ATR-FTIR spectra, TOC concentrations and Rock–Eval parameters were measured for a set of oil shales from deposits around the world and several pyrolyzed oil shale samples. PLSR models were developed to predict the measured geochemical parameters from infrared spectra. Application of the resulting models to a set of test spectra excluded from the training set generated accurate predictions of TOC and most Rock–Eval parameters. The critical region of the infrared spectrum for assessing S1, S2, Hydrogen Index and TOC consisted of aliphatic organic moieties (2800–3000 cm−1) and the models generated a better correlation with measured values of TOC and S2 than did integrated aliphatic peak areas. The results suggest that combining ATR-FTIR with PLSR is a reliable approach for estimating useful geochemical parameters of oil shales that is faster and requires less sample preparation than current screening methods.

Low-Resolution Near-infrared Stellar Spectra Observed by the Cosmic Infrared Background Experiment (CIBER)

NASA Astrophysics Data System (ADS)

Kim, Min Gyu; Lee, Hyung Mok; Arai, Toshiaki; Bock, James; Cooray, Asantha; Jeong, Woong-Seob; Kim, Seong Jin; Korngut, Phillip; Lanz, Alicia; Lee, Dae Hee; Lee, Myung Gyoon; Matsumoto, Toshio; Matsuura, Shuji; Nam, Uk Won; Onishi, Yosuke; Shirahata, Mai; Smidt, Joseph; Tsumura, Kohji; Yamamura, Issei; Zemcov, Michael

2017-02-01

We present near-infrared (0.8-1.8 μm) spectra of 105 bright ({m}J < 10) stars observed with the low-resolution spectrometer on the rocket-borne Cosmic Infrared Background Experiment. As our observations are performed above the Earth's atmosphere, our spectra are free from telluric contamination, which makes them a unique resource for near-infrared spectral calibration. Two-Micron All-Sky Survey photometry information is used to identify cross-matched stars after reduction and extraction of the spectra. We identify the spectral types of the observed stars by comparing them with spectral templates from the Infrared Telescope Facility library. All the observed spectra are consistent with late F to M stellar spectral types, and we identify various infrared absorption lines.

Soil spectral characterization

NASA Technical Reports Server (NTRS)

Stoner, E. R.; Baumgardner, M. F.

1981-01-01

The spectral characterization of soils is discussed with particular reference to the bidirectional reflectance factor as a quantitative measure of soil spectral properties, the role of soil color, soil parameters affecting soil reflectance, and field characteristics of soil reflectance. Comparisons between laboratory-measured soil spectra and Landsat MSS data have shown good agreement, especially in discriminating relative drainage conditions and organic matter levels in unvegetated soils. The capacity to measure both visible and infrared soil reflectance provides information on other soil characteristics and makes it possible to predict soil response to different management conditions. Field and laboratory soil spectral characterization helps define the extent to which intrinsic spectral information is available from soils as a consequence of their composition and field characteristics.

Spectral-agronomic relationships of corn, soybean and wheat canopies

NASA Technical Reports Server (NTRS)

Bauer, M. E. (Principal Investigator); Daughtry, C. S. T.; Vanderbilt, V. C.

1981-01-01

During the past six years several thousand reflectance spectra of corn, soybean, and wheat canopies were acquired and analyzed. The relationships of biophysical variables, including leaf area index, percent soil cover, chlorophyll and water content, to the visible and infrared reflectance of canopies are described. The effects on reflectance of cultural, environmental, and stress factors such as planting data, seeding rate, row spacing, cultivar, soil type and nitrogen fertilization are also examined. The conclusions are that several key agronomic variables including leaf area index, development stage and degree of stress are strongly related to spectral reflectance and that it should be possible to estimate these descriptions of crop condition from satellite acquired multispectral data.

PET and PVC separation with hyperspectral imagery.

PubMed

Moroni, Monica; Mei, Alessandro; Leonardi, Alessandra; Lupo, Emanuela; Marca, Floriana La

2015-01-20

Traditional plants for plastic separation in homogeneous products employ material physical properties (for instance density). Due to the small intervals of variability of different polymer properties, the output quality may not be adequate. Sensing technologies based on hyperspectral imaging have been introduced in order to classify materials and to increase the quality of recycled products, which have to comply with specific standards determined by industrial applications. This paper presents the results of the characterization of two different plastic polymers--polyethylene terephthalate (PET) and polyvinyl chloride (PVC)--in different phases of their life cycle (primary raw materials, urban and urban-assimilated waste and secondary raw materials) to show the contribution of hyperspectral sensors in the field of material recycling. This is accomplished via near-infrared (900-1700 nm) reflectance spectra extracted from hyperspectral images acquired with a two-linear-spectrometer apparatus. Results have shown that a rapid and reliable identification of PET and PVC can be achieved by using a simple two near-infrared wavelength operator coupled to an analysis of reflectance spectra. This resulted in 100% classification accuracy. A sensor based on this identification method appears suitable and inexpensive to build and provides the necessary speed and performance required by the recycling industry.

PET and PVC Separation with Hyperspectral Imagery

PubMed Central

Moroni, Monica; Mei, Alessandro; Leonardi, Alessandra; Lupo, Emanuela; La Marca, Floriana

2015-01-01

Traditional plants for plastic separation in homogeneous products employ material physical properties (for instance density). Due to the small intervals of variability of different polymer properties, the output quality may not be adequate. Sensing technologies based on hyperspectral imaging have been introduced in order to classify materials and to increase the quality of recycled products, which have to comply with specific standards determined by industrial applications. This paper presents the results of the characterization of two different plastic polymers—polyethylene terephthalate (PET) and polyvinyl chloride (PVC)—in different phases of their life cycle (primary raw materials, urban and urban-assimilated waste and secondary raw materials) to show the contribution of hyperspectral sensors in the field of material recycling. This is accomplished via near-infrared (900–1700 nm) reflectance spectra extracted from hyperspectral images acquired with a two-linear-spectrometer apparatus. Results have shown that a rapid and reliable identification of PET and PVC can be achieved by using a simple two near-infrared wavelength operator coupled to an analysis of reflectance spectra. This resulted in 100% classification accuracy. A sensor based on this identification method appears suitable and inexpensive to build and provides the necessary speed and performance required by the recycling industry. PMID:25609050

[Near-infrared reflectance spectroscopy predicts protein, moisture and ash in beans].

PubMed

Gao, Huiyu; Wang, Guodong; Men, Jianhua; Wang, Zhu

2017-05-01

To explore the potential of near-infrared reflectance( NIR)spectroscopy to determine macronutrient contents in beans. NIR spectra and analytical measurements of protein, moisture and ash were collected from 70 kinds of beans. Reference methods were used to analyze all the ground beans samples. NIR spectra on intact and ground beans samples were registered. Partial least-squares( PLS)regression models were developed with principal components analysis( PCA) to assign 49 bean accessions to a calibration data set and 21 accessions to an external validation set. For intact beans, the relative predictive determinant( RPD) values for protein and ash( 3. 67 and 3. 97, respectively) were good for screening. RPD value for moisture was only 1. 39, which was not recommended. For ground beans, the RPD values for protein, moisture and ash( 6. 63, 5. 25 and 3. 57, respectively) were good enough for screening. The protein, moisture and ash levels for intact and ground beans were all significantly correlated( P < 0. 001) between the NIR and reference method and there was no statistically significant difference in the mean with these three traits. This research demonstrates that NIR is a promising technique for simultaneous sorting ofmultiple traits in beans with no or easy sample preparation.

[Retrieval of the Optical Thickness and Cloud Top Height of Cirrus Clouds Based on AIRS IR High Spectral Resolution Data].

PubMed

Cao, Ya-nan; Wei, He-li; Dai, Cong-ming; Zhang, Xue-hai

2015-05-01

A study was carried out to retrieve optical thickness and cloud top height of cirrus clouds from the Atmospheric Infrared Sounder (AIRS) high spectral resolution data in 1070~1135 cm-1 IR band using a Combined Atmospheric Radiative Transfer model (CART) by brightness temperature difference between model simulation and AIRS observation. The research is based on AIRS LIB high spectral infrared observation data combined with Moderate Resolution Imaging Spectroradiometer (MODIS) cloud product data. Brightness temperature spectra based, on the retrieved cirrus optical thickness and cloud top height were simulated and compared with brightness temperature spectra of AIRS observation in the 650~1150 cm-1 band. The cirrus optical thickness and cloud top height retrieved were compared with brightness temperature of AIRS for channel 760 (900.56 cm-1, 11. 1 µm) and cirrus reflectance of MODIS cloud product. And cloud top height retrieved was compared with cloud top height from MODIS. Results show that the brightness temperature spectra simulated were basically consistent with AIRS observation under the condition of retrieval in the 650~1150 cm-1 band. It means that CART can be used to simulate AIRS brightness temperature spectra. The retrieved cirrus parameters are consistent with brightness temperature of AIRS for channel 11. 1 µm with low brightness temperature corresponding to large cirrus optical thickness and high cloud top height. And the retrieved cirrus parameters are consistent with cirrus reflectance of MODIS cloud product with high cirrus reflectance corresponding to large cirrus optical thickness and high cloud top height. Correlation coefficient of brightness temperature between retrieved cloud top height and MODIS cloud top height was relatively high. They are mostly located in the range of 8. 5~11.5 km, and their probability distribution trend is approximately identical. CART model is feasible to retrieve cirrus properties, and the retrieval is reliable.

Development of a method for the determination of caffeine anhydrate in various designed intact tablets [correction of tables] by near-infrared spectroscopy: a comparison between reflectance and transmittance technique.

PubMed

Ito, Masatomo; Suzuki, Tatsuya; Yada, Shuichi; Kusai, Akira; Nakagami, Hiroaki; Yonemochi, Etsuo; Terada, Katsuhide

2008-08-05

Using near-infrared (NIR) spectroscopy, an assay method which is not affected by such elements of tablet design as thickness, shape, embossing and scored line was developed. Tablets containing caffeine anhydrate were prepared by direct compression at various compression force levels using different shaped punches. NIR spectra were obtained from these intact tablets using the reflectance and transmittance techniques. A reference assay was performed by high-performance liquid chromatography (HPLC). Calibration models were generated by the partial least-squares (PLS) regression. Changes in the tablet thickness, shape, embossing and scored line caused NIR spectral changes in different ways, depending on the technique used. As a result, noticeable errors in drug content prediction occurred using calibration models generated according to the conventional method. On the other hand, when the various tablet design elements which caused the NIR spectral changes were included in the model, the prediction of the drug content in the tablets was scarcely affected by those elements when using either of the techniques. A comparison of these techniques resulted in higher predictability under the tablet design variations using the transmittance technique with preferable linearity and accuracy. This is probably attributed to the transmittance spectra which sensitively reflect the differences in tablet thickness or shape as a result of obtaining information inside the tablets.

In vivo measurements of optical properties of human muscles with visible and near infrared reflectance spectroscopy

NASA Astrophysics Data System (ADS)

Wang, Chiao Yi; Yu, Ting Wen; Sung, Kung Bin

2018-02-01

Estimating optical properties of tissues is a crucial step to model photon migration in tissue, facilitate the design of the probe geometry, better interpret data measured from tissue and predict photon energy distributions in tissue for various diagnostic and therapeutic applications. Diffuse reflectance spectroscopy (DRS) using visible and near-infrared light is a well-known method for estimating optical properties of tissues. For estimating optical properties of muscles, most existing researches have used integrating spheres for ex-vivo measurements. However, due to inter-subject variability and sitespecific conditions, an in-vivo approach can provide more accurate estimations of muscle absorption and scattering coefficients, which is important for the tomographic reconstruction of changes in the absorption or fluorescence in tissue. In this study, we used DRS with wavelengths between 600 nm and 800 nm and a fiber bundle with source-to-detector separations in the range of 0.18-0.35 cm to quantify wavelength-dependent scattering and absorption coefficients of human muscles in vivo with an inverse Monte Carlo model. Reflectance spectra were measured on the neck and the upper arm of one volunteer. After calibrating spectra with tissue phantoms made of Intralipid and India ink, we estimated scattering and absorption coefficients of muscles. The results are compared to those measured ex vivo in the literature.

Altered rock spectra in the visible and near infrared. [western Nevada

NASA Technical Reports Server (NTRS)

Hunt, G. R.; Ashley, R. P. (Principal Investigator)

1979-01-01

The author has identified the following significant results. Visible and near-infrared (0.35 to 2.5 micron m) bidirectional reflection spectra recorded for a suite of well-characterized hydrothermally altered rock samples typically display well defined bands caused by both electronic and vibrational processes in the individual mineral constituents. Electronic transitions in the iron-bearing constituent minerals produce diagnostic minima near 0.43, 0.65, 0.85, and 0.93 micron m. Vibrational transitions in clay and water-bearing mineral constituents produce characteristic single or multiple features over limited spectral ranges near 1.4, 1.75, 1.9, 2.2, and 2.35 micron m. The most abundant feature-producing minerals present in these rocks are hematite, goethite, and alunite. Others frequently present are jarosite, kaolinite, potassium micas, pyrophyllite, montmorillonite, diaspore, and gypsum. The spectral region near 2.2 micron m is particularly important for detecting altered rocks by remote sensing.

Aqueous infrared carboxylate absorbances: Aliphatic di-acids

USGS Publications Warehouse

Cabaniss, S.E.; Leenheer, J.A.; McVey, I.F.

1998-01-01

Aqueous attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectra of 18 aliphatic di-carboxylic acids are reported as a function of pH. The spectra show isosbestic points and intensity changes which indicate that Beer's law is obeyed, and peak frequencies lie within previously reported ranges for aqueous carboxylates and pure carboxylic acids. Intensity sharing from the symmetric carboxylate stretch is evident in many cases, so that bands which are nominally due to alkyl groups show increased intensity at higher pH. The asymmetric stretch of the HA- species is linearly related to the microscopic acidity constant of the H2A species, with ??pK 2 intervening atoms). The results suggest that aqueous ATR-FTIR may be able to estimate 'intrinsic' pKa values of carboxylic acids, in addition to providing quantitative estimates of ionization. ?? 1998 Elsevier Science B.V. All rights reserved.

Baseline correction combined partial least squares algorithm and its application in on-line Fourier transform infrared quantitative analysis.

PubMed

Peng, Jiangtao; Peng, Silong; Xie, Qiong; Wei, Jiping

2011-04-01

In order to eliminate the lower order polynomial interferences, a new quantitative calibration algorithm "Baseline Correction Combined Partial Least Squares (BCC-PLS)", which combines baseline correction and conventional PLS, is proposed. By embedding baseline correction constraints into PLS weights selection, the proposed calibration algorithm overcomes the uncertainty in baseline correction and can meet the requirement of on-line attenuated total reflectance Fourier transform infrared (ATR-FTIR) quantitative analysis. The effectiveness of the algorithm is evaluated by the analysis of glucose and marzipan ATR-FTIR spectra. BCC-PLS algorithm shows improved prediction performance over PLS. The root mean square error of cross-validation (RMSECV) on marzipan spectra for the prediction of the moisture is found to be 0.53%, w/w (range 7-19%). The sugar content is predicted with a RMSECV of 2.04%, w/w (range 33-68%). Copyright © 2011 Elsevier B.V. All rights reserved.

Indirect absorption spectroscopy using quantum cascade lasers: mid-infrared refractometry and photothermal spectroscopy.

PubMed

Pfeifer, Marcel; Ruf, Alexander; Fischer, Peer

2013-11-04

We record vibrational spectra with two indirect schemes that depend on the real part of the index of refraction: mid-infrared refractometry and photothermal spectroscopy. In the former, a quantum cascade laser (QCL) spot is imaged to determine the angles of total internal reflection, which yields the absorption line via a beam profile analysis. In the photothermal measurements, a tunable QCL excites vibrational resonances of a molecular monolayer, which heats the surrounding medium and changes its refractive index. This is observed with a probe laser in the visible. Sub-monolayer sensitivities are demonstrated.

Infrared spectroscopy in biomedical diagnostics

NASA Astrophysics Data System (ADS)

Afanasyeva, Natalia I.; Kolyakov, Sergei F.; Letokhov, Vladilen S.; Artioushenko, Vjacheslav G.; Golovkina, Viktoriya N.

1998-01-01

Fiberoptic evanescent wave Fourier transform infrared (FEW- FTIR) spectroscopy using fiberoptic sensors operated in the attenuated total reflection (ATR) regime in the middle infrared (IR) region of the spectrum (850 - 1850 cm-1) has recently found application in the diagnostics of tissues. The method is suitable for noninvasive and rapid (seconds) direct measurements of the spectra of normal and pathological tissues in vitro, ex vivo and in vivo. The aim of our studies is the express testing of various tumor tissues at the early stages of their development. The method is expected to be further developed for endoscopic and biopsy applications. We measured in vivo the skin normal and malignant tissues on surface (directly on patients) in various cases of basaloma, melanoma and nevus. The experiments were performed in the operating room for measurements of skin in the depth (under/in the layers of epidermis), human breast, stomach, lung, kidney tissues. The breast and skin tissues at different stages of tumor or cancer were distinguished very clearly in spectra of amide, side cyclic and noncyclic hydrogen bonded fragments of amino acid residuals, phosphate groups and sugars. Computer monitoring is being developed for diagnostics.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jones, T.P.

Sensors for the determination of pH have been developed which are based on the immobilization of direct dyes at hydrolyzed cellulosic films. The performance and structural characteristics of the sensors were investigated by a variety of spectroscopic methods, and applications for remote sensing were developed. Films of cellulose acetate were base hydrolyzed in 0.07 M KOH to yield a porous support structure. The structural changes resulting from the hydrolysis on cellulose acetate were probed with infrared internal reflectance spectroscopy. The progress of the hydrolysis reaction was monitored by the changes in vibrational modes of the acetyl group, and other spectralmore » changes indicated changes in film thickness as a result of solvent incorporation. Direct dyes, including Congo Red and C. I. Direct Blue 8, were then immobilized at these porous cellulosic films. The optical response characteristics of the Congo Red pH sensor were characterized, including the UV-visible absorption spectra as a function of pH, the response time as a function of ionic strength and ionic size of electrolyte, the long-term stability of the sensor, the effects of metal-ion interference, and the concentration of Congo Red in the polymer film. The structural characteristics of the sensor were investigated by internal reflectance spectroscopy and resonance-enhanced Raman spectroscopy, and the protonation sites were identified as the two azo groups of Congo Red. Infrared internal reflection spectra of immobilized Congo Red led to the development of a sensor for pH based on infrared spectroscopy. Finally, a two-wavelength fiber-optic photometer, which is based on solid-state sources and detectors, and a fiber-optic photometer, which is based on solid-state sources and detectors, and a fiber-optic probe were developed for pH determinations using Congo Red and C. I. Direct Blue 8 pH sensors.« less

On mimicking diffuse reflectance spectra in the visible and near-infrared ranges for tissue-like phantom design

NASA Astrophysics Data System (ADS)

Debernardi, N.; Dunias, P.; van El, B.; Statham, A. E.

2014-03-01

A novel methodology is presented to mimic diffuse reflectance spectra of arbitrary biological tissues in the visible and near-infrared ranges. The prerequisite for this method is that the spectral information of basic components is sufficient to mimic an arbitrary tissue. Using a sterile disposable fiber optic probe the diffuse reflectance spectrum of a tissue (either in vivo or ex vivo) is measured, which forms the target spectrum. With the same type of fiber probe, a wide variety of basic components (ingredients) has been previously measured and all together forms a spectral database. A "recipe" for the optimal mixture of ingredients can then be derived using an algorithm that fits the absorption and scattering behavior of the target spectrum using the spectra of the basic components in the database. The spectral mimicking accuracy refines by adding more ingredients to the database. The validity of the principle is demonstrated by mimicking an arbitrary mixture of components. The method can be applied with different kinds of materials, e.g. gelatins, waxes and silicones, thus providing the possibility of mimicking the mechanical properties of target tissues as well. The algorithm can be extended from single point contact spectral measurement to contactless multi- and hyper-spectral camera acquisition. It can be applied to produce portable and durable tissue-like phantoms that provides consistent results over time for calibration, demonstration, comparison of instruments or other such tasks. They are also more readily available than living tissue or a cadaver and are not so limited by ease of handling and legislation; hence they are highly useful when developing new devices.

A multimodal spectroscopy system for real-time disease diagnosis

NASA Astrophysics Data System (ADS)

Šćepanović, Obrad R.; Volynskaya, Zoya; Kong, Chae-Ryon; Galindo, Luis H.; Dasari, Ramachandra R.; Feld, Michael S.

2009-04-01

The combination of reflectance, fluorescence, and Raman spectroscopy—termed multimodal spectroscopy (MMS)—provides complementary and depth-sensitive information about tissue composition. As such, MMS is a promising tool for disease diagnosis, particularly in atherosclerosis and breast cancer. We have developed an integrated MMS instrument and optical fiber spectral probe for simultaneous collection of all three modalities in a clinical setting. The MMS instrument multiplexes three excitation sources, a xenon flash lamp (370-740 nm), a nitrogen laser (337 nm), and a diode laser (830 nm), through the MMS probe to excite tissue and collect the spectra. The spectra are recorded on two spectrograph/charge-coupled device modules, one optimized for visible wavelengths (reflectance and fluorescence) and the other for the near-infrared (Raman), and processed to provide diagnostic parameters. We also describe the design and calibration of a unitary MMS optical fiber probe 2 mm in outer diameter, containing a single appropriately filtered excitation fiber and a ring of 15 collection fibers, with separate groups of appropriately filtered fibers for efficiently collecting reflectance, fluorescence, and Raman spectra from the same tissue location. A probe with this excitation/collection geometry has not been used previously to collect reflectance and fluorescence spectra, and thus physical tissue models ("phantoms") are used to characterize the probe's spectroscopic response. This calibration provides probe-specific modeling parameters that enable accurate extraction of spectral parameters. This clinical MMS system has been used recently to analyze artery and breast tissue in vivo and ex vivo.

Evaluation of apparent viscosity of Para rubber latex by diffuse reflection near-infrared spectroscopy.

PubMed

Sirisomboon, Panmanas; Chowbankrang, Rawiphan; Williams, Phil

2012-05-01

Near-infrared spectroscopy in diffuse reflection mode was used to evaluate the apparent viscosity of Para rubber field latex and concentrated latex over the wavelength range of 1100 to 2500 nm, using partial least square regression (PLSR). The model with ten principal components (PCs) developed using the raw spectra accurately predicted the apparent viscosity with correlation coefficient (r), standard error of prediction (SEP), and bias of 0.974, 8.6 cP, and -0.4 cP, respectively. The ratio of the SEP to the standard deviation (RPD) and the ratio of the SEP to the range (RER) for the prediction were 4.4 and 16.7, respectively. Therefore, the model can be used for measurement of the apparent viscosity of field latex and concentrated latex in quality assurance and process control in the factory.

Optimisation of a sample preparation procedure for the screening of fungal infection and assessment of deoxynivalenol content in maize using mid-infrared attenuated total reflection spectroscopy.

PubMed

Kos, Gregor; Lohninger, Hans; Mizaikoff, Boris; Krska, Rudolf

2007-07-01

A sample preparation procedure for the determination of deoxynivalenol (DON) using attenuated total reflection mid-infrared spectroscopy is presented. Repeatable spectra were obtained from samples featuring a narrow particle size distribution. Samples were ground with a centrifugal mill and analysed with an analytical sieve shaker. Particle sizes of <100, 100-250, 250-500, 500-710 and 710-1000 microm were obtained. Repeatability, classification and quantification abilities for DON were compared with non-sieved samples. The 100-250 microm fraction showed the best repeatability. The relative standard deviation of spectral measurements improved from 20 to 4.4% and 100% of sieved samples were correctly classified compared with 79% of non-sieved samples. The DON level in analysed fractions was a good estimate of overall toxin content.

Near-infrared CVF spectrophotometry of Saturn in 1992.

NASA Astrophysics Data System (ADS)

Molina, A.; Moreno, F.; Kidger, M.; Ortiz, J. L.

1995-06-01

Absolutely calibrated measurements of the reflectivity of Saturn in 1992 are presented. The observations were carried out using a Circular Variable Filter in combination with a photometer with a single element InSb detector at the 1.54m Carlos Sanchez infrared telescope of the Observatorio del Teide in the Canary Islands (Spain). The spectral ranges covered were 1.4-2.4μm and 2.6-4.5μm. Besides the measurements at the disk, values of the reflectance of the Saturn's rings in the West Ansa were obtained. A comparison with the few related published works is made, and the significant spectral features in this wavelength region are discussed. A spectrum of Jupiter obtained in 1993 is also presented and compared with spectra obtained by us in 1991 using the same instrumental configuration.

Empirical Measurement and Model Validation of Infrared Spectra of Contaminated Surfaces

NASA Astrophysics Data System (ADS)

Archer, Sean

The goal of this thesis was to validate predicted infrared spectra of liquid contaminated surfaces from a micro-scale bi-directional reflectance distribution function (BRDF) model through the use of empirical measurement. Liquid contaminated surfaces generally require more sophisticated radiometric modeling to numerically describe surface properties. The Digital Image and Remote Sensing Image Generation (DIRSIG) model utilizes radiative transfer modeling to generate synthetic imagery for a variety of applications. Aside from DIRSIG, a micro-scale model known as microDIRSIG has been developed as a rigorous ray tracing physics-based model that could predict the BRDF of geometric surfaces that are defined as micron to millimeter resolution facets. The model offers an extension from the conventional BRDF models by allowing contaminants to be added as geometric objects to a micro-facet surface. This model was validated through the use of Fourier transform infrared spectrometer measurements. A total of 18 different substrate and contaminant combinations were measured and compared against modeled outputs. The substrates used in this experiment were wood and aluminum that contained three different paint finishes. The paint finishes included no paint, Krylon ultra-flat black, and Krylon glossy black. A silicon based oil (SF96) was measured out and applied to each surface to create three different contamination cases for each surface. Radiance in the longwave infrared region of the electromagnetic spectrum was measured by a Design and Prototypes (D&P) Fourier transform infrared spectrometer and a Physical Sciences Inc. Adaptive Infrared Imaging Spectroradiometer (AIRIS). The model outputs were compared against the measurements quantitatively in both the emissivity and radiance domains. A temperature emissivity separation (TES) algorithm had to be applied to the measured radiance spectra for comparison with the microDIRSIG predicted emissivity spectra. The model predicted emissivity spectra was also forward modeled through a DIRSIG simulation for comparisons to the radiance measurements. The results showed a promising agreement for homogeneous surfaces with liquid contamination that could be well characterized geometrically. Limitations arose in substrates that were modeled as homogeneous surfaces, but had spatially varying artifacts due to uncertainties with contaminant and surface interactions. There is high desire for accurate physics based modeling of liquid contaminated surfaces and this validation framework may be extended to include a wider array of samples for more realistic natural surfaces that are often found in real world scenarios.

IRIS Mariner 9 Data Revisited. 1; An Instrumental Effect

NASA Technical Reports Server (NTRS)

Formisano, V.; Grassi, D.; Piccioni, G.; Pearl, John; Bjoraker, G.; Conrath, B.; Hanel, R.

1999-01-01

Small spurious features are present in data from the Mariner 9 Infrared Interferometer Spectrometer (IRIS). These represent a low amplitude replication of the spectrum with a doubled wavenumber scale. This replication arises principally from an internal reflection of the interferogram at the input window. An algorithm is provided to correct for the effect, which is at the 2% level. We believe that the small error in the uncorrected spectra does not materially affect previous results; however, it may be significant for some future studies at short wavelengths. The IRIS spectra are also affected by a coding error in the original calibration that results in only positive radiances. This reduces the effectiveness of averaging spectra to improve the signal to noise ratio at small signal levels.

Iron oxide bands in the visible and near-infrared reflectance spectra of primitive asteroids

NASA Technical Reports Server (NTRS)

Jarvis, Kandy S.; Vilas, Faith; Gaffey, Michael J.

1993-01-01

High resolution reflectance spectra of primitive asteroids (C, P, and D class and associated subclasses) have commonly revealed an absorption feature centered at 0.7 microns attributed to an Fe(2+)-Fe(3+) charge transfer transition in iron oxides and/or oxidized iron in phyllosilicates. A smaller feature identified at 0.43 microns has been attributed to an Fe(3+) spin-forbidden transition in iron oxides. In the spectra of the two main-belt primitive asteroids 368 Haidea (D) and 877 Walkure (F), weak absorption features which were centered near the location of 0.60-0.65 microns and 0.80-0.90 microns prompted a search for features at these wavelengths and an attempt to identify their origin(s). The CCD reflectance spectra obtained between 1982-1992 were reviewed for similar absorption features located near these wavelengths. The spectra of asteroids in which these absorption features have been identified are shown. These spectra are plotted in order of increasing heliocentric distance. No division of the asteroids by class has been attempted here (although the absence of these features in the anhydrous S-class asteroids, many of which have presumably undergone full heating and differentiation should be noted). For this study, each spectrum was treated as a continuum with discrete absorption features superimposed on it. For each object, a linear least squares fit to the data points defined a simple linear continuum. The linear continuum was then divided into each spectrum, thus removing the sloped continuum and permitting the intercomparison of residual spectral features.

A New and Fast Method for Smoothing Spectral Imaging Data

NASA Technical Reports Server (NTRS)

Gao, Bo-Cai; Liu, Ming; Davis, Curtiss O.

1998-01-01

The Airborne Visible Infrared Imaging Spectrometer (AVIRIS) acquires spectral imaging data covering the 0.4 - 2.5 micron wavelength range in 224 10-nm-wide channels from a NASA ER-2 aircraft at 20 km. More than half of the spectral region is affected by atmospheric gaseous absorption. Over the past decade, several techniques have been used to remove atmospheric effects from AVIRIS data for the derivation of surface reflectance spectra. An operational atmosphere removal algorithm (ATREM), which is based on theoretical modeling of atmospheric absorption and scattering effects, has been developed and updated for deriving surface reflectance spectra from AVIRIS data. Due to small errors in assumed wavelengths and errors in line parameters compiled on the HITRAN database, small spikes (particularly near the centers of the 0.94- and 1.14-micron water vapor bands) are present in this spectrum. Similar small spikes are systematically present in entire ATREM output cubes. These spikes have distracted geologists who are interested in studying surface mineral features. A method based on the "global" fitting of spectra with low order polynomials or other functions for removing these weak spikes has recently been developed by Boardman (this volume). In this paper, we describe another technique, which fits spectra "locally" based on cubic spline smoothing, for quick post processing of ATREM apparent reflectance spectra derived from AVIRIS data. Results from our analysis of AVIRIS data acquired over Cuprite mining district in Nevada in June of 1995 are given. Comparisons between our smoothed spectra and those derived with the empirical line method are presented.

Characterizing Nanophase Materials on Mars: Spectroscopic Studies of Allophane and Imogolite

NASA Technical Reports Server (NTRS)

Jeute, Thomas; Baker, Leslie; Bishop, Janice; Rampe, Elizabeth; Abidin, Zaenal

2017-01-01

Allophane is an amorphous or poorly crystalline hydrous aluminosilicate material. Allophane's chemical structure represents a hollow nanosphere, 5-6 nm in diameter with 4-7 large pores in the structure. Identification of allophane and other amorphous and nanophase minerals on Mars has provided clues about the aqueous geochemical environment there. These materials likely represent partially altered or leached basaltic ash and therefore, could represent a geologic marker for where water was present on the Martian surface; as well as indicate regions of climate change, where surface water was not present long enough or sufficiently warm to form clays. Characterization of these materials is important for increasing spectral recognition capabilities using visible/near-infrared (VNIR) and thermal infrared (TIR) spectra of Mars. A suite of synthetic allophane samples was created using a method that has been modified to produce allophane with Fe isomorphically substituted for Al in octahedral coordination. Compositions of the materials range from high-Si allophane (molar Al:Si = 1:2) to protoimogolite (Al:Si = 2:1), with Fe(3+) and Fe(2+) isomorphically substituted for Al from 0-10 mol% of total Al. These compositions span the range observed in natural terrestrial allophanes. Fe K-edge X-ray absorption spectroscopy provided information on the speciation and electrochemical and structural position of Fe in the framework. Fourier transform infrared spectroscopy confirmed syntheses and demonstrated changes in infrared spectroscopic signature with Fe substitution. VNIR reflectance spectra and TIR Thermal infrared emissivity spectra were also collected for direct comparison to Martian data. By increasing spectral recognition capacities of nanophase materials, more accurate estimates can be made on the aqueous geochemical environment of Mars.

[Analyzing and modeling methods of near infrared spectroscopy for in-situ prediction of oil yield from oil shale].

PubMed

Liu, Jie; Zhang, Fu-Dong; Teng, Fei; Li, Jun; Wang, Zhi-Hong

2014-10-01

In order to in-situ detect the oil yield of oil shale, based on portable near infrared spectroscopy analytical technology, with 66 rock core samples from No. 2 well drilling of Fuyu oil shale base in Jilin, the modeling and analyzing methods for in-situ detection were researched. By the developed portable spectrometer, 3 data formats (reflectance, absorbance and K-M function) spectra were acquired. With 4 different modeling data optimization methods: principal component-mahalanobis distance (PCA-MD) for eliminating abnormal samples, uninformative variables elimination (UVE) for wavelength selection and their combina- tions: PCA-MD + UVE and UVE + PCA-MD, 2 modeling methods: partial least square (PLS) and back propagation artificial neural network (BPANN), and the same data pre-processing, the modeling and analyzing experiment were performed to determine the optimum analysis model and method. The results show that the data format, modeling data optimization method and modeling method all affect the analysis precision of model. Results show that whether or not using the optimization method, reflectance or K-M function is the proper spectrum format of the modeling database for two modeling methods. Using two different modeling methods and four different data optimization methods, the model precisions of the same modeling database are different. For PLS modeling method, the PCA-MD and UVE + PCA-MD data optimization methods can improve the modeling precision of database using K-M function spectrum data format. For BPANN modeling method, UVE, UVE + PCA-MD and PCA- MD + UVE data optimization methods can improve the modeling precision of database using any of the 3 spectrum data formats. In addition to using the reflectance spectra and PCA-MD data optimization method, modeling precision by BPANN method is better than that by PLS method. And modeling with reflectance spectra, UVE optimization method and BPANN modeling method, the model gets the highest analysis precision, its correlation coefficient (Rp) is 0.92, and its standard error of prediction (SEP) is 0.69%.

Clouds and Hazes in Saturn's Troposphere and Stratosphere

NASA Astrophysics Data System (ADS)

Merlet, Cecile; Irwin, P.; Fletcher, L.

2012-10-01

We present new results from the analysis of Saturn's near-infrared spectra measured with the Visual and Infrared Mapping Spectrometer (VIMS) instrument on the Cassini orbiter. VIMS near-infrared data are particularly relevant for the study of clouds and hazes in the troposphere and stratosphere of Saturn. Thermal emission in the 4.5-5.1 wavelength range is absorbed and scattered mainly by tropospheric clouds and radiatively active gases. The vertical structure as well as the optical and physical properties of tropospheric aerosols are obtained from Saturn's thermal emission spectra by using the retrieval algorithm Nemesis. The distribution of tropospheric phosphine and ammonia in gas phase will also be presented here. We managed to break the degeneracies inherent to the retrieval problem by analysing Saturn's thermal emission simultaneously at various viewing geometries. By using this method, we found that VIMS spectra at 4.5-5.1 microns are also sensitive to the hazes formed above the cloud layers. Saturn's reflected sunlight spectra at 0.8-3.5 microns measured with VIMS were also analysed in order to constrain the haze properties in the upper troposphere and lower stratosphere of the planet. Results from both the 0.8-3.5 and 4.5-5.1 wavelength ranges were combined to determine the cloud and haze model most consistent with VIMS spectroscopy over a wide range of viewing geometries and lighting conditions. An increase of temperature below the tropopause, often referred to as the temperature knee, was retrieved from Cassini/CIRS spectra. Seasonal variations of the knee and haze structure are compared, and as a result the assumption of local heating by the hazes to explain this feature will be discussed.

Detectability of planetary characteristics in disk-averaged spectra. I: The Earth model.

PubMed

Tinetti, Giovanna; Meadows, Victoria S; Crisp, David; Fong, William; Fishbein, Evan; Turnbull, Margaret; Bibring, Jean-Pierre

2006-02-01

Over the next 2 decades, NASA and ESA are planning a series of space-based observatories to detect and characterize extrasolar planets. This first generation of observatories will not be able to spatially resolve the terrestrial planets detected. Instead, these planets will be characterized by disk-averaged spectroscopy. To assess the detectability of planetary characteristics in disk-averaged spectra, we have developed a spatially and spectrally resolved model of the Earth. This model uses atmospheric and surface properties from existing observations and modeling studies as input, and generates spatially resolved high-resolution synthetic spectra using the Spectral Mapping Atmospheric Radiative Transfer model. Synthetic spectra were generated for a variety of conditions, including cloud coverage, illumination fraction, and viewing angle geometry, over a wavelength range extending from the ultraviolet to the farinfrared. Here we describe the model and validate it against disk-averaged visible to infrared observations of the Earth taken by the Mars Global Surveyor Thermal Emission Spectrometer, the ESA Mars Express Omega instrument, and ground-based observations of earthshine reflected from the unilluminated portion of the Moon. The comparison between the data and model indicates that several atmospheric species can be identified in disk-averaged Earth spectra, and potentially detected depending on the wavelength range and resolving power of the instrument. At visible wavelengths (0.4-0.9 microm) O3, H2O, O2, and oxygen dimer [(O2)2] are clearly apparent. In the mid-infrared (5-20 microm) CO2, O3, and H2O are present. CH4, N2O, CO2, O3, and H2O are visible in the near-infrared (1-5 microm). A comprehensive three-dimensional model of the Earth is needed to produce a good fit with the observations.

Infrared Reflectance Analysis of Epitaxial n-Type Doped GaN Layers Grown on Sapphire.

PubMed

Tsykaniuk, Bogdan I; Nikolenko, Andrii S; Strelchuk, Viktor V; Naseka, Viktor M; Mazur, Yuriy I; Ware, Morgan E; DeCuir, Eric A; Sadovyi, Bogdan; Weyher, Jan L; Jakiela, Rafal; Salamo, Gregory J; Belyaev, Alexander E

2017-12-01

Infrared (IR) reflectance spectroscopy is applied to study Si-doped multilayer n + /n 0 /n + -GaN structure grown on GaN buffer with GaN-template/sapphire substrate. Analysis of the investigated structure by photo-etching, SEM, and SIMS methods showed the existence of the additional layer with the drastic difference in Si and O doping levels and located between the epitaxial GaN buffer and template. Simulation of the experimental reflectivity spectra was performed in a wide frequency range. It is shown that the modeling of IR reflectance spectrum using 2 × 2 transfer matrix method and including into analysis the additional layer make it possible to obtain the best fitting of the experimental spectrum, which follows in the evaluation of GaN layer thicknesses which are in good agreement with the SEM and SIMS data. Spectral dependence of plasmon-LO-phonon coupled modes for each GaN layer is obtained from the spectral dependence of dielectric of Si doping impurity, which is attributed to compensation effects by the acceptor states.

Harvest-time prediction of apple physiological indices using fiber optic Fourier transform near-infrared spectrometer

NASA Astrophysics Data System (ADS)

Liu, Yande; Ying, Yibin; Lu, Huishan; Fu, Xiaping

2004-12-01

This work evaluates the feasibility of Fourier transform near infrared (FT-NIR) spectrometry for rapid determining the total soluble solids content and acidity of apple fruit. Intact apple fruit were measured by reflectance FT-NIR in 800-2500 nm range. FT-NIR models were developed based on partial least square (PLS) regression and principal component regress (PCR) with respect to the reflectance and its first derivative, the logarithms of the reflectance reciprocal and its second derivative. The above regression models, related the FT-NIR spectra to soluble solids content (SSC), titratable acidity (TA) and available acidity (pH). The best combination, based on the prediction results, was PLS models with respect to the logarithms of the reflectance reciprocal. Predictions with PLS models resulted standard errors of prediction (SEP) of 0.455, 0.044 and 0.068, and correlation coefficients of 0.968, 0.728 and 0.831 for SSC, TA and pH, respectively. It was concluded that by using the FT-NIR spectrometry measurement system, in the appropriate spectral range, it is possible to nondestructively assess the maturity factors of apple fruit.

Determination of blood oxygenation in the brain by time-resolved reflectance spectroscopy: influence of the skin, skull, and meninges

NASA Astrophysics Data System (ADS)

Hielscher, Andreas H.; Liu, Hanli; Wang, Lihong V.; Tittel, Frank K.; Chance, Britton; Jacques, Steven L.

1994-07-01

Near infrared light has been used for the determination of blood oxygenation in the brain but little attention has been paid to the fact that the states of blood oxygenation in arteries, veins, and capillaries differ substantially. In this study, Monte Carlo simulations for a heterogeneous system were conducted, and near infrared time-resolved reflectance measurements were performed on a heterogeneous tissue phantom model. The model was made of a solid polyester resin, which simulates the tissue background. A network of tubes was distributed uniformly through the resin to simulate the blood vessels. The time-resolved reflectance spectra were taken with different absorbing solutions filled in the network. Based on the simulation and experimental results, we investigated the dependence of the absorption coefficient obtained from the heterogeneous system on the absorption of the actual absorbing solution filled in the tubes. We show that light absorption by the brain should result from the combination of blood and blood-free tissue background.

Atmospheric correction of SeaWiFS imagery for turbid coastal and inland waters.

PubMed

Ruddick, K G; Ovidio, F; Rijkeboer, M

2000-02-20

The standard SeaWiFS atmospheric correction algorithm, designed for open ocean water, has been extended for use over turbid coastal and inland waters. Failure of the standard algorithm over turbid waters can be attributed to invalid assumptions of zero water-leaving radiance for the near-infrared bands at 765 and 865 nm. In the present study these assumptions are replaced by the assumptions of spatial homogeneity of the 765:865-nm ratios for aerosol reflectance and for water-leaving reflectance. These two ratios are imposed as calibration parameters after inspection of the Rayleigh-corrected reflectance scatterplot. The performance of the new algorithm is demonstrated for imagery of Belgian coastal waters and yields physically realistic water-leaving radiance spectra. A preliminary comparison with in situ radiance spectra for the Dutch Lake Markermeer shows significant improvement over the standard atmospheric correction algorithm. An analysis is made of the sensitivity of results to the choice of calibration parameters, and perspectives for application of the method to other sensors are briefly discussed.

Spectral Mining for Discriminating Blood Origins in the Presence of Substrate Interference via Attenuated Total Reflection Fourier Transform Infrared Spectroscopy: Postmortem or Antemortem Blood?

PubMed

Takamura, Ayari; Watanabe, Ken; Akutsu, Tomoko; Ikegaya, Hiroshi; Ozawa, Takeaki

2017-09-19

Often in criminal investigations, discrimination of types of body fluid evidence is crucially important to ascertain how a crime was committed. Compared to current methods using biochemical techniques, vibrational spectroscopic approaches can provide versatile applicability to identify various body fluid types without sample invasion. However, their applicability is limited to pure body fluid samples because important signals from body fluids incorporated in a substrate are affected strongly by interference from substrate signals. Herein, we describe a novel approach to recover body fluid signals that are embedded in strong substrate interferences using attenuated total reflection Fourier transform infrared (ATR FT-IR) spectroscopy and an innovative multivariate spectral processing. This technique supported detection of covert features of body fluid signals, and then identified origins of body fluid stains on substrates. We discriminated between ATR FT-IR spectra of postmortem blood (PB) and those of antemortem blood (AB) by creating a multivariate statistics model. From ATR FT-IR spectra of PB and AB stains on interfering substrates (polyester, cotton, and denim), blood-originated signals were extracted by a weighted linear regression approach we developed originally using principal components of both blood and substrate spectra. The blood-originated signals were finally classified by the discriminant model, demonstrating high discriminant accuracy. The present method can identify body fluid evidence independently of the substrate type, which is expected to promote the application of vibrational spectroscopic techniques in forensic body fluid analysis.

Cyclic Colour Change in the Bearded Dragon Pogona vitticeps under Different Photoperiods

PubMed Central

Fan, Marie; Stuart-Fox, Devi; Cadena, Viviana

2014-01-01

The ability to change colour rapidly is widespread among ectotherms and has various functions including camouflage, communication and thermoregulation. The process of colour change can occur as an aperiodic event or be rhythmic, induced by cyclic environmental factors or regulated by internal oscillators. Despite the importance of colour change in reptile ecology, few studies have investigated the occurrence of a circadian rhythm in lizard pigmentation. Additionally, although colour change also entails changes in near-infrared reflectance, which may affect thermoregulation, little research has examined this part of the spectrum. We tested whether the bearded dragon lizard, Pogona vitticeps, displays an endogenous circadian rhythm in pigmentation changes that could be entrained by light/dark (LD) cycles and how light affected the relative change in reflectance in both ultraviolet-visible and near-infrared spectra. We subjected 11 lizards to four photoperiodic regimens: LD 12∶12; LD 6∶18; LD 18∶6 and DD; and measured their dorsal skin reflectance at 3-hour intervals for 72 hours after a habituation period. A proportion of lizards displayed a significant rhythm under constant darkness, with maximum reflectance occurring in the subjective night. This endogenous rhythm synchronised to the different artificial LD cycles, with maximum reflectance occurring during dark phases, but did not vary in amplitude. In addition, the total ultraviolet-visible reflectance in relation to the total near-infrared reflectance was significantly higher during dark phases than during light phases. We conclude that P. vitticeps exhibits a circadian pigmentation rhythm of constant amplitude, regulated by internal oscillators and that can be entrained by light/dark cycles. PMID:25354192

Cyclic colour change in the bearded dragon Pogona vitticeps under different photoperiods.

PubMed

Fan, Marie; Stuart-Fox, Devi; Cadena, Viviana

2014-01-01

The ability to change colour rapidly is widespread among ectotherms and has various functions including camouflage, communication and thermoregulation. The process of colour change can occur as an aperiodic event or be rhythmic, induced by cyclic environmental factors or regulated by internal oscillators. Despite the importance of colour change in reptile ecology, few studies have investigated the occurrence of a circadian rhythm in lizard pigmentation. Additionally, although colour change also entails changes in near-infrared reflectance, which may affect thermoregulation, little research has examined this part of the spectrum. We tested whether the bearded dragon lizard, Pogona vitticeps, displays an endogenous circadian rhythm in pigmentation changes that could be entrained by light/dark (LD) cycles and how light affected the relative change in reflectance in both ultraviolet-visible and near-infrared spectra. We subjected 11 lizards to four photoperiodic regimens: LD 12:12; LD 6:18; LD 18:6 and DD; and measured their dorsal skin reflectance at 3-hour intervals for 72 hours after a habituation period. A proportion of lizards displayed a significant rhythm under constant darkness, with maximum reflectance occurring in the subjective night. This endogenous rhythm synchronised to the different artificial LD cycles, with maximum reflectance occurring during dark phases, but did not vary in amplitude. In addition, the total ultraviolet-visible reflectance in relation to the total near-infrared reflectance was significantly higher during dark phases than during light phases. We conclude that P. vitticeps exhibits a circadian pigmentation rhythm of constant amplitude, regulated by internal oscillators and that can be entrained by light/dark cycles.

Authentication of Whey Protein Powders by Portable Mid-Infrared Spectrometers Combined with Pattern Recognition Analysis.

PubMed

Wang, Ting; Tan, Siow Ying; Mutilangi, William; Aykas, Didem P; Rodriguez-Saona, Luis E

2015-10-01

The objective of this study was to develop a simple and rapid method to differentiate whey protein types (WPC, WPI, and WPH) used for beverage manufacturing by combining the spectral signature collected from portable mid-infrared spectrometers and pattern recognition analysis. Whey protein powders from different suppliers are produced using a large number of processing and compositional variables, resulting in variation in composition, concentration, protein structure, and thus functionality. Whey protein powders including whey protein isolates, whey protein concentrates and whey protein hydrolysates were obtained from different suppliers and their spectra collected using portable mid-infrared spectrometers (single and triple reflection) by pressing the powder onto an Attenuated Total Reflectance (ATR) diamond crystal with a pressure clamp. Spectra were analyzed by soft independent modeling of class analogy (SIMCA) generating a classification model showing the ability to differentiate whey protein types by forming tight clusters with interclass distance values of >3, considered to be significantly different from each other. The major bands centered at 1640 and 1580 cm(-1) were responsible for separation and were associated with differences in amide I and amide II vibrations of proteins, respectively. Another important band in whey protein clustering was associated with carboxylate vibrations of acidic amino acids (∼1570 cm(-1)). The use of a portable mid-IR spectrometer combined with pattern recognition analysis showed potential for discriminating whey protein ingredients that can help to streamline the analytical procedure so that it is more applicable for field-based screening of ingredients. A rapid, simple and accurate method was developed to authenticate commercial whey protein products by using portable mid-infrared spectrometers combined with chemometrics, which could help ensure the functionality of whey protein ingredients in food applications. © 2015 Institute of Food Technologists®

The Shell Seeker: What Is the Quantity of Shell in the Lido di Venezia Sand? A Calibration DRIFTS Experiment

ERIC Educational Resources Information Center

Pezzolo, Alessandra De Lorenzi

2011-01-01

In this experiment, students are given a fanciful application of the standard addition method to evaluate the approximate quantity of the shell component in a sample of sand collected on the Lido di Venezia seashore. Several diffuse reflectance infrared Fourier transform (DRIFT) spectra are recorded from a sand sample before and after addition of…

Sensing cocaine in saliva with attenuated total reflection infrared (ATR-IR) spectroscopy combined with a one-step extraction method

NASA Astrophysics Data System (ADS)

Hans, Kerstin M.-C.; Gianella, Michele; Sigrist, Markus W.

2012-03-01

On-site drug tests have gained importance, e.g., for protecting the society from impaired drivers. Since today's drug tests are majorly only positive/negative, there is a great need for a reliable, portable and preferentially quantitative drug test. In the project IrSens we aim to bridge this gap with the development of an optical sensor platform based on infrared spectroscopy and focus on cocaine detection in saliva. We combine a one-step extraction method, a sample drying technique and infrared attenuated total reflection (ATR) spectroscopy. As a first step we have developed an extraction technique that allows us to extract cocaine from saliva to an almost infrared-transparent solvent and to record ATR spectra with a commercially available Fourier Transform-infrared spectrometer. To the best of our knowledge this is the first time that such a simple and easy-to-use one-step extraction method is used to transfer cocaine from saliva into an organic solvent and detect it quantitatively. With this new method we are able to reach a current limit of detection around 10 μg/ml. This new extraction method could also be applied to waste water monitoring and controlling caffeine content in beverages.

Lunar and Planetary Science XXXV: Asteroids, Meteors, Comets

NASA Technical Reports Server (NTRS)

2004-01-01

Reports included:Long Term Stability of Mars Trojans; Horseshoe Asteroids and Quasi-satellites in Earth-like Orbits; Effect of Roughness on Visible Reflectance Spectra of Planetary Surface; SUBARU Spectroscopy of Asteroid (832) Karin; Determining Time Scale of Space Weathering; Change of Asteroid Reflectance Spectra by Space Weathering: Pulse Laser Irradiation on Meteorite Samples; Reflectance Spectra of CM2 Chondrite Mighei Irradiated with Pulsed Laser and Implications for Low-Albedo Asteroids and Martian Moons; Meteorite Porosities and Densities: A Review of Trends in the Data; Small Craters in the Inner Solar System: Primaries or Secondaries or Both?; Generation of an Ordinary-Chondrite Regolith by Repetitive Impact; Asteroid Modal Mineralogy Using Hapke Mixing Models: Validation with HED Meteorites; Particle Size Effect in X-Ray Fluorescence at a Large Phase Angle: Importance on Elemental Analysis of Asteroid Eros (433); An Investigation into Solar Wind Depletion of Sulfur in Troilite; Photometric Behaviour Dependent on Solar Phase Angle and Physical Characteristics of Binary Near-Earth-Asteroid (65803) 1996 GT; Spectroscopic Observations of Asteroid 4 Vesta from 1.9 to 3.5 micron: Evidence of Hydrated and/or Hydroxylated Minerals; Multi-Wavelength Observations of Asteroid 2100 Ra-Shalom: Visible, Infrared, and Thermal Spectroscopy Results; New Peculiarities of Cometary Outburst Activity; Preliminary Shape Modeling for the Asteroid (25143) Itokawa, AMICA of Hayabusa Mission; Scientific Capability of MINERVA Rover in Hayabusa Asteroid Mission; Characteristics and Current Status of Near Infrared Spectrometer for Hayabusa Mission; Sampling Strategy and Curation Plan of Hayabusa Asteroid Sample Return Mission; Visible/Near-Infrared Spectral Properties of MUSES C Target Asteroid 25143 Itokawa; Calibration of the NEAR XRS Solar Monitor; Modeling Mosaic Degradation of X-Ray Measurements of 433 Eros by NEAR-Shoemaker; Scattered Light Remediation and Recalibration of near Sheomaker s NIS Global Dataaset at 433 Eros; Evaluation of Preparation and Measuring Techniques for Interplanetary Dust Particles for the MIDAS Experiment on Rosetta; Chiron: a Proposed Remote Sensing Prompt Gamma Ray Activation Analysis Instrument for a Nuclear Powered Prometheus Mission;From Present Surveying to Future Prospecting of the Asteroid Belt; Asteroid Physical Properties Probe Microgravity Testing of a Surface Sampling System for Sample Return from Small Solar System Bodies;and Penetrator Coring Apparatus for Cometary Surfaces.

Mid-infrared spectra of comet nuclei

NASA Astrophysics Data System (ADS)

Kelley, Michael S. P.; Woodward, Charles E.; Gehrz, Robert D.; Reach, William T.; Harker, David E.

2017-03-01

Comet nuclei and D-type asteroids have several similarities at optical and near-IR wavelengths, including near-featureless red reflectance spectra, and low albedos. Mineral identifications based on these characteristics are fraught with degeneracies, although some general trends can be identified. In contrast, spectral emissivity features in the mid-infrared provide important compositional information that might not otherwise be achievable. Jovian Trojan D-type asteroids have emissivity features strikingly similar to comet comae, suggesting that they have the same compositions and that the surfaces of the Trojans are highly porous. However, a direct comparison between a comet and asteroid surface has not been possible due to the paucity of spectra of comet nuclei at mid-infrared wavelengths. We present 5-35 μm thermal emission spectra of comets 10P/Tempel 2, and 49P/Arend-Rigaux observed with the Infrared Spectrograph on the Spitzer Space Telescope. Our analysis reveals no evidence for a coma or tail at the time of observation, suggesting the spectra are dominated by the comet nucleus. We fit each spectrum with the near-Earth asteroid thermal model (NEATM) and find sizes in agreement with previous values. However, the NEATM beaming parameters of the nuclei, 0.74-0.83, are systematically lower than the Jupiter-family comet population mean of 1.03 ± 0.11, derived from 16- and 22-μm photometry. We suggest this may be either an artifact of the spectral reduction, or the consequence of an emissivity low near 16 μm. When the spectra are normalized by the NEATM model, a weak 10-μm silicate plateau is evident, with a shape similar to those seen in mid-infrared spectra of D-type asteroids. A silicate plateau is also evident in previously published Spitzer spectra of the nucleus of comet 9P/Tempel 1. We compare, in detail, these comet nucleus emission features to those seen in spectra of the Jovian Trojan D-types (624) Hektor, (911) Agamemnon, and (1172) Aneas, as well as those seen in the spectra of seven comet comae. The comet comae present silicate features with two distinct shapes, either trapezoidal, or more rounded, the latter apparently due to enhanced emission near 8 to 8.5 μm. The surfaces of Tempel 2, Arend-Rigaux, and Hektor best agree with the comae that present trapezoidal features, furthering the hypothesis that the surfaces of these targets must have high porosities in order to exhibit a spectrum similar to a comet coma. An emissivity minimum at 15 μm, present in the spectra of Tempel 2, Arend-Rigaux, Hektor, and Agamemnon, is also described, the origin of which remains unidentified. The compositional similarity between D-type asteroids and comets is discussed, and our data supports the hypothesis that they have similar origins in the early Solar System.

Saturn's icy satellites investigated by Cassini-VIMS. I. Full-disk properties: 350-5100 nm reflectance spectra and phase curves

USGS Publications Warehouse

Filacchione, G.; Capaccioni, F.; McCord, T.B.; Coradini, A.; Cerroni, P.; Bellucci, G.; Tosi, F.; D'Aversa, E.; Formisano, V.; Brown, R.H.; Baines, K.H.; Bibring, J.-P.; Buratti, B.J.; Clark, R.N.; Combes, M.; Cruikshank, D.P.; Drossart, P.; Jaumann, R.; Langevin, Y.; Matson, D.L.; Mennella, V.; Nelson, R.M.; Nicholson, P.D.; Sicardy, B.; Sotin, Christophe; Hansen, G.; Hibbitts, K.; Showalter, M.; Newman, S.

2007-01-01

Saturn's icy satellites are among the main scientific objectives of the Cassini-VIMS (Visual and Infrared Mapping Spectrometer) experiment. This paper contains a first systematic and comparative analysis of the full-disk spectral properties of Dione, Enceladus, Epimetheus, Hyperion, Iapetus, Mimas, Phoebe, Rhea and Tethys as observed by VIMS from July 2004 to June 2005. The disk integrated properties (350-5100 nm reflectance spectra and phase curves at 550-2232 nm) and images of satellites are reported and discussed in detail together with the observed geometry. In general, the spectra in the visible spectral range are almost featureless and can be classified according to the spectral slopes: from the bluish Enceladus and Phoebe to the redder Iapetus, Hyperion and Epimetheus. In the 1000-1300 nm range the spectra of Enceladus, Tethys, Mimas and Rhea are characterized by a negative slope, consistent with a surface largely dominated by water ice, while the spectra of Iapetus, Hyperion and Phoebe show a considerable reddening pointing out the relevant role played by darkening materials present on the surface. In between these two classes are Dione and Epimetheus, which have a flat spectrum in this range. The main absorption bands identified in the infrared are the 1520, 2020, 3000 nm H2O/OH bands (for all satellites), although Iapetus dark terrains show mostly a deep 3000 nm band while the 1520 and 2020 nm bands are very faint. In this spectral range, the Iapetus spectrum is characterized by a strong reddening. The CO2 band at 4260 nm and the Fresnel ice peak around 3100 nm are evident only on Hyperion, Phoebe and Iapetus. The phase curves at 550 and at 2232 nm are reported for all the available observations in the 0??-144?? range; Rhea shows an opposition surge at visible wavelengths in the 0.5??-1.17?? interval. The improvement on the retrieval of the full-disk reflectance spectra can be appreciated by a direct comparison with ground-based telescopic data available from literature. Finally, data processing strategies and recent upgrades introduced in the VIMS-V calibration pipeline (flat-field and destriping-despiking algorithm) are discussed in appendices. ?? 2006 Elsevier Inc. All rights reserved.

Comparative evaluation of bioactivity of crystalline trypsin for drying by Fourier-transformed infrared spectroscopy.

PubMed

Otsuka, Makoto; Fukui, Yuya; Ozaki, Yukihiro

2009-03-01

The purpose of this study was to evaluate the enzymatic stability of colloidal trypsin powder during heating in a solid-state by using Fourier transform infrared (FT-IR) spectra with chemoinformatics and generalized two-dimensional (2D) correlation spectroscopy. Colloidal crystalline trypsin powders were heated using differential scanning calorimetry. The enzymatic activity of trypsin was assayed by the kinetic degradation method. Spectra of 10 calibration sample sets were recorded three times with a FT-IR spectrometer. The maximum intensity at 1634cm(-1) of FT-IR spectra and enzymatic activity of trypsin decreased as the temperature increased. The FT-IR spectra of trypsin samples were analyzed by a principal component regression analysis (PCR). A plot of the calibration data obtained was made between the actual and predicted trypsin activity based on a two-component model with gamma(2)=0.962. On the other hand, a 2D method was applied to FT-IR spectra of heat-treated trypsin. The result was consistent with that of the chemoinformetrical method. The results for deactivation of colloidal trypsin powder by heat-treatment indicated that nano-structure of crystalline trypsin changed by heating reflecting that the beta-sheet was mainly transformed, since the peak at 1634cm(-1) decreased with dehydration. The FT-IR chemoinformetrical method allows for a solid-state quantitative analysis of the bioactivity of the bulk powder of trypsin during drying.

Fourier transform-infrared spectroscopic methods for microbial ecology: analysis of bacteria, bacteria-polymer mixtures and biofilms

NASA Technical Reports Server (NTRS)

Nichols, P. D.; Henson, J. M.; Guckert, J. B.; Nivens, D. E.; White, D. C.

1985-01-01

Fourier transform-infrared (FT-IR) spectroscopy has been used to rapidly and nondestructively analyze bacteria, bacteria-polymer mixtures, digester samples and microbial biofilms. Diffuse reflectance FT-IR (DRIFT) analysis of freeze-dried, powdered samples offered a means of obtaining structural information. The bacteria examined were divided into two groups. The first group was characterized by a dominant amide I band and the second group of organisms displayed an additional strong carbonyl stretch at approximately 1740 cm-1. The differences illustrated by the subtraction spectra obtained for microbes of the two groups suggest that FT-IR spectroscopy can be utilized to recognize differences in microbial community structure. Calculation of specific band ratios has enabled the composition of bacteria and extracellular or intracellular storage product polymer mixtures to be determined for bacteria-gum arabic (amide I/carbohydrate C-O approximately 1150 cm-1) and bacteria-poly-beta-hydroxybutyrate (amide I/carbonyl approximately 1740 cm-1). The key band ratios correlate with the compositions of the material and provide useful information for the application of FT-IR spectroscopy to environmental biofilm samples and for distinguishing bacteria grown under differing nutrient conditions. DRIFT spectra have been obtained for biofilms produced by Vibrio natriegens on stainless steel disks. Between 48 and 144 h, an increase in bands at approximately 1440 and 1090 cm-1 was seen in FT-IR spectra of the V. natriegens biofilm. DRIFT spectra of mixed culture effluents of anaerobic digesters show differences induced by shifts in input feedstocks. The use of flow-through attenuated total reflectance has permitted in situ real-time changes in biofilm formation to be monitored and provides a powerful tool for understanding the interactions within adherent microbial consortia.

AVIRIS study of Death Valley evaporite deposits using least-squares band-fitting methods

NASA Technical Reports Server (NTRS)

Crowley, J. K.; Clark, R. N.

1992-01-01

Minerals found in playa evaporite deposits reflect the chemically diverse origins of ground waters in arid regions. Recently, it was discovered that many playa minerals exhibit diagnostic visible and near-infrared (0.4-2.5 micron) absorption bands that provide a remote sensing basis for observing important compositional details of desert ground water systems. The study of such systems is relevant to understanding solute acquisition, transport, and fractionation processes that are active in the subsurface. Observations of playa evaporites may also be useful for monitoring the hydrologic response of desert basins to changing climatic conditions on regional and global scales. Ongoing work using Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) data to map evaporite minerals in the Death Valley salt pan is described. The AVIRIS data point to differences in inflow water chemistry in different parts of the Death Valley playa system and have led to the discovery of at least two new North American mineral occurrences. Seven segments of AVIRIS data were acquired over Death Valley on 31 July 1990, and were calibrated to reflectance by using the spectrum of a uniform area of alluvium near the salt pan. The calibrated data were subsequently analyzed by using least-squares spectral band-fitting methods, first described by Clark and others. In the band-fitting procedure, AVIRIS spectra are fit compared over selected wavelength intervals to a series of library reference spectra. Output images showing the degree of fit, band depth, and fit times the band depth are generated for each reference spectrum. The reference spectra used in the study included laboratory data for 35 pure evaporite spectra extracted from the AVIRIS image cube. Additional details of the band-fitting technique are provided by Clark and others elsewhere in this volume.

Rapid and non-destructive assessment of polyunsaturated fatty acids contents in Salmon using near-infrared hyperspectral imaging

NASA Astrophysics Data System (ADS)

Tao, Feifei; Mba, Ogan; Liu, Li; Ngadi, Michael

2017-04-01

Polyunsaturated fatty acids (PUFAs) are important nutrients present in Salmon. However, current methods for quantifying the fatty acids (FAs) contents in foods are generally based on gas chromatography (GC) technique, which is time-consuming, laborious and destructive to the tested samples. Therefore, the capability of near-infrared (NIR) hyperspectral imaging to predict the PUFAs contents of C20:2 n-6, C20:3 n-6, C20:5 n-3, C22:5 n-3 and C22:6 n-3 in Salmon fillets in a rapid and non-destructive way was investigated in this work. Mean reflectance spectra were first extracted from the region of interests (ROIs), and then the spectral pre-processing methods of 2nd derivative and Savitzky-Golay (SG) smoothing were performed on the original spectra. Based on the original and the pre-processed spectra, PLSR technique was employed to develop the quantitative models for predicting each PUFA content in Salmon fillets. The results showed that for all the studied PUFAs, the quantitative models developed using the pre-processed reflectance spectra by "2nd derivative + SG smoothing" could improve their modeling results. Good prediction results were achieved with RP and RMSEP of 0.91 and 0.75 mg/g dry weight, 0.86 and 1.44 mg/g dry weight, 0.82 and 3.01 mg/g dry weight for C20:3 n-6, C22:5 n-3 and C20:5 n-3, respectively after pre-processing by "2nd derivative + SG smoothing". The work demonstrated that NIR hyperspectral imaging could be a useful tool for rapid and non-destructive determination of the PUFA contents in fish fillets.

Optical spectroscopic characterizations of laser irradiated olivine grains

NASA Astrophysics Data System (ADS)

Yang, Yazhou; Zhang, Hao; Wang, Ziwei; Yuan, Ye; Li, Shaolin; Hsu, Weibiao; Liu, Chujian

2017-01-01

Context. Visible and near-infrared spectra of asteroids are known to be susceptible to nanophase irons produced by space weathering processes, thus making mineral identifications difficult. Mid-infrared spectroscopy may retain more mineral features owing to its lattice vibrational nature. Aims: We investigate the structure and reflectance spectral feature changes of olivine grains before and after simulated space weathering. Methods: We irradiate olivine grains by using pulsed laser to simulate varying degrees of micrometeorite bombardments. Reflectance measurements from 0.5 to 25 μm and radiative transfer calculations were carried out in order to compare them with each other. Results: Both the experimental simulations and modeling results indicate that the mid-infrared spectral features of olivine grains can survive the intense irradiations. Although the Christansen Feature is slightly shifted to longer wavelength, major vibrational bands remain essentially unchanged, because the lattice structure is quite immune to even the strongest irradiations, as revealed by both the X-ray diffraction and Raman scattering measurements. Conclusions: Mid-infrared spectroscopy is much more immune to productions of nanophase irons and amorphous materials and thus may be used more reliably in remote detections of minerals on asteroid surfaces.

Identification of recently handled materials by analysis of latent human fingerprints using infrared spectromicroscopy.

PubMed

Grant, Ashleigh; Wilkinson, T J; Holman, Derek R; Martin, Michael C

2005-09-01

Analysis of fingerprints has predominantly focused on matching the pattern of ridges to a specific person as a form of identification. The present work focuses on identifying extrinsic materials that are left within a person's fingerprint after recent handling of such materials. Specifically, we employed infrared spectromicroscopy to locate and positively identify microscopic particles from a mixture of common materials in the latent human fingerprints of volunteer subjects. We were able to find and correctly identify all test substances based on their unique infrared spectral signatures. Spectral imaging is demonstrated as a method for automating recognition of specific substances in a fingerprint. We also demonstrate the use of attenuated total reflectance (ATR) and synchrotron-based infrared spectromicroscopy for obtaining high-quality spectra from particles that were too thick or too small, respectively, for reflection/absorption measurements. We believe the application of this rapid, nondestructive analytical technique to the forensic study of latent human fingerprints has the potential to add a new layer of information available to investigators. Using fingerprints to not only identify who was present at a crime scene, but also to link who was handling key materials, will be a powerful investigative tool.

SEM and TEM Observation of the Surfaces of the Fine-Grained Particles Retrieved from the Muses-C Regio on the Asteroid 25413 Itokawa

NASA Technical Reports Server (NTRS)

Noguchi, T.; Nakamura, T.; Zolensky, Michael E.; Tanaka, M.; Hashimoto, T.; Konno, M.; Nakato, A.; Ogami, T.; Fujimura, A.; Abe, M.;

Multivariate Analysis of Combined Fourier Transform Near-Infrared Spectrometry (FT-NIR) and Raman Datasets for Improved Discrimination of Drying Oils.

PubMed

Carlesi, Serena; Ricci, Marilena; Cucci, Costanza; La Nasa, Jacopo; Lofrumento, Cristiana; Picollo, Marcello; Becucci, Maurizio

2015-07-01

This work explores the application of chemometric techniques to the analysis of lipidic paint binders (i.e., drying oils) by means of Raman and near-infrared spectroscopy. These binders have been widely used by artists throughout history, both individually and in mixtures. We prepared various model samples of the pure binders (linseed, poppy seed, and walnut oils) obtained from different manufacturers. These model samples were left to dry and then characterized by Raman and reflectance near-infrared spectroscopy. Multivariate analysis was performed by applying principal component analysis (PCA) on the first derivative of the corresponding Raman spectra (1800-750 cm(-1)), near-infrared spectra (6000-3900 cm(-1)), and their combination to test whether spectral differences could enable samples to be distinguished on the basis of their composition. The vibrational bands we found most useful to discriminate between the different products we studied are the fundamental ν(C=C) stretching and methylenic stretching and bending combination bands. The results of the multivariate analysis demonstrated the potential of chemometric approaches for characterizing and identifying drying oils, and also for gaining a deeper insight into the aging process. Comparison with high-performance liquid chromatography data was conducted to check the PCA results.

Detection of Soluble and Fixed NH4+ in Clay Minerals by DTA and IR Reflectance Spectroscopy : A Potential Tool for Planetary Surface Exploration

NASA Technical Reports Server (NTRS)

Janice, Bishop; Banin, A.; Mancinelli, R. L.; Klovstad, M. R.; DeVincenzi, Donald L. (Technical Monitor)

2001-01-01

Nitrogen is an essential element for life. It is the only element among the six major biogenic elements, C, O, S, O, P, H, whose presence in the Martian soil has not been positively and directly established. We describe here a study assessing the ability to detect NH4 in soils by two methods: differential thermal analysis (DTA) and infrared (IR) reflectance spectroscopy. Four standard clay minerals (kaolinite, montmorillonite, illite and attapulgite) and an altered tephra sample from Mauna Kea were treated with NH4 in this study. Samples of the NH4-treated and leached clays were analyzed by DTA and infrared (IR) reflectance spectroscopy to quantify the delectability of soluble and sorbed/fixed NH4. An exotherm at 270-280 C was clearly detected in the DTA curves of NH4-treated (non-leached) samples. This feature is assigned to the thermal decomposition reaction of NH4. Spectral bands observed at 1.56, 2.05, 2.12, 3.06, 3.3, 3.5, 5.7 and 7.0 microns in the reflectance spectra of NH4-treated and leached samples are assigned to the sorbed/fixed ammonium in the clays. The montmorillonite has shown the most intense absorbance due to fixed ammonium among the leached samples in this study, as a result of its high cation sorption capacity. It is concluded that the presence of sorbed or fixed NH4 in clays may be detected by infrared (IR) reflectance or emission spectroscopy. Distinction between soluble and sorbed NH4 may be achieved through the presence or absence of several spectral features assigned to the sorbed NH4 moietyi and, specifically, by use of the 4.2 micrometer feature assigned to solution NH4. Thermal analyses furnish supporting evidence of ammonia in our study through detection of N released at temperatures of 270-330 C. Based on these results it is estimated that IR spectra measured from a rover should be able to detect ammonia if present above 20 mg NH4/g sample in the surface layers. Orbital IR spectra and thermal analyses measured on a rover may be able to detect ammonia in soils as well but at higher abundances. The spectral features at 3.06 and 7.0 microns due to bound NH4 in clays and altered Hawaiian tephra appear to be the most promising for detection by orbital spectrometers. If N species are present on Mars the sedimentary deposits may be the best regions to look for them.

Short-wavelength infrared (1.3-2.6 μm) observations of the nucleus of Comet 19P/Borrelly

USGS Publications Warehouse

Soderblom, L.A.; Britt, D.T.; Brown, R.H.; Buratti, B.J.; Kirk, R.L.; Owen, T.C.; Yelle, R.V.

2004-01-01

During the last two minutes before closest approach of Deep Space 1 to Comet 19P/Borrelly, a long exposure was made with the short-wavelength infrared (SWIR) imaging spectrometer. The observation yielded 46 spectra covering 1.3–2.6 μm; the footprint of each spectrum was ∼160 m × width of the nucleus. Borrelly's highly variegated and extremely dark 8-km-long nucleus exhibits a strong red slope in its short-wavelength infrared reflection spectrum. This slope is equivalent to J–K and H–K colors of ∼0.82 and ∼0.43, respectively. Between 2.3–2.6 μm thermal emission is clearly detectable in most of the spectra. These data show the nucleus surface to be hot and dry; no trace of H2O ice was detected. The surface temperature ranged continuously across the nucleus from ⩽300 K near the terminator to a maximum of ∼340 K, the expected sub-solar equilibrium temperature for a slowly rotating body. A single absorption band at ∼2.39 μm is quite evident in all of the spectra and resembles features seen in nitrogen-bearing organic molecules that are reasonable candidates for compositional components of cometary nuclei. However as of yet the source of this band is unknown.

Crystallographically Anisotropic Shape of Forsterite: New Probe for Evaluating Dust Formation History from Infrared Spectroscopy

NASA Astrophysics Data System (ADS)

Takigawa, Aki; Tachibana, Shogo

2012-05-01

Crystalline dust has been observed by infrared spectroscopy around dust-enshrouded asymptotic giant branch stars, in protoplanetary disks, and from some comets. Crystalline materials often have a specific shape related to a specific crystallographic orientation (crystallographically anisotropic shape), which reflects the anisotropic nature of crystals, and their infrared spectral features depend on crystallographically anisotropic shapes. The crystallographically anisotropic shape is thus a potentially powerful probe to evaluate circumstellar dust-forming conditions quantitatively. In order to assess the possibility to determine the crystallographically anisotropic shape from infrared spectra, we calculated mass absorption coefficients for ellipsoidal forsterite particles, the most abundant circumstellar crystalline silicate, elongated and flattened along the crystallographic a-, b-, and c-axes with various aspect ratios in the wavelength range of 9-70 μm. It was found that differences in infrared features caused by various crystallographicaly anisotropic shapes are distinguishable from each other irrespective of the effects of temperature, size, chemical composition, and grain edges of forsterite in the range of 9-12 μm and 15-20 μm. We thus concluded that the crystallographically anisotropic shape of forsterite can be deduced from peak features in infrared spectra. We also showed that the crystallographically anisotropic shapes formed by evaporation and condensation of forsterite can be distinguished from each other and the temperature condition for evaporation can be evaluated from the peak features. We applied the present results to the infrared spectrum of a protoplanetary disk HD100546 and found that a certain fraction (~25%) of forsterite dust may have experienced high-temperature evaporation (>1600 K).

Comparison of in situ measurements of forest decline symptoms in Vermont (USA) and the Schwarzwald (FRG)

NASA Technical Reports Server (NTRS)

Rock, B. N.; Hoshizaki, T.; Lichtenthaler, H.; Schmuck, G.

1986-01-01

Field analyses were conducted at spruce/fir sites in the U.S. and Germany undergoing forest decline. Data gathered from common branch samples included reflectance curves, fluorescence measurements, and pigment concentrations. Similar reflectance signatures are seen for specimens from all sites. Reflectance spectra from specimens collected from high damage sites in both countries show a characteristic reflectance drop in the near infrared and a shift (5 nm) of the red edge to shorter wavelengths. Fluorescence data suggest altered state of health of photosynthetic pigments only in specimens from German high damage sites, and pigment extraction and analysis indicate a reduction in total chlorophyll, a decrease in chlorophyll b when compared with chlorophyll a, and a relative increase in carotenoids.

Effects of heavy metals on the absorbance and reflectance spectra of plants

NASA Technical Reports Server (NTRS)

Horler, D. N. H.; Barber, J.; Barringer, A. R.

1980-01-01

The spectral responses of plants to various concentrations of heavy metals in their rooting media are investigated in relation to the application of remote sensing methods to the detection of vegetation under stress. Absorption photometry of chloroplasts, measurements of metal and chlorophyll concentrations and reflectance spectrometry were performed on leaves of pea, sunflower and soybean plants grown under greenhouse conditions with the addition of various concentrations of Cd, Cu, Pb and Zn to their rooting media and on leaves of oak trees growing naturally in an area of a copper-arsenic mineralization. Under laboratory conditions, the most general effect observed was growth inhibition and ultimately death, with pea plants also exhibiting changes of chlorophyll a/ chlorophyll b ratios with Cd and Cu and reflectance increases in the visible and decreases in the infrared. Although results for other species indicate that reflectance effects are dependent on species, correlations between reflectance and metal exposure is confirmed by the field investigations. It is concluded that a remote sensing system would be improved by the inclusion of bands around 1.65 and 2.20 microns to detect soil mineralization from plant spectra.

Optical (diffuse reflectance) and Mossbauer spectroscopic study of nontronite and related Fe-bearing smectites

USGS Publications Warehouse

Sherman, David M.; Vergo, N.

1988-01-01

Near-ultraviolet to near-infrared optical (diffuse reflectance) spectra of several nontronites and related Fe-bearing smectites [(Fe2+,Fe3+)-bearing saponite and (Fe2+,Fe3+)-bearing montmorillonite] are presented and interpreted. Mossbauer spectra at 298 K are also presented to help interpret the optical spectra. The optical spectra of nontronites are dominated by the ligand field transitions of Fe3+ in octahedral coordination sites. In addition to the ligand field transitions of single Fe3+ cations, a broad absorption band centered near 22000 cm-1 is observed that may be due to the simultaneous excitation of two Fe3+ cations to the 4T1g (4G) state. Alternatively, this band may represent excitations to the 2A2g and 2T1g ligand field states. For most samples, the amount of tetrahedrally coordinated Fe3+ was below that detectable by Mossbauer spectroscopy (1-3% of total Fe). However, the optical spectra of all of the nontronites show an absorption band near 23000 cm-1. This band is assigned to the 6A1 ??? 4E,4A1 transition of tetrahedrally coordinated Fe3+. The optical spectra of mixed-valence Fe-bearing smectites show a broad absorption band at 14000-15000 cm-1 owing to Fe2+ ??? Fe3+ charge transfer. -from Authors

0.7-2.5 μm Spectra of Hilda Asteroids

NASA Astrophysics Data System (ADS)

Wong, Ian; Brown, Michael E.; Emery, Joshua P.

2017-09-01

The Hilda asteroids are primitive bodies in resonance with Jupiter whose origin and physical properties are not well understood. Current models posit that these asteroids formed in the outer solar system and were scattered along with the Jupiter Trojans into their present-day positions during a chaotic episode of dynamical restructuring. In order to explore the surface composition of these enigmatic objects in comparison with an analogous study of Trojans, we present new near-infrared spectra (0.7-2.5 μm) of 25 Hilda asteroids. No discernible absorption features are apparent in the data. Synthesizing the bimodalities in optical color and infrared reflectivity reported in previous studies, we classify 26 of the 28 Hildas in our spectral sample into the so-called less-red and red sub-populations and find that the two sub-populations have distinct average spectral shapes. Combining our results with visible spectra, we find that Trojans and Hildas possess similar overall spectral shapes, suggesting that the two minor body populations share a common progenitor population. A more detailed examination reveals that while the red Trojans and Hildas have nearly identical spectra, less-red Hildas are systematically bluer in the visible and redder in the near-infrared than less-red Trojans, indicating a putative broad, shallow absorption feature between 0.5 and 1.0 μm. We argue that the less-red and red objects found in both Hildas and Trojans represent two distinct surface chemistries and attribute the small discrepancy between less-red Hildas and Trojans to the difference in surface temperatures between the two regions.

0.7–2.5 μ m Spectra of Hilda Asteroids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wong, Ian; Brown, Michael E.; Emery, Joshua P., E-mail: iwong@caltech.edu

The Hilda asteroids are primitive bodies in resonance with Jupiter whose origin and physical properties are not well understood. Current models posit that these asteroids formed in the outer solar system and were scattered along with the Jupiter Trojans into their present-day positions during a chaotic episode of dynamical restructuring. In order to explore the surface composition of these enigmatic objects in comparison with an analogous study of Trojans, we present new near-infrared spectra (0.7–2.5 μ m) of 25 Hilda asteroids. No discernible absorption features are apparent in the data. Synthesizing the bimodalities in optical color and infrared reflectivity reportedmore » in previous studies, we classify 26 of the 28 Hildas in our spectral sample into the so-called less-red and red sub-populations and find that the two sub-populations have distinct average spectral shapes. Combining our results with visible spectra, we find that Trojans and Hildas possess similar overall spectral shapes, suggesting that the two minor body populations share a common progenitor population. A more detailed examination reveals that while the red Trojans and Hildas have nearly identical spectra, less-red Hildas are systematically bluer in the visible and redder in the near-infrared than less-red Trojans, indicating a putative broad, shallow absorption feature between 0.5 and 1.0  μ m. We argue that the less-red and red objects found in both Hildas and Trojans represent two distinct surface chemistries and attribute the small discrepancy between less-red Hildas and Trojans to the difference in surface temperatures between the two regions.« less

The utility of polarization modulation infrared reflection absorption spectroscopy (PM-IRRAS) in surface and in situ studies: new data processing and presentation approach.

PubMed

Monyoncho, Evans A; Zamlynny, Vlad; Woo, Tom K; Baranova, Elena A

2018-05-29

Infrared spectroscopy is a powerful non-destructive technique for the identification and quantification of organic molecules widely used in scientific studies. For many years, efforts have been made to adopt this technique for the in situ monitoring of reactions. From these efforts, polarization modulation infrared reflection absorption spectroscopy (PM-IRRAS) was developed three decades ago. Unfortunately, because of the complexity of data processing and interpretation, PM-IRRAS had been avoided in lieu of the single potential alteration infrared spectroscopy (SPAIRS) and subtractively normalized interfacial Fourier transform infrared (SNIFTIR). In this work, we present a new approach for PM-IRRAS data processing and presentation, which provides more insight into in situ and surface studies besides dramatically improving the S/N. In this new approach, we recommend three complementary methods of data treatment (eqn (7), (9) and (10)) as the new protocols for presenting PM-IRRAS data. These equations are robust in visualising the surface processes at the solid-liquid and solid-gas interphases. Eqn (7) contrasts the surface adsorbed species with respect to the isotropic background with or without the influence of the applied potential. Eqn (9) highlights the surface potential-driven changes between the sample and the reference spectra. Eqn (10) focuses on the bulk-phase (solution/gas and surface species) potential-driven changes between the sample and the reference spectra, and hence it can be used to track the production of species, which desorb from the surface upon their formation. Examples of ethanol electro-oxidation reaction are provided as a test system for in situ studies and PVP deposited on glassy carbon for thin-film studies to illustrate the utility of the new PM-IRRAS data handling protocol, which is poised to improve the understanding of the chemistry and physics of surface processes.

Study of crystal-field excitations and infrared active phonons in TbMnO3

NASA Astrophysics Data System (ADS)

Mansouri, S.; Jandl, S.; Balli, M.; Fournier, P.; Mukhin, A. A.; Ivanov, V. Yu; Balbashov, A.; Orlita, M.

2018-05-01

The Tb3+ (4f 8) crystal-field (CF) excitations and the infrared phonons in TbMnO3 are studied as a function of temperature and under an applied magnetic field. The phonon energy shifts reflect local displacement of the oxygen ions that contribute to the CF energy level shifts below 120 K and under magnetic field. The CF polarized transmission spectra provide interesting information about the debated nature of the excitations at 41, 65, 130 cm‑1. We also evaluate the contribution of the charge transfer mechanism to the magnetoelectric process in TbMnO3 under magnetic field.

Laboratory Thermal Infrared and Visible to Near-Infrared Spectral Analysis of Chert

NASA Astrophysics Data System (ADS)

McDowell, M. L.; Hamilton, V. E.

2007-12-01

Though basaltic materials dominate the composition of the Martian surface, a material with a relatively high silica component in an area of Eos Chasma was reported by [1] from thermal infrared (TIR) data. The spectrum of the silica phase resembles quartz or chert, but with the existing information it is difficult to tell which phase best fits the observations. Though quartz, chert, and amorphous silica are chemically identical (SiO2), their physical differences (e.g., microstructures) result in different TIR spectral characteristics. Previous studies have analyzed a limited number of chert samples using emission infrared spectroscopy [2] and transmission infrared spectroscopy [3]. We continue these preliminary studies with an investigation aiming to more completely understand and document the variation in spectral character of cherts. This knowledge may help to identify the silica phase in Eos Chasma and any future discoveries. Our study includes a more extensive sampling of geologic chert in hand sample (>15 samples) with various sources, methods of formation, surface textures, and crystallinities. We analyzed their visible to near-infrared (VNIR) reflectance spectra, as well as spectral features in TIR emission spectra. We measured multiple locations on each sample to determine spectral homogeneity across the sample and between various orientations. Where possible, natural, cut, and recently fractured surfaces were measured. We compared the collected TIR spectra for similarities and differences in shape and spectral contrast within each sample and between samples that may relate to variations in the samples' structure (e.g. crystallinity, and surface texture). VNIR measurements show features indicative of non-silica phases and water that may be present in the cherts. [1] Hamilton, V.E. (2005) Eos Trans. AGU, Fall Meeting Suppl., Abstract P24A-08. [2] Michalski, J.R. (2005) PhD Diss., ASU, Tempe. [3] Long, D. G. et al. (2001) Canadian Archaeological Assoc., 33rd Meeting.

Compositional and textural information from the dual inversion of visible, near and thermal infrared remotely sensed data

NASA Technical Reports Server (NTRS)

Brackett, Robert A.; Arvidson, Raymond E.

1993-01-01

A technique is presented that allows extraction of compositional and textural information from visible, near and thermal infrared remotely sensed data. Using a library of both emissivity and reflectance spectra, endmember abundances and endmember thermal inertias are extracted from AVIRIS (Airborne Visible and Infrared Imaging Spectrometer) and TIMS (Thermal Infrared Mapping Spectrometer) data over Lunar Crater Volcanic Field, Nevada, using a dual inversion. The inversion technique is motivated by upcoming Mars Observer data and the need for separation of composition and texture parameters from sub pixel mixtures of bedrock and dust. The model employed offers the opportunity to extract compositional and textural information for a variety of endmembers within a given pixel. Geologic inferences concerning grain size, abundance, and source of endmembers can be made directly from the inverted data. These parameters are of direct relevance to Mars exploration, both for Mars Observer and for follow-on missions.

Organics and other molecules in the surfaces of Callisto and Ganymede

USGS Publications Warehouse

McCord, T.B.; Carlson, R.W.; Smythe, W.D.; Hansen, G.B.; Clark, R.N.; Hibbitts, C.A.; Fanale, F.P.; Granahan, J.C.; Segura, M.; Matson, D.L.; Johnson, T.V.; Martin, P.D.

1997-01-01

Five absorption features are reported at wavelengths of 3.4, 3.88, 4.05, 4.25, and 4.57 micrometers in the surface materials of the Galilean satellites Callisto and Ganymede from analysis of reflectance spectra returned by the Galileo mission near-infrared mapping spectrometer. Candidate materials include CO2, organic materials (such as tholins containing C???N and C-H), SO2, and compounds containing an SH-functional group; CO2, SO2, and perhaps cyanogen [(CN)2] may be present within the surface material itself as collections of a few molecules each. The spectra indicate that the primary surface constituents are water ice and hydrated minerals.

Development of techniques for advanced optical contamination measurement with internal reflection spectroscopy, phase 1, volume 1

NASA Technical Reports Server (NTRS)

Hayes, J. D.

1972-01-01

The feasibility of monitoring volatile contaminants in a large space simulation chamber using techniques of internal reflection spectroscopy was demonstrated analytically and experimentally. The infrared spectral region was selected as the operational spectral range in order to provide unique identification of the contaminants along with sufficient sensitivity to detect trace contaminant concentrations. It was determined theoretically that a monolayer of the contaminants could be detected and identified using optimized experimental procedures. This ability was verified experimentally. Procedures were developed to correct the attenuated total reflectance spectra for thick sample distortion. However, by using two different element designs the need for such correction can be avoided.

Predicting ambient aerosol Thermal Optical Reflectance (TOR) measurements from infrared spectra: organic carbon

NASA Astrophysics Data System (ADS)

Dillner, A. M.; Takahama, S.

2014-11-01

Organic carbon (OC) can constitute 50% or more of the mass of atmospheric particulate matter. Typically, the organic carbon concentration is measured using thermal methods such as Thermal-Optical Reflectance (TOR) from quartz fiber filters. Here, methods are presented whereby Fourier Transform Infrared (FT-IR) absorbance spectra from polytetrafluoroethylene (PTFE or Teflon) filters are used to accurately predict TOR OC. Transmittance FT-IR analysis is rapid, inexpensive, and non-destructive to the PTFE filters. To develop and test the method, FT-IR absorbance spectra are obtained from 794 samples from seven Interagency Monitoring of PROtected Visual Environment (IMPROVE) sites sampled during 2011. Partial least squares regression is used to calibrate sample FT-IR absorbance spectra to artifact-corrected TOR OC. The FTIR spectra are divided into calibration and test sets by sampling site and date which leads to precise and accurate OC predictions by FT-IR as indicated by high coefficient of determination (R2; 0.96), low bias (0.02 μg m-3, all μg m-3 values based on the nominal IMPROVE sample volume of 32.8 m-3), low error (0.08 μg m-3) and low normalized error (11%). These performance metrics can be achieved with various degrees of spectral pretreatment (e.g., including or excluding substrate contributions to the absorbances) and are comparable in precision and accuracy to collocated TOR measurements. FT-IR spectra are also divided into calibration and test sets by OC mass and by OM / OC which reflects the organic composition of the particulate matter and is obtained from organic functional group composition; this division also leads to precise and accurate OC predictions. Low OC concentrations have higher bias and normalized error due to TOR analytical errors and artifact correction errors, not due to the range of OC mass of the samples in the calibration set. However, samples with low OC mass can be used to predict samples with high OC mass indicating that the calibration is linear. Using samples in the calibration set that have a different OM / OC or ammonium / OC distributions than the test set leads to only a modest increase in bias and normalized error in the predicted samples. We conclude that FT-IR analysis with partial least squares regression is a robust method for accurately predicting TOR OC in IMPROVE network samples; providing complementary information to the organic functional group composition and organic aerosol mass estimated previously from the same set of sample spectra (Ruthenburg et al., 2014).

Adsorption of 1- and 2-butylimidazoles at the copper/air and steel/air interfaces studied by sum frequency generation vibrational spectroscopy.

PubMed

Casford, Michael T L; Davies, Paul B

2012-07-24

The structure of thin films of 1- and 2-butylimidazoles adsorbed on copper and steel surfaces under air was examined using sum frequency generation (SFG) vibrational spectroscopy in the ppp and ssp polarizations. Additionally, the SFG spectra of both isomers were recorded at 55 °C at the liquid imidazole/air interface for reference. Complementary bulk infrared, reflection-absorption infrared spectroscopy (RAIRS), and Raman spectra of both imidazoles were recorded for assignment purposes. The SFG spectra in the C-H stretching region at the liquid/air interface are dominated by resonances from the methyl end group of the butyl side chain of the imidazoles, indicating that they are aligned parallel or closely parallel to the surface normal. These are also the most prominent features in the SFG spectra on copper and steel. In addition, both the ppp and ssp spectra on copper show resonances from the C-H stretching modes of the imidazole ring for both isomers. The ring C-H resonances are completely absent from the spectra on steel and at the liquid/air interface. The relative intensities of the SFG spectra can be interpreted as showing that, on copper, under air, both butylimidazoles are adsorbed with their butyl side chains perpendicular to the interface and with the ring significantly inclined away from the surface plane and toward the surface normal. The SFG spectra of both imidazoles on steel indicate an orientation where the imidazole rings are parallel or nearly parallel to the surface. The weak C-H resonances from the ring at the liquid/air interface suggest that the tilt angle of the ring from the surface normal at this interface is significantly greater than it is on copper.

Synthesis of Cu/CuO nanoparticles in mesoporous material by solid state reaction

NASA Astrophysics Data System (ADS)

Sohrabnezhad, Sh.; Valipour, A.

2013-10-01

The Mobil Composition of Matter No. 41 (MCM-41) containing 1.0 and 5.0 wt.% of Cu was synthesized under solid state reaction. The calcinations of samples were done at two different temperatures, 500 and 300 °C. X-ray diffraction (XRD), UV-Vis diffuse reflectance spectroscopy (UV-Vis DRS), Fourier transform infrared spectroscopy (FTIR) and transmission electron microscopy (TEM) were used for samples characterization. Powder X-ray diffraction showed that when Cu(CH3COO)2 content is about 1.0 wt.% in Cu/MCM-41, the guest CuO-NPs and copper ions is formed on the silica channel wall, and more exists in the crystalline state. When Cu(CH3COO)2 content exceeds this value (5.0 wt.%), CuO nanoparticles and Cu2+ ions can be observed in low crystalline state. From the diffuse reflectance spectra it was confirmed that 5 wt.% Cu/MCM-41 sample calcined at 500 °C show plasmon resonance band due to Cu nanoparticles in the range between 500 and 600 nm and small copper clusters Cun in 450 nm. It also shows that some of the Cu2+ ions are present octahedrally in extraframework position in all samples. Both fourier transform infrared and diffuse reflectance spectra indicate that some of Cu2+ ions are tetrahedrally within the framework position in 1 wt.% Cu/MCM-41 samples. TEM images indicated that nanoparticles size of CuO is in range of 30-40 nm.

Total reflection infrared spectroscopy of water-ice and frozen aqueous NaCl solutions.

PubMed

Walker, Rachel L; Searles, Keith; Willard, Jesse A; Michelsen, Rebecca R H

2013-12-28

Liquid-like and liquid water at and near the surface of water-ice and frozen aqueous sodium chloride films were observed using attenuated total reflection infrared spectroscopy (ATR-IR). The concentration of NaCl ranged from 0.0001 to 0.01 M and the temperature varied from the melting point of water down to 256 K. The amount of liquid brine at the interface of the frozen films with the germanium ATR crystal increased with salt concentration and temperature. Experimental spectra are compared to reflection spectra calculated for a simplified morphology of a uniform liquid layer between the germanium crystal and the frozen film. This morphology allows for the amount of liquid observed in an experimental spectrum to be converted to the thickness of a homogenous layer with an equivalent amount of liquid. These equivalent thickness ranges from a nanometer for water-ice at 260 K to 170 nm for 0.01 M NaCl close to the melting point. The amounts of brine observed are over an order of magnitude less than the total liquid predicted by equilibrium thermodynamic models, implying that the vast majority of the liquid fraction of frozen solutions may be found in internal inclusions, grain boundaries, and the like. Thus, the amount of liquid and the solutes dissolved in them that are available to react with atmospheric gases on the surfaces of snow and ice are not well described by thermodynamic equilibrium models which assume the liquid phase is located entirely at the surface.

3-(Triethoxysilyl)propionitrile sol-gel coating.

PubMed

Li, Ying-Sing; Xiao, Yun; Wright, Paul B; Tran, Tuan

2005-05-01

3-(Triethoxysilyl)propionitrile (TESPN) sol-gel has been prepared under different conditions. It was employed for coating the surfaces of quartz and aluminum. Infrared (IR) and Raman spectra of TESPN and TESPN sol-gels have been recorded in the study of the sol-gel process. Transmission and reflection absorption IR (RAIR) spectra of TESPN sol-gel coated quartz and aluminum have also been collected for better understanding the film formation on the substrate surfaces. Spectra collected at different temperatures indicated that the silane film on quartz decomposes at 700 degrees C. Results from thermal gravimetric analysis (TGA) supported this result. Based on the group frequencies and the spectral behavior in different states, some vibrational modes were assigned to the observed bands. The anticorrosion behavior of the sol-gel coated aluminum in comparison with the uncoated metal was evaluated by measuring the potentiodynamic polarization and electrochemical impedance spectra (EIS).

IDEOS: Fitting Infrared Spectra from Dusty Galaxies

NASA Astrophysics Data System (ADS)

Viola, Vincent; Rupke, D.

2014-01-01

We fit models to heavily obscured infrared spectra taken by the Spitzer Space Telescope and prepare them for cataloguing in the Infrared Database of Extragalactic Observables from Spitzer (IDEOS). When completed, IDEOS will contain homogeneously measured mid-infrared spectroscopic observables of more than 4200 galaxies beyond the Local Group. The software we use, QUESTFit, models the spectra using up to three extincted blackbodies (including silicate, water ice, and hydrocarbon absorption) and PAH templates. We present results from a sample of the approximately 200 heavily obscured spectra that will be present in IDEOS.

Detection of Spatially Unresolved (Nominally Sub-Pixel) Submerged and Surface Targets Using Hyperspectral Data

DTIC Science & Technology

2012-09-01

Feasibility (MT Modeling ) a. Continuum of mixture distributions interpolated b. Mixture infeasibilities calculated for each pixel c. Valid detections...Visible/Infrared Imaging Spectrometer BRDF Bidirectional Reflectance Distribution Function CASI Compact Airborne Spectrographic Imager CCD...filtering (MTMF), and was designed by Healey and Slater (1999) to use “a physical model to generate the set of sensor spectra for a target that will be

Climate Change Observation Accuracy: Requirements and Economic Value

NASA Technical Reports Server (NTRS)

Wielicki, Bruce; Cooke, Roger; Golub, Alexander; Baize, Rosemary; Mlynczak, Martin; Lukashin, Constantin; Thome, Kurt; Shea, Yolanda; Kopp, Greg; Pilewskie, Peter;

Optical mechanisms for detection of lipid-rich atherosclerotic plaques by near-infrared spectroscopy

NASA Astrophysics Data System (ADS)

Hull, Edward L.; Gardner, Craig M.; Muller, James E.; Muller, Vianna J.; Salvato, Christopher V.; Lisauskas, Jennifer B.; Caplan, Jay D.

2008-02-01

InfraReDx has developed a spectroscopic cardiac catheter system capable of acquiring near-infrared (NIR) reflectance spectra from coronary arteries in vivo for identification of lipid-rich plaques of interest (LRP). The spectral data are analyzed with a chemometric model, producing a hyperspectral image (a chemogram) used to identify LRP in the interrogated region. In this paper, we describe a FT-IR microscopy system for measurement of the NIR scattering and absorption properties of healthy and diseased regions of human coronary arteries in small volumes (~10 μl). Scattering and absorption coefficients are obtained from sequential 140 um x 140 um regions of interest across the face of 500-micron thick, saline-irrigated fresh coronary artery sections. A customized FTIR microscope, measurement protocol, and inversion algorithm are used for optical property determination, and the system is calibrated using measurements of tissue-simulating phantoms having well-characterized optical properties. Tissue optical properties are co-registered with brightfield transmission images as well as with stained histologic thin sections (H&E, Movat Pentachrome, and Oil Red O) acquired from an immediately-adjacent section. The ultimate goal of these experiments is to establish a mechanistic link between the multivariate model predictions displayed on the InfraReDx chemogram and the light-tissue interactions that govern the measured NIR reflectance spectra.

Electrochemical and PM-IRRAS Studies of the Effect of Cholesterol on the Structure of a DMPC Bilayer Supported at an Au (111) Electrode Surface, Part 1: Properties of the Acyl Chains

PubMed Central

Bin, Xiaomin; Horswell, Sarah L.; Lipkowski, Jacek

2005-01-01

Charge density measurements and polarization modulation infrared reflection absorption spectroscopy were employed to investigate the spreading of small unilamellar vesicles of a dimyristoylphosphatidylcholine (DMPC)/cholesterol (7:3 molar ratio) mixture onto an Au (111) electrode surface. The electrochemical experiments demonstrated that vesicles fuse and spread onto the Au (111) electrode surface, forming a bilayer, at rational potentials −0.4 V < (E − Epzc) < 0.4 V or field strength <6×107 V m−1. Polarization modulation infrared reflection absorption spectroscopy experiments provided information concerning the conformation and orientation of the acyl chains of DMPC molecules. Deuterated DMPC was used to subtract the contribution of C-H stretching bands of cholesterol and of the polar head region of DMPC from spectra in the C-H stretching region. The absorption spectra of the C-H stretch bands in the acyl chains were determined in this way. The properties of the DMPC/cholesterol bilayer have been compared with the properties of a pure DMPC bilayer. The presence of 30% cholesterol gives a thicker and more fluid bilayer characterized by a lower capacity and lower tilt angle of the acyl chains. PMID:15849259

Development of an ultra-compact mid-infrared attenuated total reflectance spectrophotometer

NASA Astrophysics Data System (ADS)

Kim, Dong Soo; Lee, Tae-Ro; Yoon, Gilwon

2014-07-01

Mid-infrared spectroscopy has been an important tool widely used for qualitative analysis in various fields. However, portable or personal use is size and cost prohibitive for either Fourier transform infrared or attenuated total reflectance (ATR) spectrophotometers. In this study, we developed an ultra-compact ATR spectrophotometer whose frequency band was 5.5-11.0 μm. We used miniature components, such as a light source fabricated by semiconductor technology, a linear variable filter, and a pyro-electric array detector. There were no moving parts. Optimal design based on two light sources, a zippered configuration of the array detector and ATR optics could produce absorption spectra that might be used for qualitative analysis. A microprocessor synchronized the pulsed light sources and detector, and all the signals were processed digitally. The size was 13.5×8.5×3.5 cm3 and the weight was 300 grams. Due to its low cost, our spectrophotometer can replace many online monitoring devices. Another application could be for a u-healthcare system installed in the bathroom or attached to a smartphone for monitoring substances in body fluids.

Quantitative broadband absorption and scattering spectroscopy in turbid media by combined frequency-domain and steady state methodologies

DOEpatents

Tromberg, Bruce J [Irvine, CA; Berger, Andrew J [Rochester, NY; Cerussi, Albert E [Lake Forest, CA; Bevilacqua, Frederic [Costa Mesa, CA; Jakubowski, Dorota [Irvine, CA

2008-09-23

A technique for measuring broadband near-infrared absorption spectra of turbid media that uses a combination of frequency-domain and steady-state reflectance methods. Most of the wavelength coverage is provided by a white-light steady-state measurement, whereas the frequency-domain data are acquired at a few selected wavelengths. Coefficients of absorption and reduced scattering derived from the frequency-domain data are used to calibrate the intensity of the steady-state measurements and to determine the reduced scattering coefficient at all wavelengths in the spectral window of interest. The absorption coefficient spectrum is determined by comparing the steady-state reflectance values with the predictions of diffusion theory, wavelength by wavelength. Absorption spectra of a turbid phantom and of human breast tissue in vivo, derived with the combined frequency-domain and steady-state technique, agree well with expected reference values.

Analyses of IR-Stealthy and Coated Surface Materials: A Comparison of LIBS and Reflectance Spectra and Their Application to Mars Surface Exploration

NASA Technical Reports Server (NTRS)

Wiens, R. C.; Kirkland, L. E.; McKay, C. P.; Cremers, D. A.; Thompson, J.; Maurice, S.; Pinet, P. C.

2004-01-01

Identification of non-silicate samples on Mars, such as carbonates, sulfates, nitrates, or evaporites in general, is important because of their association with aqueous processes and their potential as exobiology sites. Infrared (IR) and thermal emission (TE) spectroscopy have been considered the primary tools for remote identification of these minerals. This includes current and future orbital assets such as TES on MGS, THEMIS on Mars Odyssey, OMEGA on Mars Express, CRISM on MRO, and now the Mini-TES on the MER rovers. While reflectance and emission spectroscopy have clearly been the method of choice for these missions, the technique is not always successful in mineral identifications due to dust, surface weathering chemistry, coatings, or surface texture. Here we describe and show IR spectra of several such samples, and then report on the relative success of LIBS analyses in determining the rock type.

Mojave remote sensing field experiment

NASA Technical Reports Server (NTRS)

Arvidson, Raymond E.; Petroy, S. B.; Plaut, J. J.; Shepard, Michael K.; Evans, D.; Farr, T.; Greeley, Ronald; Gaddis, L.; Lancaster, N.

1991-01-01

The Mojave Remote Sensing Field Experiment (MFE), conducted in June 1988, involved acquisition of Thermal Infrared Multispectral Scanner (TIMS); C, L, and P-band polarimetric radar (AIRSAR) data; and simultaneous field observations at the Pisgah and Cima volcanic fields, and Lavic and Silver Lake Playas, Mojave Desert, California. A LANDSAT Thematic Mapper (TM) scene is also included in the MFE archive. TM-based reflectance and TIMS-based emissivity surface spectra were extracted for selected surfaces. Radiative transfer procedures were used to model the atmosphere and surface simultaneously, with the constraint that the spectra must be consistent with field-based spectral observations. AIRSAR data were calibrated to backscatter cross sections using corner reflectors deployed at target sites. Analyses of MFE data focus on extraction of reflectance, emissivity, and cross section for lava flows of various ages and degradation states. Results have relevance for the evolution of volcanic plains on Venus and Mars.

Potential and limitation of mid-infrared attenuated total reflectance spectroscopy for real time analysis of raw milk in milking lines.

PubMed

Linker, Raphael; Etzion, Yael

2009-02-01

Real-time information about milk composition would be very useful for managing the milking process. Mid-infrared spectroscopy, which relies on fundamental modes of molecular vibrations, is routinely used for off-line analysis of milk and the purpose of the present study was to investigate the potential of attenuated total reflectance mid-infrared spectroscopy for real-time analysis of milk in milking lines. The study was conducted with 189 samples from over 70 cows that were collected during an 18 months period. Principal component analysis, wavelets and neural networks were used to develop various models for predicting protein and fat concentration. Although reasonable protein models were obtained for some seasonal sub-datasets (determination errors

Reflectance Hyperspectral Imaging for Investigation of Works of Art: Old Master Paintings and Illuminated Manuscripts.

PubMed

Cucci, Costanza; Delaney, John K; Picollo, Marcello

2016-10-18

Diffuse reflectance hyperspectral imaging, or reflectance imaging spectroscopy, is a sophisticated technique that enables the capture of hundreds of images in contiguous narrow spectral bands (bandwidth < 10 nm), typically in the visible (Vis, 400-750 nm) and the near-infrared (NIR, 750-2500 nm) regions. This sequence of images provides a data set that is called an image-cube or file-cube. Two dimensions of the image-cube are the spatial dimensions of the scene, and the third dimension is the wavelength. In this way, each spatial pixel in the image has an associated reflectance spectrum. This "big data" image-cube allows for the mining of artists' materials and mapping their distribution across the surface of a work of art. Reflectance hyperspectral imaging, introduced in the 1980s by Goetz and co-workers, led to a revolution in the field of remote sensing of the earth and near planets ( Goetz, F. H.; Vane, G.; Solomon, B. N.; Rock, N. Imaging Spectrometry for Earth Remote Sensing . Science , 1985 , 228 , 1147 - 1152 ). In the subsequent decades, thanks to rapid advances in solid-state sensor technology, reflectance hyperspectral imaging, once only available to large government laboratories, was extended to new fields of application, such as monitoring agri-foods, pharmaceutical products, the environment, and cultural heritage. In the 2000s, the potential of this noninvasive technology for the study of artworks became evident and, consequently, the methodology is becoming more widely used in the art conservation science field. Typically hyperspectral reflectance image-cubes contain millions of spectra. Many of these spectra are similar, making the reduction of the data set size an important first step. Thus, image-processing tools based on multivariate techniques, such as principal component analysis (PCA), automated classification methods, or expert knowledge systems, that search for known spectral features are often applied. These algorithms seek to reduce the large number of high-quality spectra to a common subset, which allow identifying and mapping artists' materials and alteration products. Hence, reflectance hyperspectral imaging is finding its place as the starting point to find sites on polychrome surfaces for spot analytical techniques, such as X-ray fluorescence, Raman spectroscopy, and Fourier transform infrared spectroscopy. Reflectance hyperspectral imaging can also provide image products that are a mainstay in the art conservation field, such as color-accurate images, broadband near-infrared images, and false-color products. This Account reports on the research activity carried out by two research groups, one at the "Nello Carrara" Institute of Applied Physics of the Italian National Research Council (IFAC-CNR) in Florence and the other at the National Gallery of Art (NGA) in Washington, D.C. Both groups have conducted parallel research, with frequent interchanges, to develop multispectral and hyperspectral imaging systems to study works of art. In the past decade, they have designed and experimented with some of the earliest spectral imaging prototypes for museum applications. In this Account, a brief presentation of the hyperspectral sensor systems is given with case studies showing how reflectance hyperspectral imaging is answering key questions in cultural heritage.

THE UV/BLUE EFFECTS OF SPACE WEATHERING MANIFESTED IN S-COMPLEX ASTEROIDS. I. QUANTIFYING CHANGE WITH ASTEROID AGE

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vilas, Faith; Hendrix, Amanda R., E-mail: fvilas@psi.edu

Evidence for the manifestation of space weathering in S-complex asteroids as a bluing of the UV/blue reflectance spectrum is extended using high resolution CCD reflectance spectra of 21 main-belt, 1 Mars-crossing, and 3 near-Earth asteroids covering a wavelength range of 320–620 nm. Demonstration of the transition of iron-bearing materials from volume scattering to surface (Fresnel) scattering is apparent as an abrupt downturn at wavelengths just short of 400 nm in reflectance spectra of fresh asteroid surfaces. The weathering away of this downturn is demonstrated by its absence in reflectance spectra of mature S-complex asteroids, consistent with an increase in npFe{supmore » 0} on the material's surface. Modeling of the effects of the addition of small amounts of npFe{sup 0} to particles from both a hypothetical mineral and a terrestrial basalt shows that evidence of the addition of 0.0001% npFe{sup 0} affects the reflectance at UV/blue wavelengths, while the addition of 0.01% is required to see the visible/near-infrared reddening and diminution of absorption features. Thus, the UV/blue reflectance characteristics allow earlier detection of the onset of space weathering effects. Combining UV/blue spectral characteristics of asteroids and ordinary chondrite meteorites with estimated ages of the young Datura family, we establish a method of dating asteroid surface ages during the early stages of space weathering. We demonstrate by dating the surface of NEA 163249 2002 GT to be 109 (±18) to 128 (±10) Kyr.« less

Mineralogical, Spectral, and Compositional Changes During Heating of Hydrous Carbonaceous Chondrites

NASA Technical Reports Server (NTRS)

Nakamura, T.; Matsuoka, M.; Yamashita, S.; Sato, Y.; Mogi, K.; Enokido, Y.; Nakata, A.; Okumura, S.; Furukawa, Y.; Zolensky, M.

2017-01-01

Hydrous carbonaceous chondrites experienced hydration and subsequent dehydration by heating, which resulted in a variety of mineralogical and spectral features [e. g., 1-6]. The degree of heating is classified according to heating stage (HS) II to IV based on mineralogy of phyllosilicates [2], because they change, with elevating temperature, to poorly crystal-line phases and subsequently to aggregates of small secondary anhydrous silicates of mainly olivine. Heating of hydrous carbonaceous chondrites also causes spectral changes and volatile loss [3-6]. Experimental heating of Murchison CM chondrite showed flattening of whole visible-near infrared spectra, especially weakening of the 3µm band strength [1, 4, 7]. In order to understand mineralogical, spectral, and compositional changes during heating of hydrous carbonaceous chondrites, we have carried out systematic investigation of mineralogy, reflectance spectra, and volatile composition of hydrated and dehydrated carbonaceous chondrites as well as experimentally-heated hydrous carbonaceous chondrites. In addition, we investigated reflectance spectra of tochilinite that is a major phase of CM chondrites and has a low dehydration temperature (250degC).

Time-resolved visible/near-infrared spectrometric observations of the Galaxy 11 geostationary satellite

NASA Astrophysics Data System (ADS)

Bédard, Donald; Wade, Gregg A.

2017-01-01

Time-resolved spectrometric measurements of the Galaxy 11 geostationary satellite were collected on three consecutive nights in July 2014 with the 1.6-m telescope at the Observatoire du Mont-Mégantic in Québec, Canada. Approximately 300 low-resolution spectra (R ≈ 700 , where R = λ / Δλ) of the satellite were collected each night, covering a spectral range between 425 and 850 nm. The two objectives of the experiment were to conduct material-type identification from the spectra and to study how the spectral energy distribution inferred from these measurements varied as the illumination and observation geometry changed on nightly timescales. We present results that indicate the presence of a highly reflective aluminized surface corresponding to the solar concentrator arrays of the Galaxy 11 spacecraft. Although other material types could not be identified using the spectra, the results showed that the spectral energy distribution of the reflected sunlight from the Galaxy 11 spacecraft varied significantly, in a systematic manner, over each night of observation. The variations were quantified using colour indices calculated from the time-resolved spectrometric measurements.

Aqueous Reversed-Phase HPLC/FT-IR Using Diffuse Reflectance Detections

NASA Astrophysics Data System (ADS)

Kalasinsky, Victor F.; Pai, T. H.; Kenton, R. C.; Kalasinsky, Kathryn S.

1989-12-01

Solvent-elimination HPLC/FT-IR has become a viable combination of two important techniques, and we have been developing a system which is adaptable to both normal and reversed-phase liquid chromatography. The interface involves the deposition of HPLC eluites onto a KCI-laden train with subsequent analysis via diffuse reflectance spectroscopy, and with minor modifications, the system can be used with microbore and analytical columns. With aqueous solvents, the water is converted to methanol and acetone in a post-column reaction with 2,2-dimethoxypropane before the eluites are deposited. A number of different samples have been used to demonstrate the interface and its flexibility. Steroids, analgesics, and other pharmaceutical preparations have been separated with reverse-phase solvents and identified by their infrared spectra. For some of the compounds studied, different infrared spectra of a given compound have been found to exhibit intensity variations, which arise from different crystalline states. The differences can be concentration dependent and may be useful in obtaining semi-quantitative information from the infrared spectra. Applications involving both gradient elution and isocratic separations have been successful. The former provides the same advantages for HPLC/FT-IR as one finds in conventional HPLC. More recent work has been applied to the use of buffers such as those frequently used in bioanalytical separations. In trying to simplify the post-column reaction with water, we have immobilized dehydration reagents onto silica particles and packed these materials into a column which is inserted in-line after the analytical column. Of the reagents utilized to date, 3,3-dimethoxypropyltrimethoxysilane has been found to perform most efficiently. It has advantages over the simpler reagents because it can be regenerated in the reaction column. Results and the efficiency of the dehydration process and its relation to the type of reagent and its coverage will be discussed.

Fourier transform infrared evanescent wave (FTIR-FEW) spectroscopy of tissue

NASA Astrophysics Data System (ADS)

Bruch, Reinhard F.; Sukuta, Sydney; Afanasyeva, Natalia I.; Kolyakov, Sergei F.; Butvina, Leonid N.

1997-05-01

A new Fourier transform infrared fiberoptic evanescent wave (FTIR-FEW) spectroscopy method has been developed for tissue diagnostics in the middle infrared (MIR) wavelength range (3 to 20 micrometers). Specific novel fiberoptical chemical and biological sensors have been studied and used for spectroscopic diagnostic purposes. These nontoxic and nonhygroscopic fiber sensors are characterized by (1) low optical losses (0.05 to 0.2 dB/m at about 10 micrometer) and (2) high flexibility. Our new fiber optical devices can be utilized with standard commercially available Fourier transform spectrometers including attenuated total reflection (ATR) techniques. They are in particular ideally suited for noninvasive, fast, direct, sensitive investigations of in vivo and ex vivo medical diagnostics applications. Here we present data on IR spectra of skin tissue in vivo for various cases of melanoma and nevus in the range of 1480 - 1800 cm-1. The interpretation of the spectra of healthy and different stages of tumor and cancer skin tissue clearly indicates that this technique can be used for precancer and cancer diagnostics. This technique can be designed for real-time and on-line computer modeling and analysis of tissue changes.

M4AST - A Tool for Asteroid Modelling

NASA Astrophysics Data System (ADS)

Birlan, Mirel; Popescu, Marcel; Irimiea, Lucian; Binzel, Richard

2016-10-01

M4AST (Modelling for asteroids) is an online tool devoted to the analysis and interpretation of reflection spectra of asteroids in the visible and near-infrared spectral intervals. It consists into a spectral database of individual objects and a set of routines for analysis which address scientific aspects such as: taxonomy, curve matching with laboratory spectra, space weathering models, and mineralogical diagnosis. Spectral data were obtained using groundbased facilities; part of these data are precompiled from the literature[1].The database is composed by permanent and temporary files. Each permanent file contains a header and two or three columns (wavelength, spectral reflectance, and the error on spectral reflectance). Temporary files can be uploaded anonymously, and are purged for the property of submitted data. The computing routines are organized in order to accomplish several scientific objectives: visualize spectra, compute the asteroid taxonomic class, compare an asteroid spectrum with similar spectra of meteorites, and computing mineralogical parameters. One facility of using the Virtual Observatory protocols was also developed.A new version of the service was released in June 2016. This new release of M4AST contains a database and facilities to model more than 6,000 spectra of asteroids. A new web-interface was designed. This development allows new functionalities into a user-friendly environment. A bridge system of access and exploiting the database SMASS-MIT (http://smass.mit.edu) allows the treatment and analysis of these data in the framework of M4AST environment.Reference:[1] M. Popescu, M. Birlan, and D.A. Nedelcu, "Modeling of asteroids: M4AST," Astronomy & Astrophysics 544, EDP Sciences, pp. A130, 2012.

Near infrared diffuse reflection and laser-induced fluorescence spectroscopy for myocardial tissue characterisation

NASA Astrophysics Data System (ADS)

Nilsson, A. M. K.; Heinrich, D.; Olajos, J.; Andersson-Engels, S.

1997-10-01

In order to evaluate the potential of cardiovascular tissue characterisation using near-infrared (NIR) spectroscopy, spectra in a previously unexplored wavelength region 0.8-2.3 μm were recorded from various pig heart tissue samples in vitro: normal myocardium (with and without endo/epicardium), aorta, fatty and fibrous heart tissue. The spectra were analysed with principal component analysis (PCA), revealing several spectroscopically characteristic features enabling tissue classification. Several of the identified spectral features could be attributed to specific tissue constituents by comparing the tissue signals with spectra obtained from water, elastin, collagen and cholesterol as well as with published data. The results obtained with the NIR spectroscopy technique in terms of its potential to classify different tissue types were compared with those from laser-induced fluorescence (LIF) using 337 nm excitation. LIF and NIR spectroscopy can in combination with PCA be used to discriminate between all previously mentioned tissue groups, apart from fatty versus fibrous tissue (LIF) and aorta versus fibrous tissue (NIR), respectively. The NIR analysis was improved by focusing the PCA to the wavelength segment 2.0-2.3 μm, resulting in successful spectral characterisation of all cardiovascular tissue groups.

High resolution analysis of the FTIR spectra of trifluoroamine NF3

NASA Astrophysics Data System (ADS)

Bolotova, I. B.; Ulenikov, O. N.; Bekhtereva, E. S.; Albert, S.; Bauerecker, S.; Hollenstein, H.; Lerch, Ph.; Quack, M.; Peter, T.; Seyfang, G.; Wokaun, A.

2018-06-01

We report high resolution Fourier Transform Infrared (FTIR) spectra of nitrogen trifluoride (trifluoroamine, NF3) measured with the Zürich Bruker prototype spectrometer (ZP 2001) and the SLS THz/FTIR setup (2009 prototype) in the range 20-3000 cm-1 at temperatures between 80 and 120 K using a collisional cooling cell designed with White cell multipath reflection optics and at room temperature (296 K). Except in the far-infrared with instrument limited resolution (Δν˜FWHM = 0.0008 cm-1) many of the spectra are nearly Doppler limited. Rovibrational transitions were assigned to 13 different vibrational bands and were used then in the fitting procedure. We re-investigated the bands 2ν4,ν1,ν2 +ν4,ν1 +ν4 , 2ν3 and ν1 +ν3 , which had been studied before, and we have analyzed the ν2 +ν3 , 2ν1,ν1 +ν2 +ν4,ν1 +ν2 +ν3,ν2 + 2ν3, 3ν3,ν1 + 2ν3 bands for the first time. All our analyses refer to the isotopomer 14 NF3.

Combining near infrared spectra of feces and geostatistics to generate forage nutritional quality maps across landscapes

NASA Astrophysics Data System (ADS)

Jean, Pierre-Olivier; Bradley, Robert; Tremblay, Jean-Pierre

2015-04-01

An important asset for the management of wild ungulates is the ability to recognize the spatial distribution of forage quality across heterogeneous landscapes. To do so typically requires knowledge of which plant species are eaten, in what abundance they are eaten, and what their nutritional quality might be. Acquiring such data may be, however, difficult and time consuming. Here, we are proposing a rapid and cost-effective forage quality monitoring tool that combines near infrared (NIR) spectra of fecal samples and easily obtained data on plant community composition. Our approach rests on the premise that NIR spectra of fecal samples collected within low population density exclosures reflect the optimal forage quality of a given landscape. Forage quality can thus be based on the Mahalanobis distance of fecal spectral scans across the landscape relative to fecal spectral scans inside exclosures (referred to as DISTEX). The Gi* spatial autocorrelation statistic can then be applied among neighbouring DISTEX values to detect and map 'hot-spots' and 'cold-spots' of nutritional quality over the landscape. We tested our approach in a heterogeneous boreal landscape on Anticosti Island (Qu

Resonant Raman and FTIR spectra of carbon doped GaN

NASA Astrophysics Data System (ADS)

Ito, S.; Kobayashi, H.; Araki, K.; Suzuki, K.; Sawaki, N.; Yamashita, K.; Honda, Y.; Amano, H.

2015-03-01

Intentionally carbon (C) doped (0 0 0 1)GaN was grown using C2H2 on a sapphire substrate by metalorganic vapor phase epitaxy. Optical spectra of the heavily doped samples were investigated at room temperature. In Raman spectra excited by the 325 nm line of a He-Cd laser, multiple LO phonon scattering signals up to 7th order were observed, and the A1(LO) phonon energy was determined to be 737.5 cm-1 (91.45 meV). In infrared reflectance spectra, on the other hand, a local vibration mode was found at 777.5 cm-1, which is attributed to a Ga-C bond in the GaN matrix suggesting that the C sits on an N site (CN). In spite of the strong suggestion of CN, the samples did not show p-type conduction. Possible origin of the carrier compensation is discussed in relation to the enhancement of defect related yellow luminescence in the photoluminescence spectra.

Examinations of the matrix isolation fourier transform infrared spectra of organic compounds: Part XII

DOE Office of Scientific and Technical Information (OSTI.GOV)

Coleman, W. M., III; Gordon, B. M.; Lawrence, B. M.

1989-02-01

Matrix isolation Fourier transform infrared spectra (MI/FT-IR), massspectra (MS), carbon-13 Nuclear Magnetic Resonance (/sup 13/C-NMR) spectra,condensed-phase infrared spectra, and vapor-phase infrared (IR)spectra are presented for a series of terpene compounds. Subtle differencesin positional and configurational isomers commonly found withterpenes could be easily detected by the MI/FT-IR spectra. The resultsare comparable in some aspects to those obtainable from /sup 13/C-NMR andthin-film IR; however, most importantly, they are acquired at the lownanogram level for MI/FT-IR, as compared to the milligram level forthe other techniques. These results represent an advance in the technologyavailable for the analysis of complex mixtures such as essential oilscontainingmore » terpene-like molecules.« less

Intensity-Value Corrections for Integrating Sphere Measurements of Solid Samples Measured Behind Glass

DOE Office of Scientific and Technical Information (OSTI.GOV)

Johnson, Timothy J.; Bernacki, Bruce E.; Redding, Rebecca L.

2014-11-01

Accurate and calibrated directional-hemispherical reflectance spectra of solids are important for both in situ and remote sensing. Many solids are in the form of powders or granules and to measure their diffuse reflectance spectra in the laboratory, it is often necessary to place the samples behind a transparent medium such as glass for the ultraviolet (UV), visible, or near-infrared spectral regions. Using both experimental methods and a simple optical model, we demonstrate that glass (fused quartz in our case) leads to artifacts in the reflectance values. We report our observations that the measured reflectance values, for both hemispherical and diffusemore » reflectance, are distorted by the additional reflections arising at the air–quartz and sample–quartz interfaces. The values are dependent on the sample reflectance and are offset in intensity in the hemispherical case, leading to measured values up to ~6% too high for a 2% reflectance surface, ~3.8% too high for 10% reflecting surfaces, approximately correct for 40–60% diffuse-reflecting surfaces, and ~1.5% too low for 99% reflecting Spectralon® surfaces. For the case of diffuse-only reflectance, the measured values are uniformly too low due to the polished glass, with differences of nearly 6% for a 99% reflecting matte surface. The deviations arise from the added reflections from the quartz surfaces, as verified by both theory and experiment, and depend on sphere design. Finally, empirical correction factors were implemented into post-processing software to redress the artifact for hemispherical and diffuse reflectance data across the 300–2300 nm range.« less

Analysis Of Irtf Spex Near-infrared Observations Of Uranus: Aerosol Optical Properties And Latitudinally Variable Methane

NASA Astrophysics Data System (ADS)

Tice, Dane; Irwin, P. G. J.; Fletcher, L. N.; Teanby, N. A.; Hurley, J.; Orton, G. S.; Davis, G. R.

2012-10-01

We present results from the analysis of near-infrared spectra of Uranus observed in August 2009 with the SpeX spectrograph at the NASA Infrared Telescope Facility (IRTF). Spectra range from 0.8 to 1.8 μm at a spatial resolution of 0.5” and a spectral resolution of R = 1,200. This data is particularly well-suited to characterize the optical properties of aerosols in the Uranian stratosphere and upper troposphere. This is in part due to its coverage shortward of 1.0 μm where methane absorption, which dominates the features in the Uranian near-infrared spectrum, weakens slightly. Another particularly useful aspect of the data is it’s specific, highly spectrally resolved (R > 4,000) coverage of the collision-induced hydrogen quadrupole absorption band at 825 nm, enabling us to differentiate between methane abundance and cloud opacity. An optimal-estimation retrieval code, NEMESIS, is used to analyze the spectra, and atmospheric models are developed that represent good agreement with data in the full spectral range analyzed. Aerosol single-scattering albedos that reveal a strong wavelength dependence will be discussed. Additionally, an analysis of latitudinal methane variability is undertaken, utilizing two methods of analysis. First, a reflectance study from locations along the central meridian is undertaken. The spectra from these locations are centered around 825 nm, where the collision-induced absorption feature of hydrogen is utilized to distinguish between latitudinal changes in the spectrum due to aerosol opacity and those due to methane variability. Secondly, high resolution retrievals from 0.8 - 0.9 μm portion of the spectrum and spectral resolutions between R = 4,000 and 4,500 are used to make the same distinction. Both methods will be compared and discussed, as will their indications supporting a methane enrichment in the equatorial region of the planet.

ATR-FTIR spectroscopy reveals polycyclic aromatic hydrocarbon contamination despite relatively pristine site characteristics: Results of a field study in the Niger Delta.

PubMed

Obinaju, Blessing E; Martin, Francis L

2016-01-01

Fourier-transform infrared (FTIR) spectroscopy is an emerging technique to detect biochemical alterations in biological tissues, particularly changes due to sub-lethal exposures to environmental contaminants. We have previously shown the potential of attenuated total reflection FTIR (ATR-FTIR) spectroscopy to detect real-time exposure to contaminants in sentinel organisms as well as the potential to relate spectral alterations to the presence of specific environmental agents. In this study based in the Niger Delta (Nigeria), changes occurring in fish tissues as a result of polycyclic aromatic hydrocarbon (PAH) exposure at contaminated sites are compared to the infrared (IR) spectra of the tissues obtained from a relatively pristine site. Multivariate analysis revealed that PAH contamination could be occurring at the pristine site, based on the IR spectra and significant (P<0.0001) differences between sites. The study provides evidence of the IR spectroscopy techniques' sensitivity and supports their potential application in environmental biomonitoring. Copyright © 2016 Elsevier Ltd. All rights reserved.

Vacancy-Rich Monolayer BiO 2-x as a Highly Efficient UV, Visible, and Near-Infrared Responsive Photocatalyst

DOE PAGES

Li, Jun; Wu, Xiaoyong; Pan, Wenfeng; ...

2017-09-08

Here in this paper, a full-spectrum responsive vacancy-rich monolayer BiO 2-x has been synthesized. The increased density of states at the conduction band (CB) minimum in the monolayer BiO 2-x is responsible for the enhanced photon response and photo-absorption, which were confirmed by UV/Vis-NIR diffuse reflectance spectra (DRS) and photocurrent measurements. Compared to bulk BiO 2-x, monolayer BiO 2-x has exhibited enhanced photocatalytic performance for rhodamine B and phenol removal under UV, visible, and near-infrared light (NIR) irradiation, which can be attributed to the vacancy VBi-O"' as confirmed by the positron annihilation spectra. The presence of V Bi-O"' defects inmore » monolayer BiO 2-x promoted the separation of electrons and holes. This finding provides an atomic level understanding for developing highly efficient UV, visible, and NIR light responsive photocatalysts.« less

An empirical evaluation of three vibrational spectroscopic methods for detection of aflatoxins in maize.

PubMed

Lee, Kyung-Min; Davis, Jessica; Herrman, Timothy J; Murray, Seth C; Deng, Youjun

2015-04-15

Three commercially available vibrational spectroscopic techniques, including Raman, Fourier transform near infrared reflectance (FT-NIR), and Fourier transform infrared (FTIR) were evaluated to help users determine the spectroscopic method best suitable for aflatoxin analysis in maize (Zea mays L.) grain based on their relative efficiency and predictive ability. Spectral differences of Raman and FTIR spectra were more marked and pronounced among aflatoxin contamination groups than those of FT-NIR spectra. From the observations and findings in our current and previous studies, Raman and FTIR spectroscopic methods are superior to FT-NIR method in terms of predictive power and model performance for aflatoxin analysis and they are equally effective and accurate in predicting aflatoxin concentration in maize. The present study is considered as the first attempt to assess how spectroscopic techniques with different physical processes can influence and improve accuracy and reliability for rapid screening of aflatoxin contaminated maize samples. Copyright © 2014 Elsevier Ltd. All rights reserved.

Vacancy-Rich Monolayer BiO 2-x as a Highly Efficient UV, Visible, and Near-Infrared Responsive Photocatalyst

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Jun; Wu, Xiaoyong; Pan, Wenfeng

Here in this paper, a full-spectrum responsive vacancy-rich monolayer BiO 2-x has been synthesized. The increased density of states at the conduction band (CB) minimum in the monolayer BiO 2-x is responsible for the enhanced photon response and photo-absorption, which were confirmed by UV/Vis-NIR diffuse reflectance spectra (DRS) and photocurrent measurements. Compared to bulk BiO 2-x, monolayer BiO 2-x has exhibited enhanced photocatalytic performance for rhodamine B and phenol removal under UV, visible, and near-infrared light (NIR) irradiation, which can be attributed to the vacancy VBi-O"' as confirmed by the positron annihilation spectra. The presence of V Bi-O"' defects inmore » monolayer BiO 2-x promoted the separation of electrons and holes. This finding provides an atomic level understanding for developing highly efficient UV, visible, and NIR light responsive photocatalysts.« less

Infrared spectra of magnetoresistive ferromagnets in magnetic fields

NASA Astrophysics Data System (ADS)

Telegin, A. V.; Bessonova, V. A.; Sukhorukov, Yu. P.

2018-05-01

The influence of a magnetic field on reflection and transmission spectra of ferromagnetic manganites possessed the colossal magnetoresistance effect has been in the infrared range studied. It was shown that observed magnetotransmission and magnetoreflection of unpolarized light are an optical response to the colossal magnetoresistance in optimally doped manganites. Compared to crystals and multilayers the effects are the most pronounced and reach the magnitude of up to few tens of percent in single-layer thin films near the Curie temperature. A new low-temperature mechanism of magnetotransmission connected with the tunnel magnetoresistance was revealed far below the Curie point in Ba-doped manganite films with a variant structure. The observed magneto-optical effects in manganites can be described in the framework of the magnetorefractive effect theory. The observed effects are one or two orders of magnitude greater than the conventional IR magnetooptical phenomena in manganites. Being quite large, magnetoreflection and magnetotransmission effects in manganites structures could be successfully used in optoelectronics.

A comparison of the far-infrared and low-frequency Raman spectra of glass-forming liquids

NASA Astrophysics Data System (ADS)

Perova, T. S.; Vij, J. K.; Christensen, D. H.; Nielsen, O. F.

1999-04-01

Far-infrared and low-frequency Raman spectra in the wavenumber range from 15 to 500 cm -1 were recorded for glycerol, triacetin (glycerol triacetate) and o-terphenyl at temperatures from 253 to 355 K. The far-infrared spectra of glycerol appear complex compared with the spectra of triacetin owing to the presence of hydrogen bonding in glycerol. The experimental results obtained for o-terphenyl are in good agreement with normal mode analyses carried out for crystalline o-terphenyl (A. Criado, F.J. Bermejo, A. de Andres, Mol. Phys. 82 (1994) 787). The far-infrared results are compared with the low-frequency Raman spectra of these three glass-forming liquids. The difference in temperature dependences found from these spectra is explained on the basis of different temperature contributions of the relaxational and vibrational processes to the low-frequency vibrational spectra.

Testing forward model against OCO-2 and TANSO-FTS/GOSAT observed spectra in near infrared range

NASA Astrophysics Data System (ADS)

Zadvornykh, Ilya V.; Gribanov, Konstantin G.

2015-11-01

An existing software package FIRE-ARMS (Fine InfraRed Explorer for Atmospheric Remote MeasurementS) was modified by embedding vector radiative transfer model VLIDORT. Thus the program tool includes both thermal (TIR) and near infrared (NIR) regions. We performed forward simulation of near infrared spectra on the top of the atmosphere for outgoing radiation accounting multiple scattering in cloudless atmosphere. Simulated spectra are compared with spectra measured by TANSO-FTS/GOSAT and OCO-2 in the condition of cloudless atmosphere over Western Siberia. NCEP/NCAR reanalysis data were used to complete model atmosphere.

SO2 frost - UV-visible reflectivity and Io surface coverage

NASA Technical Reports Server (NTRS)

Nash, D. B.; Fanale, F. P.; Nelson, R. M.

1980-01-01

The reflectance spectrum in the range 0.24-0.85 microns of SO2 frost is measured in light of the discovery of SO2 gas in the atmosphere of Io and the possible discovery of the frost on its surface. Frost deposits up to 1.5 mm thick were grown in vacuum at 130 K and bi-directional reflectance spectra were obtained. Typical SO2 frost is found to exhibit very low reflectivity (2-5%) at 0.30 microns, rising steeply at 0.32 microns to attain a maximum reflectivity (75-80%) at 4.0 microns and uniformly high reflectivity throughout the visible and near infrared. Comparison with the full disk spectrum of Io reveals that no more than 20% of the surface can be covered with optically thick SO2 frost. Combinations of surface materials including SO2 frost which can produce the observed spectrum are indicated.

Mapping iron oxides and the color of Australian soil using visible-near-infrared reflectance spectra

NASA Astrophysics Data System (ADS)

Viscarra Rossel, R. A.; Bui, E. N.; de Caritat, P.; McKenzie, N. J.

2010-12-01

Iron (Fe) oxide mineralogy in most Australian soils is poorly characterized, even though Fe oxides play an important role in soil function. Fe oxides reflect the conditions of pH, redox potential, moisture, and temperature in the soil environment. The strong pigmenting effect of Fe oxides gives most soils their color, which is largely a reflection of the soil's Fe mineralogy. Visible-near-infrared (vis-NIR) spectroscopy can be used to identify and measure the abundance of certain Fe oxides in soil, and the visible range can be used to derive tristimuli soil color information. The aims of this paper are (1) to measure the abundance of hematite and goethite in Australian soils from their vis-NIR spectra, (2) to compare these results to measurements of soil color, and (3) to describe the spatial variability of hematite, goethite, and soil color and map their distribution across Australia. We measured the spectra of 4606 surface soil samples from across Australia using a vis-NIR spectrometer with a wavelength range of 350-2500 nm. We determined the Fe oxide abundance for each sample using the diagnostic absorption features of hematite (near 880 nm) and goethite (near 920 nm) and derived a normalized iron oxide difference index (NIODI) to better discriminate between them. The NIODI was generalized across Australia with its spatial uncertainty using sequential indicator simulation, which resulted in a map of the probability of the occurrence of hematite and goethite. We also derived soil RGB color from the spectra and mapped its distribution and uncertainty across the country using sequential Gaussian simulations. The simulated RGB color values were made into a composite true color image and were also converted to Munsell hue, value, and chroma. These color maps were compared to the map of the NIODI, and both were used to interpret our results. The work presented here was validated by randomly splitting the data into training and test data sets, as well as by comparing our results to existing studies on the distribution of Fe oxides in Australian soils.

Low Temperature Reflectance Spectra of Titan Tholins

NASA Technical Reports Server (NTRS)

Roush, T. L.; Dalton, J. B.; Fonda, Mark (Technical Monitor)

2001-01-01

Compositional interpretation of remotely obtained reflectance spectra of outer solar system surfaces is achieved by a variety of methods. These include matching spectral curves, matching spectral features, quantitative spectral interpretation, and theoretical modeling of spectra. All of these approaches rely upon laboratory measurements of one kind or another. The bulk of these laboratory measurements are obtained with the sample of interest at ambient temperatures and pressures. However, surface temperatures of planets, satellites, and asteroids in the outer solar system are significantly cooler than ambient laboratory conditions on Earth. The infrared spectra of many materials change as a function of temperature. As has been recently demonstrated it is important to assess what effects colder temperatures have on spectral properties and hence, compositional interpretations. Titan tholin is a solid residue created by energetic processing of H-, C-, and N-bearing gases. Such residues can also be created by energetic processing if the gases are condensed into ices. Titan tholin has been suggested as a coloring agent for several surfaces in the outer solar system. Here we report laboratory measurements of Titan tholin at a temperature of 100 K and compare these to measurements of the same sample near room temperature. At low temperature the absorption features beyond 1 micrometer narrow slightly. At wavelengths greater than approx. 0.8 micrometer the overall reflectance of the sample decreases slightly making the sample less red at low temperatures. We will discuss the implications of the laboratory measurements for interpretation of cold outer solar system surfaces.

The effects of AVIRIS atmospheric calibration methodology on identification and quantitative mapping of surface mineralogy, Drum Mountains, Utah

NASA Technical Reports Server (NTRS)

Kruse, Fred A.; Dwyer, John L.

1993-01-01

The Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) measures reflected light in 224 contiguous spectra bands in the 0.4 to 2.45 micron region of the electromagnetic spectrum. Numerous studies have used these data for mineralogic identification and mapping based on the presence of diagnostic spectral features. Quantitative mapping requires conversion of the AVIRIS data to physical units (usually reflectance) so that analysis results can be compared and validated with field and laboratory measurements. This study evaluated two different AVIRIS calibration techniques to ground reflectance: an empirically-based method and an atmospheric model based method to determine their effects on quantitative scientific analyses. Expert system analysis and linear spectral unmixing were applied to both calibrated data sets to determine the effect of the calibration on the mineral identification and quantitative mapping results. Comparison of the image-map results and image reflectance spectra indicate that the model-based calibrated data can be used with automated mapping techniques to produce accurate maps showing the spatial distribution and abundance of surface mineralogy. This has positive implications for future operational mapping using AVIRIS or similar imaging spectrometer data sets without requiring a priori knowledge.

Far Infrared spectroscopy of proteinogenic and other less common amino acids

NASA Astrophysics Data System (ADS)

Iglesias-Groth, S.; Cataldo, F.

2018-05-01

Far infrared spectroscopy is a powerful tool complementing the potential of mid infrared spectroscopy for the search and identification of organic molecules in space. The far infrared spectra of a total of 29 amino acids are reported in this study. In addition to the spectra of 20 common proteinogenic amino acids, spectra of a selection of 9 non-proteinogenic amino acids are also reported, including the 2-aminoisobutyric acid or α-aminoisobutyric acid which, with glycine, it is one of the most abundant amino acids found in meteorites. The present database of 29 far infrared spectra may serve as reference in the search for amino acids in space environments, given the new apportunities that JWST offers for mid and far IR spectroscopy.

Application of visible and infrared spectroscopy for the evaluation of evolved glauconite

NASA Astrophysics Data System (ADS)

Chattoraj, Shovan L.; Banerjee, Santanu; van der Meer, Freek; Champati Ray, P. K.

2018-02-01

The Oligocene Maniyara Fort Formation in western India exhibits two distinct glauconite types with different maturation states, which are characterized by their spectral response in the visible to infrared spectrum of electromagnetic radiation. Spectral signatures of Maniyara Fort glauconites display absorption features at approximately 0.77, 1.08, 1.9, 2.3 μm in the visible-short-wave infrared (SWIR) and 2.8 and 10 μm in the mid-infrared (MIR) region which vary with K2O content of glauconite. The spectra of glauconite varies significantly as a function of its cationic contents and substitution in different sites. The maturity is found to increase in tandem with the metal-metal charge transfer (CT) and the Fe2+ dd absorption band respectively at 1.08 and 0.77 μm. H2O and OH- signatures at the NIR region reflect differences in the sensitivity of glauconites with different molecular H2O content. In the MIR region, a gradual shift of the Sisbnd O stretch at 10 μm towards lower wavelengths indicates the dominance of smectite layers in glauconites. This study demonstrates a strong correlation between the proportion of expandable layers in the glauconite structure with variations in characteristic band position, depth and symmetry in reflectance and emissivity.

Application of reflectance micro-Fourier Transform infrared analysis to the study of coal macerals: An example from the Late Jurassic to Early Cretaceous coals of the Mist Mountain Formation, British Columbia, Canada

USGS Publications Warehouse

Mastalerz, Maria; Bustin, R.M.

1996-01-01

The applicability of the reflectance micro-Fourier Transform infra-red spectroscopy (FTIR) technique for analyzing the distribution of functional groups in coal macerals is discussed. High quality of spectra, comparable to those obtained using other FTIR techniques (KBr pellet and transmission micro-FTIR), indicate this technique can be applied to characterizing functional groups under most conditions. The ease of sample preparation, the potential to analyze large intact samples, and ability to characterize organic matter in areas as small as 20 ??m are the main advantages of reflectance micro-FTIR. The quantitative aspects of reflectance micro-FTIR require further study. The examples from the coal seams of the Mist Mountain Formation, British Columbia show that at high volatile bituminous rank, reflectance micro-FTIR provides valuable information on the character of aliphatic chains of vitrinite and liptinite macerals. Because the character of aliphatic chains influences bond disassociation energies, such information is useful from a hydrocarbon generation viewpoint. In medium volatile bituminous coal liptinite macerals are usually not detectable but this technique can be used to study the degree of oxidation and reactivity of vitrinite and semifusinite.

Measuring cloud thermodynamic phase with shortwave infrared imaging spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Thompson, David R.; McCubbin, Ian; Gao, Bo Cai

Shortwave Infrared imaging spectroscopy enables accurate remote mapping of cloud thermodynamic phase at high spatial resolution. We describe a measurement strategy to exploit signatures of liquid and ice absorption in cloud top apparent reflectance spectra from 1.4 to 1.8 μm. This signal is generally insensitive to confounding factors such as solar angles, view angles, and surface albedo. We first evaluate the approach in simulation and then apply it to airborne data acquired in the Calwater-2/ACAPEX campaign of Winter 2015. Here NASA’s “Classic” Airborne Visible Infrared Imaging Spectrometer (AVIRIS-C) remotely observed diverse cloud formations while the U.S. Department of Energy ARMmore » Aerial Facility G-1 aircraft measured cloud integral and microphysical properties in situ. Finally, the coincident measurements demonstrate good separation of the thermodynamic phases for relatively homogeneous clouds.« less

Size Matters: FTIR Spectral Analysis of Apollo Regolith Samples Exhibits Grain Size Dependence.

NASA Astrophysics Data System (ADS)

Martin, Dayl; Joy, Katherine; Pernet-Fisher, John; Wogelius, Roy; Morlok, Andreas; Hiesinger, Harald

2017-04-01

The Mercury Thermal Infrared Spectrometer (MERTIS) on the upcoming BepiColombo mission is designed to analyse the surface of Mercury in thermal infrared wavelengths (7-14 μm) to investigate the physical properties of the surface materials [1]. Laboratory analyses of analogue materials are useful for investigating how various sample properties alter the resulting infrared spectrum. Laboratory FTIR analysis of Apollo fine (<1mm) soil samples 14259,672, 15401,147, and 67481,96 have provided an insight into how grain size, composition, maturity (i.e., exposure to space weathering processes), and proportion of glassy material affect their average infrared spectra. Each of these samples was analysed as a bulk sample and five size fractions: <25, 25-63, 63-125, 125-250, and <250 μm. Sample 14259,672 is a highly mature highlands regolith with a large proportion of agglutinates [2]. The high agglutinate content (>60%) causes a 'flattening' of the spectrum, with reduced reflectance in the Reststrahlen Band region (RB) as much as 30% in comparison to samples that are dominated by a high proportion of crystalline material. Apollo 15401,147 is an immature regolith with a high proportion of volcanic glass pyroclastic beads [2]. The high mafic mineral content results in a systematic shift in the Christiansen Feature (CF - the point of lowest reflectance) to longer wavelength: 8.6 μm. The glass beads dominate the spectrum, displaying a broad peak around the main Si-O stretch band (at 10.8 μm). As such, individual mineral components of this sample cannot be resolved from the average spectrum alone. Apollo 67481,96 is a sub-mature regolith composed dominantly of anorthite plagioclase [2]. The CF position of the average spectrum is shifted to shorter wavelengths (8.2 μm) due to the higher proportion of felsic minerals. Its average spectrum is dominated by anorthite reflectance bands at 8.7, 9.1, 9.8, and 10.8 μm. The average reflectance is greater than the other samples due to a lower proportion of glassy material. In each soil, the smallest fractions (0-25 and 25-63 μm) have CF positions 0.1-0.4 μm higher than the larger grain sizes. Also, the bulk-sample spectra mostly closely resemble the 0-25 μm sieved size fraction spectrum, indicating that this size fraction of each sample dominates the bulk spectrum regardless of other physical properties. This has implications for surface analyses of other Solar System bodies where some mineral phases or components could be concentrated in a particular size fraction. For example, the anorthite grains in 67481,96 are dominantly >25 μm in size and therefore may not contribute proportionally to the bulk average spectrum (compared to the <25 μm fraction). The resulting bulk spectrum of 67481,96 has a CF position 0.2 μm higher than all size fractions >25 microns and therefore does not represent a true average composition of the sample. Further investigation of how grain size and composition alters the average spectrum is required to fully understand infrared spectra of planetary surfaces. [1] - Hiesinger H., Helbert J., and MERTIS Co-I Team. (2010). The Mercury Radiometer and Thermal Infrared Spectrometer (MERTIS) for the BepiColombo Mission. Planetary and Space Science. 58, 144-165. [2] - NASA Lunar Sample Compendium. https://curator.jsc.nasa.gov/lunar/lsc/

Fabrication of frequency selective surface for band stop IR-filter

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mishra, Akshita, E-mail: akshitamishra27@gmail.com; Sudheer,; Tiwari, P.

2016-05-23

Fabrication and characterization of frequency selective surfaces (FSS) on silicon dioxide/ silicon is reported. Electron beam lithography based techniques are used for the fabrication of periodic slot structure in tungsten layer on silicon dioxide/silicon. The fabrication process consists of growth of SiO{sub 2} on silicon, tungsten deposition, electron beam lithography, and wet etching of tungsten. The optical characterization of the structural pattern was carried out using fourier transform infrared spectroscopy (FTIR). The reflectance spectra clearly show a resonance peak at 9.09 µm in the mid infrared region. This indicates that the patterned surface acts as band stop filter in the mid-infraredmore » region.« less

Overview of Vesta Mineralogy Diversity

NASA Technical Reports Server (NTRS)

DeSanctis, M. C.; Ammannito, E.; Capria, M. T.; Capaccioni, F.; Carraro, F.; Fonte, S.; Frigeri, A.; Magni, G.; Marchi, S.; Palomba, E.;

Vibrational structure of the polyunsaturated fatty acids eicosapentaenoic acid and arachidonic acid studied by infrared spectroscopy

NASA Astrophysics Data System (ADS)

Kiefer, Johannes; Noack, Kristina; Bartelmess, Juergen; Walter, Christian; Dörnenburg, Heike; Leipertz, Alfred

2010-02-01

The spectroscopic discrimination of the two structurally similar polyunsaturated C 20 fatty acids (PUFAs) 5,8,11,14,17-eicosapentaenoic acid and 5,8,11,14-eicosatetraenoic acid (arachidonic acid) is shown. For this purpose their vibrational structures are studied by means of attenuated total reflection (ATR) Fourier-transform infrared (FT-IR) spectroscopy. The fingerprint regions of the recorded spectra are found to be almost identical, while the C-H stretching mode regions around 3000 cm -1 show such significant differences as results of electronic and molecular structure alterations based on the different degree of saturation that both fatty acids can be clearly distinguished from each other.

[Measurements of the concentration of atmospheric CO2 based on OP/FTIR method and infrared reflecting scanning Fourier transform spectrometry].

PubMed

Wei, Ru-Yi; Zhou, Jin-Song; Zhang, Xue-Min; Yu, Tao; Gao, Xiao-Hui; Ren, Xiao-Qiang

2014-11-01

The present paper describes the observations and measurements of the infrared absorption spectra of CO2 on the Earth's surface with OP/FTIR method by employing a mid-infrared reflecting scanning Fourier transform spectrometry, which are the first results produced by the first prototype in China developed by the team of authors. This reflecting scanning Fourier transform spectrometry works in the spectral range 2 100-3 150 cm(-1) with a spectral resolution of 2 cm(-1). Method to measure the atmospheric molecules was described and mathematical proof and quantitative algorithms to retrieve molecular concentration were established. The related models were performed both by a direct method based on the Beer-Lambert Law and by a simulating-fitting method based on HITRAN database and the instrument functions. Concentrations of CO2 were retrieved by the two models. The results of observation and modeling analyses indicate that the concentrations have a distribution of 300-370 ppm, and show tendency that going with the variation of the environment they first decrease slowly and then increase rapidly during the observation period, and reached low points in the afternoon and during the sunset. The concentrations with measuring times retrieved by the direct method and by the simulating-fitting method agree with each other very well, with the correlation of all the data is up to 99.79%, and the relative error is no more than 2.00%. The precision for retrieving is relatively high. The results of this paper demonstrate that, in the field of detecting atmospheric compositions, OP/FTIR method performed by the Infrared reflecting scanning Fourier transform spectrometry is a feasible and effective technical approach, and either the direct method or the simulating-fitting method is capable of retrieving concentrations with high precision.

The remote sensing of algae

NASA Technical Reports Server (NTRS)

Thorne, J. F.

1977-01-01

State agencies need rapid, synoptic and inexpensive methods for lake assessment to comply with the 1972 Amendments to the Federal Water Pollution Control Act. Low altitude aerial photography may be useful in providing information on algal type and quantity. Photography must be calibrated properly to remove sources of error including airlight, surface reflectance and scene-to-scene illumination differences. A 550-nm narrow wavelength band black and white photographic exposure provided a better correlation to algal biomass than either red or infrared photographic exposure. Of all the biomass parameters tested, depth-integrated chlorophyll a concentration correlated best to remote sensing data. Laboratory-measured reflectance of selected algae indicate that different taxonomic classes of algae may be discriminated on the basis of their reflectance spectra.

IR Reflectance Properties Of Weakly And Strongly Absorbing Surface Films

NASA Astrophysics Data System (ADS)

Yen, Yu-Sze; Wong, James S.

1989-12-01

In an external reflection measurement, the optical properties of a surface film can give rise to a variety of spectral behavior on metallic and nonmetallic substrates. The diversity of behavior can be explained by the presence of transverse optical (TO) and longitudinal optical (LO) bands of the film in the infrared region. The excitation modes associated with these bands are directional with respect to the plane of the surface. Spectral interpretation is facilitated by understanding the roles of the TO and LO bands in reflectance spectra, the substrate selection rules for the appearance of these bands, and the relationship between the TO and LO frequencies. We will show that weakly absorbing films have a simpler optical behavior than strongly absorbing films.

Isosbestics in Infrared Aerosol Spectra: Proposed Applications for Remote Sensing.

DTIC Science & Technology

1989-04-01

droplet solutions and chemical reactions if the complex indices of refraction are known. The technique seems most applicable in the Rayleigh regime. Remote ... sensing , Isosbestics, Infrared, Infrared spectra, Atmosphere, Water, Aerosols, Rayleigh regime.

Laboratory Reflectance Spectra in the Middle-infrared: Effects of Grain Size on Spectral Features

NASA Astrophysics Data System (ADS)

Le Bras, A.; Erard, S.; Fulchignoni, M.

2000-10-01

Since spectral mineral features are sensitive to surface parameters, interpretation of remote-sensing asteroids spectra in terms of mineral composition is not easy nor unique, and laboratory spectra are needed in order to understand the influence of each parameter. We developped an experimental program at IAS, using the 2.5-120 microns interferometer spectrometer, to study the influence of surface parameters on mineral features. We present here the results obtained variing the grain size. We studied grain size effects with two types of terrestrial rocks: anorthosite (bright) and basalte (dark) in the 2-40 microns range. We observed variations of the spectral contrast with grain size, shifts in wavelengths and variations of the intensity of some characteristic spectral features, and appearence of transparency features at wavelengths longer than 8 microns.

Infrared reflectance spectra of Na2S with contaminant Na2CO3 - Effects of adsorbed H2O and CO2 and relation to studies of Io

NASA Technical Reports Server (NTRS)

Nash, Douglas B.

1988-01-01

A previously reported laboratory determination of the IR spectrum of Na2S is presently noted to have been incorrectly interpreted, due to the inadvertent contamination of the sample with Na2CO3. New Na2S spectra are presented, and the Na2CO3 spectrum is examined in order to demonstrate that this phase is the primary sample contaminant. Na2S is a candidate surface component on the Jupiter satellite, Io, in view of its apparent high IR brightness and spectral neutrality in the 1-5 micron range.

Organics and other molecules in the surfaces of Callisto and Ganymede.

PubMed

McCord, T B; Carlson, R W; Smythe, W D; Hansen, G B; Clark, R N; Hibbitts, C A; Fanale, F P; Granahan, J C; Segura, M; Matson, D L; Johnson, T V; Martin, P D

1997-10-10

Five absorption features are reported at wavelengths of 3.4, 3.88, 4. 05, 4.25, and 4.57 micrometers in the surface materials of the Galilean satellites Callisto and Ganymede from analysis of reflectance spectra returned by the Galileo mission near-infrared mapping spectrometer. Candidate materials include CO2, organic materials (such as tholins containing C(triple bond)N and C-H), SO2, and compounds containing an SH-functional group; CO2, SO2, and perhaps cyanogen [(CN)2] may be present within the surface material itself as collections of a few molecules each. The spectra indicate that the primary surface constituents are water ice and hydrated minerals.

Using Molecular Modeling in Teaching Group Theory Analysis of the Infrared Spectra of Organometallic Compounds

ERIC Educational Resources Information Center

Wang, Lihua

2012-01-01

A new method is introduced for teaching group theory analysis of the infrared spectra of organometallic compounds using molecular modeling. The main focus of this method is to enhance student understanding of the symmetry properties of vibrational modes and of the group theory analysis of infrared (IR) spectra by using visual aids provided by…

Diffuse Reflectance Spectroscopy for Total Carbon Analysis of Hawaiian Soils

NASA Astrophysics Data System (ADS)

McDowell, M. L.; Bruland, G. L.; Deenik, J. L.; Grunwald, S.; Uchida, R.

2010-12-01

Accurate assessment of total carbon (Ct) content is important for fertility and nutrient management of soils, as well as for carbon sequestration studies. The non-destructive analysis of soils by diffuse reflectance spectroscopy (DRS) is a potential supplement or alternative to the traditional time-consuming and costly combustion method of Ct analysis, especially in spatial or temporal studies where sample numbers are large. We investigate the use of the visible to near-infrared (VNIR) and mid-infrared (MIR) spectra of soils coupled with chemometric analysis to determine their Ct content. Our specific focus is on Hawaiian soils of agricultural importance. Though this technique has been introduced to the soil community, it has yet to be fully tested and used in practical applications for all soil types, and this is especially true for Hawaii. In short, DRS characterizes and differentiates materials based on the variation of the light reflected by a material at certain wavelengths. This spectrum is dependent on the material’s composition, structure, and physical state. Multivariate chemometric analysis unravels the information in a set of spectra that can help predict a property such as Ct. This study benefits from the remarkably diverse soils of Hawaii. Our sample set includes 216 soil samples from 145 pedons from the main Hawaiian Islands archived at the National Soil Survey Center in Lincoln, NE, along with more than 50 newly-collected samples from Kauai, Oahu, Molokai, and Maui. In total, over 90 series from 10 of the 12 soil orders are represented. The Ct values of these samples range from < 1% - 55%. We anticipate that the diverse nature of our sample set will ensure a model with applicability to a wide variety of soils, both in Hawaii and globally. We have measured the VNIR and MIR spectra of these samples and obtained their Ct values by dry combustion. Our initial analyses are conducted using only samples obtained from the Lincoln archive. In this preliminary case, we use Partial Least Squares (PLS) regression with cross validation to develop a prediction model for soils of unknown carbon content given only their spectral signature. We find R2 values of greater than 0.93 for the MIR spectra and 0.87 for the VNIR spectra, indicating a strong ability to correlate a soil’s spectrum with its Ct content. We build on these encouraging results by continuing chemometric analyses using the full data set, different data subsets, separate model calibration and validation groups, combined VNIR and MIR spectra, and exploring different data pretreatment options and variations to the PLS parameters.

Study of normal, fibrous and calcified aortic valve tissue by Raman and reflectance spectroscopy

NASA Astrophysics Data System (ADS)

Rodrigues, Kátia Calligaris; Munin, Egberto; Alves, Leandro P.; Silveira, Fabrício L.; Junior, Landulfo S.; De Lima, Carlos J.; Lázzaro, João C.; De Souza, Genivaldo C.; Piotto, José A. B.; Pacheco, Marcos T. T.; Zângaro, Renato A.

2007-02-01

Several studies have identified the degree of aortic valve calcification as a strong predictor both for the progression and outcome of aortic stenosis. In industrialized countries, aortic valve stenosis is most frequently caused by progressive calcification and degeneration of aortic cusps. However, there are no accurate methods to quantify the extent of aortic valve calcification. To provide a non-invasive alternative to biopsy, a range of optical methods have been investigated, including Raman and reflectance spectroscopy. A Raman spectrum can be used to access the molecular constitution of a particular tissue and classify it. Raman spectroscopy is largely used in the quantification and evaluation of human atherosclerosis, being a powerful technique for performing biochemical analysis without tissue removal. Nevertheless, increased thickness and disorganization of the collagen fibre network and extracellular matrix are known to affect the diffuse spectral reflectance of the tissue. A catheter with the "6 around 1" configuration, the central fiber transmit laser radiation to the sample and the scattered light is collected by the other six surrounding fibers, was used both for Raman and reflectance spectroscopy. A white light (krypton lamp, flashtube Model FX 1160 Perkin Elmer, USA) excitation was used for reflectance measurements. A Ti-sapphire (785nm, Spectra Physics, model 3900S, USA) laser, pumped by an argon laser (Spectra Physics, model Stabilite 2017, USA) was used as the near infrared Raman set up. Several ex-vivo spectra of aortic valve samples were analyzed. The results show a promising way to differentiate normal, fibrous and calcified tissue in aortic valve.

Orbital evidence for clay and acidic sulfate assemblages on Mars based on mineralogical analogs from Rio Tinto, Spain

NASA Astrophysics Data System (ADS)

Kaplan, Hannah H.; Milliken, Ralph E.; Fernández-Remolar, David; Amils, Ricardo; Robertson, Kevin; Knoll, Andrew H.

2016-09-01

Outcrops of hydrated minerals are widespread across the surface of Mars, with clay minerals and sulfates being commonly identified phases. Orbitally-based reflectance spectra are often used to classify these hydrated components in terms of a single mineralogy, although most surfaces likely contain multiple minerals that have the potential to record local geochemical conditions and processes. Reflectance spectra for previously identified deposits in Ius and Melas Chasma within the Valles Marineris, Mars, exhibit an enigmatic feature with two distinct absorptions between 2.2 and 2.3 μm. This spectral 'doublet' feature is proposed to result from a mixture of hydrated minerals, although the identity of the minerals has remained ambiguous. Here we demonstrate that similar spectral doublet features are observed in airborne, field, and laboratory reflectance spectra of rock and sediment samples from Rio Tinto, Spain. Combined visible-near infrared reflectance spectra and X-ray diffraction measurements of these samples reveal that the doublet feature arises from a mixture of Al-phyllosilicate (illite or muscovite) and jarosite. Analyses of orbital data from the Compact Reconnaissance Imaging Spectrometer for Mars (CRISM) shows that the martian spectral equivalents are also consistent with mixtures of Al-phyllosilicates and jarosite, where the Al-phyllosilicate may also include kaolinite and/or halloysite. A case study for a region within Ius Chasma demonstrates that the relative proportions of the Al-phyllosilicate(s) and jarosite vary within one stratigraphic unit as well as between stratigraphic units. The former observation suggests that the jarosite may be a diagenetic (authigenic) product and thus indicative of local pH and redox conditions, whereas the latter observation may be consistent with variations in sediment flux and/or fluid chemistry during sediment deposition.

A Multiscale Vibrational Spectroscopic Approach for Identification and Biochemical Characterization of Pollen

PubMed Central

Bağcıoğlu, Murat; Zimmermann, Boris; Kohler, Achim

2015-01-01

Background Analysis of pollen grains reveals valuable information on biology, ecology, forensics, climate change, insect migration, food sources and aeroallergens. Vibrational (infrared and Raman) spectroscopies offer chemical characterization of pollen via identifiable spectral features without any sample pretreatment. We have compared the level of chemical information that can be obtained by different multiscale vibrational spectroscopic techniques. Methodology Pollen from 15 different species of Pinales (conifers) were measured by seven infrared and Raman methodologies. In order to obtain infrared spectra, both reflectance and transmission measurements were performed on ground and intact pollen grains (bulk measurements), in addition, infrared spectra were obtained by microspectroscopy of multigrain and single pollen grain measurements. For Raman microspectroscopy measurements, spectra were obtained from the same pollen grains by focusing two different substructures of pollen grain. The spectral data from the seven methodologies were integrated into one data model by the Consensus Principal Component Analysis, in order to obtain the relations between the molecular signatures traced by different techniques. Results The vibrational spectroscopy enabled biochemical characterization of pollen and detection of phylogenetic variation. The spectral differences were clearly connected to specific chemical constituents, such as lipids, carbohydrates, carotenoids and sporopollenins. The extensive differences between pollen of Cedrus and the rest of Pinaceae family were unambiguously connected with molecular composition of sporopollenins in pollen grain wall, while pollen of Picea has apparently higher concentration of carotenoids than the rest of the family. It is shown that vibrational methodologies have great potential for systematic collection of data on ecosystems and that the obtained phylogenetic variation can be well explained by the biochemical composition of pollen. Out of the seven tested methodologies, the best taxonomical differentiation of pollen was obtained by infrared measurements on bulk samples, as well as by Raman microspectroscopy measurements of the corpus region of the pollen grain. Raman microspectroscopy measurements indicate that measurement area, as well as the depth of focus, can have crucial influence on the obtained data. PMID:26376486

Near-infrared and Mid-infrared Spectroscopic Techniques for a Fast and Nondestructive Quality Control of Thymi herba.

PubMed

Pezzei, Cornelia K; Schönbichler, Stefan A; Hussain, Shah; Kirchler, Christian G; Huck-Pezzei, Verena A; Popp, Michael; Krolitzek, Justine; Bonn, Günther K; Huck, Christian W

2018-04-01

In this study, novel near-infrared and attenuated total reflectance mid-infrared spectroscopic methods coupled with multivariate data analysis were established enabling the determination of thymol, rosmarinic acid, and the antioxidant capacity of Thymi herba. A new high-performance liquid chromatography method and UV-Vis spectroscopy were applied as reference methods. Partial least squares regressions were carried out as cross and test set validations. To reduce systematic errors, different data pretreatments, such as multiplicative scatter correction, 1st derivative, or 2nd derivative, were applied on the spectra. The performances of the two infrared spectroscopic techniques were evaluated and compared. In general, attenuated total reflectance mid-infrared spectroscopy demonstrated a slightly better predictive power (thymol: coefficient of determination = 0.93, factors = 3, ratio of performance to deviation = 3.94; rosmarinic acid: coefficient of determination = 0.91, factors = 3, ratio of performance to deviation = 3.35, antioxidant capacity: coefficient of determination = 0.87, factors = 2, ratio of performance to deviation = 2.80; test set validation) than near-infrared spectroscopy (thymol: coefficient of determination = 0.90, factors = 6, ratio of performance to deviation = 3.10; rosmarinic acid: coefficient of determination = 0.92, factors = 6, ratio of performance to deviation = 3.61, antioxidant capacity: coefficient of determination = 0.91, factors = 6, ratio of performance to deviation = 3.42; test set validation). The capability of infrared vibrational spectroscopy as a quick and simple analytical tool to replace conventional time and chemical consuming analyses for the quality control of T. herba could be demonstrated. Georg Thieme Verlag KG Stuttgart · New York.

The use of FT-IR reflection-absorbance spectroscopy to study photochemical degradation of polymeric coatings on mirrors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Webb, J.D.; Chughtai, A.R.; Czanderna, A.W.

1981-10-01

A technique is presented for in situ study of degradative changes in polymeric coatings on metallic substrates. The technique uses a controlled environment chamber in conjunction with a Fourier-transform infrared (FT-IR) spectrophotometer. The chamber design permits collection of IR reflection-absorbance spectra from a sample undergoing exposure to controlled ultraviolet (UV) radiation, gas mixtures, and temperatures. Initial data presented confirm the ability of the technique to provide information regarding the bulk photochemistry of bisphenol-A polycarbonate coatings on gold and aluminum substrates. Refinements of this technique should allow a detailed kinetic study of degradative reactions at the polymer/metal interface.

Use of FT-IR reflection-absorbance spectroscopy to study photochemical degradation of polymeric coatings on mirrors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Webb, J D; Schissel, P; Czanderna, A W

1981-01-01

A technique is presented for in situ study of degradative changes in polymeric coatings on metallic substrates. The technique uses a controlled environment chamber in conjunction with a Fourier-transform infrared (FT-IR) spectrophotometer. The chamber design permits collection of IR reflection-absorbance spectra from a sample undergoing exposure to controlled ultraviolet (uv) radiation, gas mixtures, and temperatures. Initial data presented confirm the ability of the technique to provide information regarding the bulk photochemistry of bisphenol-A polycarbonate coatings on gold and aluminum substrates. Refinements of this technique should allow a detailed kinetic study of degradative reactions at the polymer/metal interface.

Infrared Spectra of Polycyclic Aromatic Hydrocarbons (PAHs)

NASA Technical Reports Server (NTRS)

Bauschlicher, Charles W., Jr.; Bakes, E. L. O.

2000-01-01

We have computed the synthetic infrared spectra of some polycyclic aromatic hydrocarbons containing up to 54 carbon atoms. The species studied include ovalene, circumcoronene, dicoronylene, and hexabenzocoronene. We report spectra for anions, neutrals, cations, and multiply charged cations.

Differentiation of Normal and Malignant Breast Tissues using Infrared Spectroscopy

NASA Astrophysics Data System (ADS)

Mehrotra, Ranjana; Jangir, Deepak Kumar; Gupta, Alka; Kandpal, H. C.

2008-11-01

Infrared spectra of carcinomatous and their normal fore bearing tissues were collected in the 600 cm-1 to 4000 cm-1 region. Fourier Transform Infrared (FTIR) data of infiltrating ductal carcinoma of breast with different grades of malignancy from patients of different age groups were analyzed. Infrared spectra demonstrate significant spectral differences between the tumor sections of normal and the malignant breast tissues. In particular, changes in frequency and intensity in the spectra of protein, nucleic acid and glycogen were observed. This allows to make a qualitative and semi quantitative evaluation of the changes in proliferation activities from normal to diseased tissue. The findings establish a framework for additional studies, which may enable us to establish a relation of the diseased state with its infrared spectra.

Total reflection infrared spectroscopy of water-ice and frozen aqueous NaCl solutions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Walker, Rachel L.; Searles, Keith; Willard, Jesse A.

2013-12-28

Liquid-like and liquid water at and near the surface of water-ice and frozen aqueous sodium chloride films were observed using attenuated total reflection infrared spectroscopy (ATR-IR). The concentration of NaCl ranged from 0.0001 to 0.01 M and the temperature varied from the melting point of water down to 256 K. The amount of liquid brine at the interface of the frozen films with the germanium ATR crystal increased with salt concentration and temperature. Experimental spectra are compared to reflection spectra calculated for a simplified morphology of a uniform liquid layer between the germanium crystal and the frozen film. This morphologymore » allows for the amount of liquid observed in an experimental spectrum to be converted to the thickness of a homogenous layer with an equivalent amount of liquid. These equivalent thickness ranges from a nanometer for water-ice at 260 K to 170 nm for 0.01 M NaCl close to the melting point. The amounts of brine observed are over an order of magnitude less than the total liquid predicted by equilibrium thermodynamic models, implying that the vast majority of the liquid fraction of frozen solutions may be found in internal inclusions, grain boundaries, and the like. Thus, the amount of liquid and the solutes dissolved in them that are available to react with atmospheric gases on the surfaces of snow and ice are not well described by thermodynamic equilibrium models which assume the liquid phase is located entirely at the surface.« less

Evaluating Leaf and Canopy Reflectance of Stressed Rice Plants to Monitor Arsenic Contamination.

PubMed

Bandaru, Varaprasad; Daughtry, Craig S; Codling, Eton E; Hansen, David J; White-Hansen, Susan; Green, Carrie E

2016-06-18

Arsenic contamination is a serious problem in rice cultivated soils of many developing countries. Hence, it is critical to monitor and control arsenic uptake in rice plants to avoid adverse effects on human health. This study evaluated the feasibility of using reflectance spectroscopy to monitor arsenic in rice plants. Four arsenic levels were induced in hydroponically grown rice plants with application of 0, 5, 10 and 20 µmol·L(-1) sodium arsenate. Reflectance spectra of upper fully expanded leaves were acquired over visible and infrared (NIR) wavelengths. Additionally, canopy reflectance for the four arsenic levels was simulated using SAIL (Scattering by Arbitrarily Inclined Leaves) model for various soil moisture conditions and leaf area indices (LAI). Further, sensitivity of various vegetative indices (VIs) to arsenic levels was assessed. Results suggest that plants accumulate high arsenic amounts causing plant stress and changes in reflectance characteristics. All leaf spectra based VIs related strongly with arsenic with coefficient of determination (r²) greater than 0.6 while at canopy scale, background reflectance and LAI confounded with spectral signals of arsenic affecting the VIs' performance. Among studied VIs, combined index, transformed chlorophyll absorption reflectance index (TCARI)/optimized soil adjusted vegetation index (OSAVI) exhibited higher sensitivity to arsenic levels and better resistance to soil backgrounds and LAI followed by red edge based VIs (modified chlorophyll absorption reflectance index (MCARI) and TCARI) suggesting that these VIs could prove to be valuable aids for monitoring arsenic in rice fields.

Analysis and identification of two reconstituted tobacco sheets by three-level infrared spectroscopy

NASA Astrophysics Data System (ADS)

Wu, Xian-xue; Xu, Chang-hua; Li, Ming; Sun, Su-qin; Li, Jin-ming; Dong, Wei

2014-07-01

Two kinds of reconstituted tobacco (RT) from France (RTF) and China (RTC) were analyzed and identified by a three-level infrared spectroscopy method (Fourier-transform infrared spectroscopy (FT-IR) coupled with second derivative infrared spectroscopy (SD-IR) and two-dimensional infrared correlation spectroscopy (2D-IR)). The conventional IR spectra of RTF parallel samples were more consistent than those of RTC according to their overlapped parallel spectra and IR spectra correlation coefficients. FT-IR spectra of both two RTs were similar in holistic spectral profile except for small differences around 1430 cm-1, indicating that they have similar chemical constituents. By analysis of SD-IR spectra of RTFs and RTCs, more distinct fingerprint features, especially peaks at 1106 (1110), 1054 (1059) and 877 (874) cm-1, were disclosed. Even better reproducibility of five SD-IR spectra of RTF in 1750-1400 cm-1 could be seen intuitively from their stacked spectra and could be confirmed by further similarity evaluation of SD-IR spectra. Existence of calcium carbonate and calcium oxalate could be easily observed in two RTs by comparing their spectra with references. Furthermore, the 2D-IR spectra provided obvious, vivid and intuitive differences of RTF and RTC. Both two RTs had a pair of strong positive auto-peaks in 1600-1400 cm-1. Specifically, the autopeak at 1586 cm-1 in RTF was stronger than the one around 1421 cm-1, whereas the one at 1587 cm-1 in RTC was weaker than that at 1458 cm-1. Consequently, the RTs of two different brands were analyzed and identified thoroughly and RTF had better homogeneity than RTC. As a result, three-level infrared spectroscopy method has proved to be a simple, convenient and efficient method for rapid discrimination and homogeneousness estimation of RT.

In Situ Infrared Spectroelectrochemistry.

DTIC Science & Technology

1986-07-30

The serious if the solvent is water , which staLe of the incident light, mechanism of absorption involves in- absorbs strongly throughout most of In...reflection uses a 3b shows spectra taken with the same thin-layer cell. where bulk electrolyses potentials as in 3a (this time using a of solution species...away from tion of both s-polarized and p-polar- ing neutral species and the highly con- the regions of strong water absorpt ion. ized light, and thought

The Ma_Miss instrument performance, I: Analysis of rocks powders by Martian VNIR spectrometer

NASA Astrophysics Data System (ADS)

De Angelis, Simone; De Sanctis, Maria Cristina; Ammannito, Eleonora; Carli, Cristian; Di Iorio, Tatiana; Altieri, Francesca

2014-10-01

The ExoMars/Ma_Miss instrument is a miniaturized spectrometer that will observe the Martian subsoil in the visible and near infrared range (VNIR, 0.4-2.2 μm) with high spatial resolution, 120 μm. It will be integrated in the Drilling system of the Pasteur Rover of the ExoMars 2018 mission, and will acquire reflectance spectra of the borehole wall performed by the Drill, at various depths down to 2 m. The laboratory breadboard instrument consists of the main subsystems: illumination system, optical fibres for illumination and signal collection, and optical elements for light focusing. It has been interfaced with a commercial spectrometer, the FieldSpec Pro©. The primary aim of this work is to compare the VNIR measurements and spectral parameters derived from the spectra acquired with the Ma_Miss breadboard and with a second laboratory setup. Reflectance spectra have been acquired on a set of six rock powder samples representative of Martian soil. Nine different grain size ranges of each sample have been measured with the breadboard and five spectral parameters were used to explore the Ma_Miss spectra. Those data were compared with spectra acquired by the FieldSpec Pro® coupled with a goniometer. The analyses of these spectral parameters evidence the correlation between the VNIR continuum slope and the grain size, and the correlation between the reflectance and the grain size; both the parameters tend to decrease as the grain size increases. The trends observed with Ma_Miss breadboard for NIR and VNIR slopes and for the reflectance are clearly consistent with the trends observed with the spectro-goniometer setup, although small differences are seen that can be explained with the different viewing geometries of the two instruments. Ma_Miss proves to have great capabilities for extracting spectroscopic information to constrain the mineralogy and some physical parameters of the analysed material.

Characterization and identification of microorganisms by FT-IR microspectrometry

NASA Astrophysics Data System (ADS)

Ngo-Thi, N. A.; Kirschner, C.; Naumann, D.

2003-12-01

We report on a novel FT-IR approach for microbial characterization/identification based on a light microscope coupled to an infrared spectrometer which offers the possibility to acquire IR-spectra of microcolonies containing only few hundred cells. Microcolony samples suitable for FT-IR microspectroscopic measurements were obtained by a replica technique with a stamping device that transfers spatially accurate cells of microcolonies growing on solid culture plates to a special, IR-transparent or reflecting stamping plate. High quality spectra could be recorded either by applying the transmission/absorbance or the reflectance/absorbance mode of the infrared microscope. Signal to noise ratios higher than 1000 were obtained for microcolonies as small as 40 μm in diameter. Reproducibility levels were established that allowed species and strain identification. The differentiation and classification capacity of the FT-IR microscopic technique was tested for different selected microorganisms. Cluster and factor analysis methods were used to evaluate the complex spectral data. Excellent discrimination between bacteria and yeasts, and at the same time Gram-negative and Gram-positive bacterial strains was obtained. Twenty-two selected strains of different species within the genus Staphylococcus were repetitively measured and could be grouped into correct species cluster. Moreover, the results indicated that the method allows also identifications at the subspecies level. Additionally, the new approach allowed spectral mapping analysis of single colonies which provided spatially resolved characterization of growth heterogeneity within complex microbial populations such as colonies.

Design and Fabrication of a Real-Time Measurement System for the Capsaicinoid Content of Korean Red Pepper (Capsicum annuum L.) Powder by Visible and Near-Infrared Spectroscopy.

PubMed

Lim, Jongguk; Kim, Giyoung; Mo, Changyeun; Kim, Moon S

2015-10-29

This research aims to design and fabricate a system to measure the capsaicinoid content of red pepper powder in a non-destructive and rapid method using visible and near infrared spectroscopy (VNIR). The developed system scans a well-leveled powder surface continuously to minimize the influence of the placenta distribution, thus acquiring stable and representative reflectance spectra. The system incorporates flat belts driven by a sample input hopper and stepping motor, a powder surface leveler, charge-coupled device (CCD) image sensor-embedded VNIR spectrometer, fiber optic probe, and tungsten halogen lamp, and an automated reference measuring unit with a reference panel to measure the standard spectrum. The operation program includes device interface, standard reflectivity measurement, and a graphical user interface to measure the capsaicinoid content. A partial least square regression (PLSR) model was developed to predict the capsaicinoid content; 44 red pepper powder samples whose measured capsaicinoid content ranged 13.45-159.48 mg/100 g by per high-performance liquid chromatography (HPLC) and 1242 VNIR absorbance spectra acquired by the pungency measurement system were used. The determination coefficient of validation (RV2) and standard error of prediction (SEP) for the model with the first-order derivative pretreatment method for Korean red pepper powder were 0.8484 and ±13.6388 mg/100 g, respectively.

Evaluation of photostability of solid-state nicardipine hydrochloride polymorphs by using Fourier-transformed reflection-absorption infrared spectroscopy - effect of grinding on the photostability of crystal form.

PubMed

Teraoka, Reiko; Otsuka, Makoto; Matsuda, Yoshihisa

2004-11-22

Photostability and physicochemical properties of nicardipine hydrochloride polymorphs (alpha- and beta-form) were studied by using Fourier-transformed reflection-absorption infrared spectroscopy (FT-IR-RAS) of the tablets, X-ray powder diffraction analysis, differential scanning calorimetry (DSC), and color difference measurement. It was clear from the results of FT-IR-RAS spectra after irradiation that nicardipine hydrochloride in the solid state decomposed to its pyridine derivative when exposed to light. The photostability of the ground samples of two forms was also measured in the same manner. The two crystalline forms of the drug changed to nearly amorphous form after 150 min grinding in a mixer mill. X-ray powder diffraction patterns of those ground samples showed almost halo patterns. The nicardipine hydrochloride content on the surface of the tablet was determined based on the absorbance at 1700 cm(-1) attributable to the C=O stretch vibration in FT-IR-RAS spectra before and after irradiation by fluorescent lamp (3500 lx). The photodegradation followed apparently the first-order kinetics for any sample. The apparent photodegradation rate constant of beta-form was greater than that of alpha-form. The ground samples decomposed rapidly under the same light irradiation as compared with the intact crystalline forms. The photodegradation rate constant decreased with increase of the heat of fusion. copyright 2004 Elsevier B.V.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Grant, Ashleigh; Wilkinson, T.J.; Holman, Thomas

Analysis of fingerprints has predominantly focused on matching the pattern of ridges to a specific person as a form of identification. The present work focuses on identifying extrinsic materials that are left within a person's fingerprint after recent handling of such materials. Specifically, we employed infrared spectromicroscopy to locate and positively identify microscopic particles from a mixture of common materials in the latent human fingerprints of volunteer subjects. We were able to find and correctly identify all test substances based on their unique infrared spectral signatures. Spectral imaging is demonstrated as a method for automating recognition of specific substances inmore » a fingerprint. We also demonstrate the use of Attenuated Total Reflectance (ATR) and synchrotron-based infrared spectromicroscopy for obtaining high-quality spectra from particles that were too thick or too small, respectively, for reflection/absorption measurements. We believe the application of this rapid, non-destructive analytical technique to the forensic study of latent human finger prints has the potential to add a new layer of information available to investigators. Using fingerprints to not only identify who was present at a crime scene, but also to link who was handling key materials will be a powerful investigative tool.« less

Discrimination of various paper types using diffuse reflectance ultraviolet-visible near-infrared (UV-Vis-NIR) spectroscopy: forensic application to questioned documents.

PubMed

Kumar, Raj; Kumar, Vinay; Sharma, Vishal

2015-06-01

Diffuse reflectance ultraviolet-visible-near-infrared (UV-Vis-NIR) spectroscopy is applied as a means of differentiating various types of writing, office, and photocopy papers (collected from stationery shops in India) on the basis of reflectance and absorbance spectra that otherwise seem to be almost alike in different illumination conditions. In order to minimize bias, spectra from both sides of paper were obtained. In addition, three spectra from three different locations (from one side) were recorded covering the upper, middle, and bottom portions of the paper sample, and the mean average reflectivity of both the sides was calculated. A significant difference was observed in mean average reflectivity of Side A and Side B of the paper using Student's pair >t-test. Three different approaches were used for discrimination: (1) qualitative features of the whole set of samples, (2) principal component analysis, and (3) a combination of both approaches. On the basis of the first approach, i.e., qualitative features, 96.49% discriminating power (DP) was observed, which shows highly significant results with the UV-Vis-NIR technique. In the second approach the discriminating power is further enhanced by incorporating the principal component analysis (PCA) statistical method, where this method describes each UV-Vis spectrum in a group through numerical loading values connected to the first few principal components. All components described 100% variance of the samples, but only the first three PCs are good enough to explain the variance (PC1 = 51.64%, PC2 = 47.52%, and PC3 = 0.54%) of the samples; i.e., the first three PCs described 99.70% of the data, whereas in the third approach, the four samples, C, G, K, and N, out of a total 19 samples, which were not differentiated using qualitative features (approach no. 1), were therefore subjected to PCA. The first two PCs described 99.37% of the spectral features. The discrimination was achieved by using a loading plot between PC1 and PC2. It is therefore concluded that maximum discrimination of writing, office, and photocopy paper could be achieved on the basis of the second approach. Hence, the present inexpensive analytical method can be appropriate for application to routine questioned document examination work in forensic laboratories because it provides nondestructive, quantitative, reliable, and repeatable results.

Earthshine and Extrasolar Planets

NASA Astrophysics Data System (ADS)

Traub, W. A.; Kaltenegger, L.; Turnbull, M. C.; Jucks, K. W.

2006-05-01

The search for life on extrasolar planets requires first that we find terrestrial-mass planets around nearby stars, and second that we determine habitability and search for signs of life. The Terrestrial Planet Finder missions, a Coronagraph (TPF-C) and an Interferometer (TPF-I in the US, also Darwin in Europe) are designed to carry out these tasks. This talk will focus on how we could determine habitability and search for signs of life with these missions. In the visible and near-infrared, TPF-C could measure O2, H2O, O3, Rayleigh scattering, and the red-edge reflection of land planet leaves; on an early-Earth twin it also could measure CO2 and CH4. In the mid-infrared, TPF-I/Darwin could measure CO2, O3, H2O, and temperature. To validate some of these expectations, we observed Earthshine spectra in the visible and near-infrared, and modeled these spectra with our line-by-line radiative transfer code. We find that the major gas and reflection components are present in the data, and that a simple model of the Earth is adequate to represent the data, within the observational uncertainties. We determined that the Earth appears to be habitable, and also shows signs of life. However to validate the time variable features, including the continent-ocean differences, the presence of weather patterns, the large-scale variability of cloud types and altitude, and the rotation period of the planet, we need to obtain a continuous time-series of observations covering multiple rotations; these observations could be carried out in the coming years, using, for example, a site at the South Pole.

A rapid field test for the measurement of bovine serum immunoglobulin G using attenuated total reflectance infrared spectroscopy.

PubMed

Elsohaby, Ibrahim; Hou, Siyuan; McClure, J Trenton; Riley, Christopher B; Shaw, R Anthony; Keefe, Gregory P

2015-08-20

Following the recent development of a new approach to quantitative analysis of IgG concentrations in bovine serum using transmission infrared spectroscopy, the potential to measure IgG levels using technology and a device better designed for field use was investigated. A method using attenuated total reflectance infrared (ATR) spectroscopy in combination with partial least squares (PLS) regression was developed to measure bovine serum IgG concentrations. ATR spectroscopy has a distinct ease-of-use advantage that may open the door to routine point-of-care testing. Serum samples were collected from calves and adult cows, tested by a reference RID method, and ATR spectra acquired. The spectra were linked to the RID-IgG concentrations and then randomly split into two sets: calibration and prediction. The calibration set was used to build a calibration model, while the prediction set was used to assess the predictive performance and accuracy of the final model. The procedure was repeated for various spectral data preprocessing approaches. For the prediction set, the Pearson's and concordance correlation coefficients between the IgG measured by RID and predicted by ATR spectroscopy were both 0.93. The Bland Altman plot revealed no obvious systematic bias between the two methods. ATR spectroscopy showed a sensitivity for detection of failure of transfer of passive immunity (FTPI) of 88 %, specificity of 100 % and accuracy of 94 % (with IgG <1000 mg/dL as the FTPI cut-off value). ATR spectroscopy in combination with multivariate data analysis shows potential as an alternative approach for rapid quantification of IgG concentrations in bovine serum and the diagnosis of FTPI in calves.

Modification of kaolinite surfaces through mechanochemical activation with quartz: A diffuse reflectance infrared fourier transform and chemometrics study.

PubMed

Carmody, Onuma; Frost, Ray L; Kristóf, János; Kokot, Serge; Kloprogge, J Theo; Makó, Eva

2006-12-01

Studies of kaolinite surfaces are of industrial importance. One useful method for studying the changes in kaolinite surface properties is to apply chemometric analyses to the kaolinite surface infrared spectra. A comparison is made between the mechanochemical activation of Kiralyhegy kaolinites with significant amounts of natural quartz and the mechanochemical activation of Zettlitz kaolinite with added quartz. Diffuse reflectance infrared Fourier transform (DRIFT) spectra were analyzed using principal component analysis (PCA) and multi-criteria decision making (MCDM) methods, the preference ranking organization method for enrichment evaluations (PROMETHEE) and geometrical analysis for interactive assistance (GAIA). The clear discrimination of the Kiralyhegy spectral objects on the two PC scores plots (400-800 and 800-2030 cm(-1)) indicated the dominance of quartz. Importantly, no ordering of any spectral objects appeared to be related to grinding time in the PC plots of these spectral regions. Thus, neither the kaolinite nor the quartz are systematically responsive to grinding time according to the spectral criteria investigated. The third spectral region (2600-3800 cm(-1), OH vibrations), showed apparent systematic ordering of the Kiralyhegy and, to a lesser extent, Zettlitz spectral objects with grinding time. This was attributed to the effect of the natural quartz on the delamination of kaolinite and the accompanying phenomena (i.e., formation of kaolinite spheres and water). The mechanochemical activation of kaolinite and quartz, through dry grinding, results in changes to the surface structure. Different grinding times were adopted to study the rate of destruction of the kaolinite and quartz structures. This relationship (i.e., grinding time) was classified using PROMETHEE and GAIA methodology.

Simulated infrared spectra of triflic acid during proton dissociation.

PubMed

Laflamme, Patrick; Beaudoin, Alexandre; Chapaton, Thomas; Spino, Claude; Soldera, Armand

2012-05-05

Vibrational analysis of triflic acid (TfOH) at different water uptakes was conducted. This molecule mimics the sulfonate end of the Nafion side-chain. As the proton leaves the sulfonic acid group, structural changes within the Nafion side-chain take place. They are revealed by signal shifts in the infrared spectrum. Molecular modeling is used to follow structural modifications that occur during proton dissociation. To confirm the accuracy of the proposed structures, infrared spectra were computed via quantum chemical modeling based on density functional theory. The requirement to use additional diffuse functions in the basis set is discussed. Comparison between simulated infrared spectra of 1 and 2 acid molecules with different water contents and experimental data was performed. An accurate description of infrared spectra for systems containing 2 TfOH was obtained. Copyright © 2012 Wiley Periodicals, Inc.

Preliminary evaluation of infrared spectroscopy for the differentiation of Brettanomyces bruxellensis strains isolated from red wines.

PubMed

Oelofse, A; Malherbe, S; Pretorius, I S; Du Toit, M

2010-10-15

The objective of this study was to evaluate different infrared spectroscopy methods in combination with chemometrics for the differentiation between Brettanomyces bruxellensis strains. These methods of discrimination were applied to intact yeast cells of B. bruxellensis strains and on wines spoiled by the same strains. Eleven wine isolates of B. bruxellensis were evaluated for volatile phenol production in red wine and their genetic diversity was determined by Restriction Endonuclease Analysis-Pulsed Field Gel Electrophoresis (REA-PFGE). Fourier transform mid-infrared (FTMIR) spectroscopy was used to obtain spectral fingerprints of the spoiled wines. Attenuated total reflectance (ATR) was used to obtain spectral fingerprints from the intact cells of the 11 B. bruxellensis strains. The groupings from the genetic fingerprints obtained with REA-PFGE were used as reference firstly for comparison with the groupings observed with the FTMIR spectral fingerprint of the wines and secondly for the FTIR-ATR spectral fingerprints from the whole cells. Results indicated that ATR-IR spectra obtained by scanning whole cells of B. bruxellensis could be useful for rapid strain typing in comparison or complementary to molecular techniques and FTMIR spectra from wines provide a useful resource for the discrimination between B. bruxellensis contaminated wines. Copyright © 2010 Elsevier B.V. All rights reserved.

Influence of Aromatic Molecules on the Structure and Spectroscopy of Water Clusters

NASA Astrophysics Data System (ADS)

Tabor, Daniel P.; Sibert, Edwin; Walsh, Patrick S.; Zwier, Timothy S.

2016-06-01

Isomer-specific resonant ion-dip infrared spectra are presented for benzene-(water)_n, 1-2-diphenoxyethane-(water)_n, and tricyclophane-(water)_n clusters. The IR spectra are modeled with a local mode Hamiltonian that was originally formulated for the analysis of benzene-(water)_n clusters with up to seven waters. The model accounts for stretch-bend Fermi coupling, which can complicate the IR spectra in the 3150-3300 cm-1 region. When the water clusters interact with each of the solutes, the hydrogen bond lengths between the water molecules change in a characteristic way, reflecting the strength of the solute-water interaction. These structural effects are also reflected spectroscopically in the shifts of the local mode OH stretch frequencies. When diphenoxyethane is the solute, the water clusters distort more significantly than when bound to benzene. Tricyclophane's structure provides an aromatic-rich binding pocket for the water clusters. The local mode model is used to extract Hamiltonians for individual water molecules. These monomer Hamiltonians divide into groups based on their local H-bonding architecture, allowing for further classification of the wide variety of water environments encountered in this study.

Hyperspectral monitoring of chemically sensitive plant sentinels

NASA Astrophysics Data System (ADS)

Simmons, Danielle A.; Kerekes, John P.; Raqueno, Nina G.

2009-08-01

Automated detection of chemical threats is essential for an early warning of a potential attack. Harnessing plants as bio-sensors allows for distributed sensing without a power supply. Monitoring the bio-sensors requires a specifically tailored hyperspectral system. Tobacco plants have been genetically engineered to de-green when a material of interest (e.g. zinc, TNT) is introduced to their immediate vicinity. The reflectance spectra of the bio-sensors must be accurately characterized during the de-greening process for them to play a role in an effective warning system. Hyperspectral data have been collected under laboratory conditions to determine the key regions in the reflectance spectra associated with the degreening phenomenon. Bio-sensor plants and control (nongenetically engineered) plants were exposed to TNT over the course of two days and their spectra were measured every six hours. Rochester Institute of Technologys Digital Imaging and Remote Sensing Image Generation Model (DIRSIG) was used to simulate detection of de-greened plants in the field. The simulated scene contains a brick school building, sidewalks, trees and the bio-sensors placed at the entrances to the buildings. Trade studies of the bio-sensor monitoring system were also conducted using DIRSIG simulations. System performance was studied as a function of field of view, pixel size, illumination conditions, radiometric noise, spectral waveband dependence and spectral resolution. Preliminary results show that the most significant change in reflectance during the degreening period occurs in the near infrared region.

THE 3–4  μ m SPECTRA OF JUPITER TROJAN ASTEROIDS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brown, M. E., E-mail: mbrown@caltech.edu

To date, reflectance spectra of Jupiter Trojan asteroids have revealed no distinctive absorption features. For this reason, the surface composition of these objects remains a subject of speculation. Spectra have revealed, however, that the Jupiter Trojan asteroids consist of two distinct sub-populations that differ in the optical to near-infrared colors. The origins and compositional differences between the two sub-populations remain unclear. Here, we report the results from a 2.2–3.8 μ m spectral survey of a collection of 16 Jupiter Trojan asteroids, divided equally between the two sub-populations. We find clear spectral absorption features centered around 3.1 μ m in themore » less-red population. Additional absorption consistent with that expected from organic materials might also be present. No such features are see in the red population. A strong correlation exists between the strength of the 3.1 μ m absorption feature and the optical to near-infrared color of the objects. While, traditionally, absorptions such as these in dark asteroids are modeled as being due to fine-grain water frost, we find it physically implausible that the special circumstances required to create such fine-grained frost would exist on a substantial fraction of the Jupiter Trojan asteroids. We suggest, instead, that the 3.1 μ m absorption on Trojans and other dark asteroids could be due to N–H stretch features. Additionally, we point out that reflectivities derived from WISE observations show a strong absorption beyond 4 μ m for both populations. The continuum of 3.1 μ m features and the common absorption beyond 4 μ m might suggest that both sub-populations of Jupiter Trojan asteroids formed in the same general region of the early solar system.« less

The Reference Forward Model (RFM)

NASA Astrophysics Data System (ADS)

Dudhia, Anu

2017-01-01

The Reference Forward Model (RFM) is a general purpose line-by-line radiative transfer model, currently supported by the UK National Centre for Earth Observation. This paper outlines the algorithms used by the RFM, focusing on standard calculations of terrestrial atmospheric infrared spectra followed by a brief summary of some additional capabilities and extensions to microwave wavelengths and extraterrestrial atmospheres. At its most basic level - the 'line-by-line' component - it calculates molecular absorption cross-sections by applying the Voigt lineshape to all transitions up to ±25 cm-1 from line-centre. Alternatively, absorptions can be directly interpolated from various forms of tabulated data. These cross-sections are then used to construct infrared radiance or transmittance spectra for ray paths through homogeneous cells, plane-parallel or circular atmospheres. At a higher level, the RFM can apply instrumental convolutions to simulate measurements from Fourier transform spectrometers. It can also calculate Jacobian spectra and so act as a stand-alone forward model within a retrieval scheme. The RFM is designed for robustness, flexibility and ease-of-use (particularly by the non-expert), and no claims are made for superior accuracy, or indeed novelty, compared to other line-by-line codes. Its main limitations at present are a lack of scattering and simplified modelling of surface reflectance and line-mixing.

High-speed mid-infrared hyperspectral imaging using quantum cascade lasers

NASA Astrophysics Data System (ADS)

Kelley, David B.; Goyal, Anish K.; Zhu, Ninghui; Wood, Derek A.; Myers, Travis R.; Kotidis, Petros; Murphy, Cara; Georgan, Chelsea; Raz, Gil; Maulini, Richard; Müller, Antoine

2017-05-01

We report on a standoff chemical detection system using widely tunable external-cavity quantum cascade lasers (ECQCLs) to illuminate target surfaces in the mid infrared (λ = 7.4 - 10.5 μm). Hyperspectral images (hypercubes) are acquired by synchronously operating the EC-QCLs with a LN2-cooled HgCdTe camera. The use of rapidly tunable lasers and a high-frame-rate camera enables the capture of hypercubes with 128 x 128 pixels and >100 wavelengths in <0.1 s. Furthermore, raster scanning of the laser illumination allowed imaging of a 100-cm2 area at 5-m standoff. Raw hypercubes are post-processed to generate a hypercube that represents the surface reflectance relative to that of a diffuse reflectance standard. Results will be shown for liquids (e.g., silicone oil) and solid particles (e.g., caffeine, acetaminophen) on a variety of surfaces (e.g., aluminum, plastic, glass). Signature spectra are obtained for particulate loadings of RDX on glass of <1 μg/cm2.

FTIR-ATR infrared spectroscopy for the detection of ochratoxin A in dried vine fruit.

PubMed

Galvis-Sánchez, Andrea C; Barros, Antonio; Delgadillo, Ivonne

2007-11-01

A method of screening sultanas for ochratoxin A (OTA) contamination, using mid-infrared spectroscopy/Golden Gate single-reflection ATR (attenuated total reflection), is described. The main spectral characteristics of sultanas from different sources were identified in a preliminary acquisition and spectral analysis study. Principal component analysis (PCA) showed that samples of various origins had different spectral characteristics, especially in water content and the fingerprint region. A lack of reproducibility was observed in the spectra acquired on different days. However, spectral repeatability was greatly improved when water activity of the sample was set at 0.62. A calibration curve of OTA was constructed in the range 10-40 microg OTA kg(-1). Samples with OTA levels higher than 20 microg kg(-1) were separated from samples contaminated with a lower concentration (10 microg OTA kg(-1)) and from uncontaminated samples. The reported methodology is a reliable and simple technique for screening dried vine fruit for OTA.

Quantitative evaluation of multiple adulterants in roasted coffee by Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS) and chemometrics.

PubMed

Reis, Nádia; Franca, Adriana S; Oliveira, Leandro S

2013-10-15

The current study presents an application of Diffuse Reflectance Infrared Fourier Transform Spectroscopy for detection and quantification of fraudulent addition of commonly employed adulterants (spent coffee grounds, coffee husks, roasted corn and roasted barley) to roasted and ground coffee. Roasted coffee samples were intentionally blended with the adulterants (pure and mixed), with total adulteration levels ranging from 1% to 66% w/w. Partial Least Squares Regression (PLS) was used to relate the processed spectra to the mass fraction of adulterants and the model obtained provided reliable predictions of adulterations at levels as low as 1% w/w. A robust methodology was implemented that included the detection of outliers. High correlation coefficients (0.99 for calibration; 0.98 for validation) coupled with low degrees of error (1.23% for calibration; 2.67% for validation) confirmed that DRIFTS can be a valuable analytical tool for detection and quantification of adulteration in ground, roasted coffee. Copyright © 2013 Elsevier B.V. All rights reserved.

Classification of pumpkin seed oils according to their species and genetic variety by attenuated total reflection Fourier-transform infrared spectroscopy.

PubMed

Saucedo-Hernández, Yanelis; Lerma-García, María Jesús; Herrero-Martínez, José Manuel; Ramis-Ramos, Guillermo; Jorge-Rodríguez, Elisa; Simí-Alfonso, Ernesto F

2011-04-27

Attenuated total reflection Fourier-transform infrared spectroscopy (ATR-FTIR), followed by multivariate treatment of the spectral data, was used to classify seed oils of the genus Cucurbita (pumpkins) according to their species as C. maxima, C. pepo, and C. moschata. Also, C. moschata seed oils were classified according to their genetic variety as RG, Inivit C-88, and Inivit C-2000. Up to 23 wavelength regions were selected on the spectra, each region corresponding to a peak or shoulder. The normalized absorbance peak areas within these regions were used as predictors. Using linear discriminant analysis (LDA), an excellent resolution among all categories concerning both Cucurbita species and C. moschata varieties was achieved. The proposed method was straightforward and quick and can be easily implemented. Quality control of pumpkin seed oils is important because Cucurbita species and genetic variety are both related to the pharmaceutical properties of the oils.

Rapid identification of soil cadmium pollution risk at regional scale based on visible and near-infrared spectroscopy.

PubMed

Chen, Tao; Chang, Qingrui; Clevers, J G P W; Kooistra, L

2015-11-01

Soil heavy metal pollution due to long-term sewage irrigation is a serious environmental problem in many irrigation areas in northern China. Quickly identifying its pollution status is an important basis for remediation. Visible-near-infrared reflectance spectroscopy (VNIRS) provides a useful tool. In a case study, 76 soil samples were collected and their reflectance spectra were used to estimate cadmium (Cd) concentration by partial least squares regression (PLSR) and back propagation neural network (BPNN). To reduce noise, six pre-treatments were compared, in which orthogonal signal correction (OSC) was first used in soil Cd estimation. Spectral analysis and geostatistics were combined to identify Cd pollution hotspots. Results showed that Cd was accumulated in topsoil at the study area. OSC can effectively remove irrelevant information to improve prediction accuracy. More accurate estimation was achieved by applying a BPNN. Soil Cd pollution hotspots could be identified by interpolating the predicted values obtained from spectral estimates. Copyright © 2015 Elsevier Ltd. All rights reserved.

Minimally invasive screening for colitis using attenuated total internal reflectance Fourier transform infrared spectroscopy

PubMed Central

Titus, Jitto; Viennois, Emilie; Merlin, Didier; Perera, A. G. Unil

2016-01-01

This article describes a rapid, simple and cost-effective technique that could lead to a screening method for colitis without the need for biopsies or in vivo measurements. This screening technique includes the testing of serum using Attenuated Total Reflectance Fourier Transform Infrared (ATR-FTIR) spectroscopy for the colitis-induced increased presence of mannose. Chronic (Interleukin 10 knockout) and acute (Dextran Sodium Sulphate-induced) models for colitis are tested using the ATR-FTIR technique. Arthritis (Collagen Antibody Induced Arthritis) and metabolic syndrome (Toll like receptor 5 knockout) models are also tested as controls. The marker identified as mannose uniquely screens and distinguishes the colitic from the non-colitic samples and the controls. The reference or the baseline spectrum could be the pooled and averaged spectra of non-colitic samples or the subject's previous sample spectrum. This shows the potential of having individualized route maps of disease status, leading to personalized diagnosis and drug management. PMID:27094092

Differentiation of Body Fluid Stains on Fabrics Using External Reflection Fourier Transform Infrared Spectroscopy (FT-IR) and Chemometrics.

PubMed

Zapata, Félix; de la Ossa, Ma Ángeles Fernández; García-Ruiz, Carmen

2016-04-01

Body fluids are evidence of great forensic interest due to the DNA extracted from them, which allows genetic identification of people. This study focuses on the discrimination among semen, vaginal fluid, and urine stains (main fluids in sexual crimes) placed on different colored cotton fabrics by external reflection Fourier transform infrared spectroscopy (FT-IR) combined with chemometrics. Semen-vaginal fluid mixtures and potential false positive substances commonly found in daily life such as soaps, milk, juices, and lotions were also studied. Results demonstrated that the IR spectral signature obtained for each body fluid allowed its identification and the correct classification of unknown stains by means of principal component analysis (PCA) and soft independent modeling of class analogy (SIMCA). Interestingly, results proved that these IR spectra did not show any bands due to the color of the fabric and no substance of those present in daily life which were analyzed, provided a false positive. © The Author(s) 2016.

Use of visible and near infrared reflectance spectra to predict lipid peroxidation of light lamb meat and discriminate dam's feeding systems.

PubMed

Ripoll, G; Lobón, S; Joy, M

2018-09-01

Measurement of thiobarbituric acid reactive substances (TBARS) is a well-established method for determine lipid oxidation in meat. This assay, however, is time-consuming and generates undesired chemical waste. Dam's milk is the principal source of vitamins and provitamins that delay lipid oxidation of light lamb meat; these compounds are stored in the lamb's muscle tissue. Hence, lamb meat could be used to determine the origin of the dam's diet. The aim of this study is to evaluate Near-infrared reflectance spectroscopy (NIRS) as a tool for determining the lipid peroxidation of light lamb meat and differentiate the meat of light lambs according the diet of their dams during lactation (grazing alfalfa, lucerne, or fed a total mixed ration). NIRS using select wavelengths was able to detect the lipid oxidation of meat (TBARS method). NIRS can detect analytes at concentrations of parts per million. Moreover, the feed diets were discriminated successfully. Copyright © 2018 Elsevier Ltd. All rights reserved.

Application of partial least squares near-infrared spectral classification in diabetic identification

NASA Astrophysics Data System (ADS)

Yan, Wen-juan; Yang, Ming; He, Guo-quan; Qin, Lin; Li, Gang

2014-11-01

In order to identify the diabetic patients by using tongue near-infrared (NIR) spectrum - a spectral classification model of the NIR reflectivity of the tongue tip is proposed, based on the partial least square (PLS) method. 39sample data of tongue tip's NIR spectra are harvested from healthy people and diabetic patients , respectively. After pretreatment of the reflectivity, the spectral data are set as the independent variable matrix, and information of classification as the dependent variables matrix, Samples were divided into two groups - i.e. 53 samples as calibration set and 25 as prediction set - then the PLS is used to build the classification model The constructed modelfrom the 53 samples has the correlation of 0.9614 and the root mean square error of cross-validation (RMSECV) of 0.1387.The predictions for the 25 samples have the correlation of 0.9146 and the RMSECV of 0.2122.The experimental result shows that the PLS method can achieve good classification on features of healthy people and diabetic patients.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Harris, Alan W.; Drube, Line, E-mail: alan.harris@dlr.de

The metal content of asteroids is of great interest, not only for theories of their origins and the evolution of the solar system but, in the case of near-Earth objects (NEOs), also for impact mitigation planning and endeavors in the field of planetary resources. However, since the reflection spectra of metallic asteroids are largely featureless, it is difficult to identify them and relatively few are known. We show how data from the Wide-field Infrared Survey Explorer (WISE)/NEOWISE thermal-infrared survey and similar surveys, fitted with a simple thermal model, can reveal objects likely to be metal rich. We provide a listmore » of candidate metal-rich NEOs. Our results imply that future infrared surveys with the appropriate instrumentation could discover many more metal-rich asteroids, providing valuable data for assessment of the impact hazard and the potential of NEOs as reservoirs of vital materials for future interplanetary space activities and, eventually perhaps, for use on Earth.« less

Experimental evaluation of achromatic phase shifters for mid-infrared starlight suppression.

PubMed

Gappinger, Robert O; Diaz, Rosemary T; Ksendzov, Alexander; Lawson, Peter R; Lay, Oliver P; Liewer, Kurt M; Loya, Frank M; Martin, Stefan R; Serabyn, Eugene; Wallace, James K

2009-02-10

Phase shifters are a key component of nulling interferometry, one of the potential routes to enabling the measurement of faint exoplanet spectra. Here, three different achromatic phase shifters are evaluated experimentally in the mid-infrared, where such nulling interferometers may someday operate. The methods evaluated include the use of dispersive glasses, a through-focus field inversion, and field reversals on reflection from antisymmetric flat-mirror periscopes. All three approaches yielded deep, broadband, mid-infrared nulls, but the deepest broadband nulls were obtained with the periscope architecture. In the periscope system, average null depths of 4x10(-5) were obtained with a 25% bandwidth, and 2x10(-5) with a 20% bandwidth, at a central wavelength of 9.5 mum. The best short term nulls at 20% bandwidth were approximately 9x10(-6), in line with error budget predictions and the limits of the current generation of hardware.

Large-area, near-infrared (IR) photonic crystals with colloidal gold nanoparticles embedding.

PubMed

Shukla, Shobha; Baev, Alexander; Jee, Hongsub; Hu, Rui; Burzynski, Ryszard; Yoon, Yong-Kyu; Prasad, Paras N

2010-04-01

A polymeric composite material composed of colloidal gold nanoparticles (<10 nm) and SU8 has been utilized for the fabrication of large-area, high-definition photonic crystal. We have successfully fabricated near-infrared photonic crystal slabs from composite materials using a combination of multiple beam interference lithography and reactive ion etching processes. Doping of colloidal gold nanoparticles into the SU8 photopolymer results in a better definition of structural features and hence in the enhancement of the optical properties of the fabricated photonic crystals. A 2D air hole array of triangular symmetry with a hole-to-hole pitch of approximately 500 nm has been successfully fabricated in a large circular area of 1 cm diameter. Resonant features observed in reflectance spectra of our slabs are found to depend on the exposure time, and can be tuned over a range of near-infrared frequencies.

Microorganisms detection on substrates using QCL spectroscopy

NASA Astrophysics Data System (ADS)

Padilla-Jiménez, Amira C.; Ortiz-Rivera, William; Castro-Suarez, John R.; Ríos-Velázquez, Carlos; Vázquez-Ayala, Iris; Hernández-Rivera, Samuel P.

2013-05-01

Recent investigations have focused on the improvement of rapid and accurate methods to develop spectroscopic markers of compounds constituting microorganisms that are considered biological threats. Quantum cascade lasers (QCL) systems have revolutionized many areas of research and development in defense and security applications, including his area of research. Infrared spectroscopy detection based on QCL was employed to acquire mid infrared (MIR) spectral signatures of Bacillus thuringiensis (Bt), Escherichia coli (Ec) and Staphylococcus epidermidis (Se), which were used as biological agent simulants of biothreats. The experiments were carried out in reflection mode on various substrates such as cardboard, glass, travel baggage, wood and stainless steel. Chemometrics statistical routines such as principal component analysis (PCA) regression and partial least squares-discriminant analysis (PLS-DA) were applied to the recorded MIR spectra. The results show that the infrared vibrational techniques investigated are useful for classification/detection of the target microorganisms on the types of substrates studied.

Infrared Absorption by Atmospheric Aerosols in Mexico City during MILAGRO.

NASA Astrophysics Data System (ADS)

Kelley, K. L.; Mangu, A.; Gaffney, J. S.; Marley, N. A.

2007-12-01

Past research in our group using cylindrical internal reflectance spectroscopy has indicated that aqueous aerosols could contribute to the radiative warming as greenhouse species (1,2). Although aerosol radiative effects have been known for sometime and are considered one of the major uncertainties in climate change modeling, most of the studies have focused on the forcing due to scattering and absorption of radiation in the uv- visible region (3). Infrared spectral information also allows the confirmation of key functional groups that are responsible for enhanced absorption observations from secondary organics in the uv-visible region. This work extends our efforts to evaluate the infrared absorption by aerosols, particularly organics, that are now found to be a major fraction of urban and regional aerosols in the 0.1 to 1.0 micron size range and to help identify key types of organics that can contribute to aerosol absorption. During the MILAGRO campaign, quartz filter samples were taken at 12-hour intervals from 5 am to 5 pm (day) and from 5 pm to 5 am (night) during the month of March 2006. These samples were taken at the two super-sites, T-0 (Instituto Mexicano de Petroleo in Mexico City) and T-1 (Universidad Technologica de Tecamac, State of Mexico). The samples have been characterized for total carbon content (stable isotope mass spectroscopy) and natural radionuclide tracers, as well as for their UV-visible spectroscopic properties by using integrating sphere diffuse reflectance spectroscopy (Beckman DU with a Labsphere accessory). These same samples have been characterized in the mid and near infrared spectral ranges using diffuse reflection spectroscopy (Nicolet 6700 FTIR with a Smart Collector accessory). Aerosol samples were removed from the surfaces of the aerosol filters by using Si-Carb sampler. The samples clearly indicate the presence of carbonyl organic constituents and the spectra are quite similar to those observed for humic and fulvic acids found as colloidal materials in surface and groundwaters (4). Examples of the IR spectra obtained and variance as a function of time at the two sites will be presented. The spectra are taken in Kubelka - Munk format, which also allows the infrared absorption strengths to be evaluated as function of wavelength. The wavelength dependence of the aerosol complex refractive index (m = n + ik) in the infrared spectral region is determined by application of the Kramers Kronig function. The importance of the aerosol absorption in the infrared spectral region to radiative forcing will be discussed. 1. N.A. Marley, J.S. Gaffney, and M.M. Cunningham,Environ. Sci. Technol. 27 2864-2869 (1993). 2. N.A. Marley, J.S. Gaffney, and M.M. Cunningham, Spectroscopy 7 44-53 (1992). 3. J.S. Gaffney and N.A. Marley, Atmospheric Environment, New Directions contribution, 32, 2873-2874 (1998). 4. N.A. Marley, J.S. Gaffney, and K.A. Orlandini, Chapter 7 in Humic/Fulvic Acids and Organic Colloidal Materials in the Environment, ACS Symposium Series 651, American Chemical Society, Washington, D.C., pp. 96-107, 1996. This work was performed as part of the Department of Energy's Megacity Aerosol Experiment - Mexico City (MAX- Mex) under the support of the Atmospheric Science Program. This research was supported by the Office of Science (BER), U.S. Department of Energy, Grant No. DE-FG02-07ER64328.

Optical properties of nucleobase thin films as studied by attenuated total reflection and surface-enhanced Raman spectroscopy

NASA Astrophysics Data System (ADS)

Kim, MinSuk; Ham, Won Kyu; Kim, Wonyoung; Hwangbo, Chang Kwon; Choi, Eun Ha; Lee, Geon Joon

2018-04-01

Optical properties of nucleobase thin films were studied by attenuated total reflection (ATR) and surface-enhanced Raman spectroscopy (SERS). Adenine and guanine films were deposited on fused silica and silver at room temperature by thermal evaporation, and the normal dispersion of refractive indices of transparent adenine and guanine films in the visible and near-infrared regions were analyzed. The measured ATR spectra of adenine (guanine) films and numerical simulations by optical transfer matrix formalism demonstrate that the shift of surface plasmon resonance (SPR) wavelength is approximately linearly proportional to the adenine (guanine) film thickness, indicating that SPR can be used for quantitative measurements of biomaterials. The Raman spectra indicated that the adenine (guanine) films can be deposited by thermal evaporation. The adenine (guanine) films on silver exhibited Raman intensity enhancement as compared to those on glass, which was attributed to the SPR effect of silver platform and might play a role as a hot plate for SERS detection of biomaterials.

Synthesis of a ternary Ag/RGO/ZnO nanocomposite via microwave irradiation and its application for the degradation of Rhodamine B under visible light.

PubMed

Surendran, Divya Kollikkara; Xavier, Marilyn Mary; Viswanathan, Vandana Parakkal; Mathew, Suresh

2017-06-01

Reduced graphene oxide supporting plasmonic photocatalyst (Ag) on ZnO has been synthesized via a facile two-step microwave synthesis using RGO/ZnO and AgNO 3 . First step involves fabrication of RGO/ZnO via microwave irradiation. The nanocomposites were characterized by X-ray diffraction analysis, transmission electron microscopy, Fourier transform infrared spectroscopy, and Raman spectroscopy. Ag/RGO/ZnO shows enhanced photoactivity under visible light for the degradation of Rhodamine B. Enhanced charge separation and migration have been assigned using UV-vis diffuse reflectance spectra, photoluminescence spectra, electrochemical impedance spectra, and TCSPC analysis. The improved photoactivity of Ag/RGO/ZnO can be ascribed to the prolonged lifetime of photogenerated electron-hole pairs and effective interfacial hybridization between RGO and Ag with ZnO nanoparticles. Ag nanoparticles can absorb visible light via surface plasmon resonance to enhance photocatalytic activity.

Strong confinement of optical fields using localized surface phonon polaritons in cubic boron nitride.

PubMed

Chatzakis, Ioannis; Krishna, Athith; Culbertson, James; Sharac, Nicholas; Giles, Alexander J; Spencer, Michael G; Caldwell, Joshua D

2018-05-01

Phonon polaritons (PhPs) are long-lived electromagnetic modes that originate from the coupling of infrared (IR) photons with the bound ionic lattice of a polar crystal. Cubic-boron nitride (cBN) is such a polar, semiconductor material which, due to the light atomic masses, can support high-frequency optical phonons. Here we report on random arrays of cBN nanostructures fabricated via an unpatterned reactive ion etching process. Fourier-transform infrared reflection spectra suggest the presence of localized surface PhPs within the reststrahlen band, with quality factors in excess of 38 observed. These can provide the basis of next-generation IR optical components such as antennas for communication, improved chemical spectroscopies, and enhanced emitters, sources, and detectors.

Derivation of scaled surface reflectances from AVIRIS data

NASA Technical Reports Server (NTRS)

Gao, Bo-Cai; Heidebrecht, Kathleen B.; Goetz, Alexander F. H.

1993-01-01

A method for retrieving 'scaled surface reflectances' assuming horizontal surfaces having Lambertian reflectances from spectral data collected by Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) is presented here. In this method, the integrated water vapor amount on a pixel by pixel basis is derived from the 0.94 micron and 1.14 micron water vapor absorption features. The transmission spectra of H2O, CO2, O3, N2O, CO, CH4, and O2 in the 0.4-2.5 micron region are simulated. The scattering effect due to atmospheric molecules and aerosols is modeled with the 5S computer code. The AVIRIS radiances are divided by solar irradiances above the atmosphere to obtain the apparent reflectances. The scaled surface reflectances are derived from the apparent reflectances using the simulated atmospheric gaseous transmittances and the simulated molecular and aerosol scattering data. The scaled surface reflectances differ from the real surface reflectances by a multiplicative factor. In order to convert the scaled surface reflectances into real surface reflectances, the slopes and aspects of the surfaces must be known.

Rapid differentiation of Listeria monocytogenes epidemic clones III and IV and their intact compared with heat-killed populations using Fourier transform infrared spectroscopy and chemometrics.

PubMed

Nyarko, Esmond B; Puzey, Kenneth A; Donnelly, Catherine W

2014-06-01

The objectives of this study were to determine if Fourier transform infrared (FT-IR) spectroscopy and multivariate statistical analysis (chemometrics) could be used to rapidly differentiate epidemic clones (ECs) of Listeria monocytogenes, as well as their intact compared with heat-killed populations. FT-IR spectra were collected from dried thin smears on infrared slides prepared from aliquots of 10 μL of each L. monocytogenes ECs (ECIII: J1-101 and R2-499; ECIV: J1-129 and J1-220), and also from intact and heat-killed cell populations of each EC strain using 250 scans at a resolution of 4 cm(-1) in the mid-infrared region in a reflectance mode. Chemometric analysis of spectra involved the application of the multivariate discriminant method for canonical variate analysis (CVA) and linear discriminant analysis (LDA). CVA of the spectra in the wavelength region 4000 to 600 cm(-1) separated the EC strains while LDA resulted in a 100% accurate classification of all spectra in the data set. Further, CVA separated intact and heat-killed cells of each EC strain and there was 100% accuracy in the classification of all spectra when LDA was applied. FT-IR spectral wavenumbers 1650 to 1390 cm(-1) were used to separate heat-killed and intact populations of L. monocytogenes. The FT-IR spectroscopy method allowed discrimination between strains that belong to the same EC. FT-IR is a highly discriminatory and reproducible method that can be used for the rapid subtyping of L. monocytogenes, as well as for the detection of live compared with dead populations of the organism. Fourier transform infrared (FT-IR) spectroscopy and multivariate statistical analysis can be used for L. monocytogenes source tracking and for clinical case isolate comparison during epidemiological investigations since the method is capable of differentiating epidemic clones and it uses a library of well-characterized strains. The FT-IR method is potentially less expensive and more rapid compared to genetic subtyping methods, and can be used for L. monocytogenes strain typing by food industries and public health agencies to enable faster response and intervention to listeriosis outbreaks. FT-IR can also be applied for routine monitoring of the pathogen in food processing plants and for investigating postprocessing contamination because it is capable of differentiating heat-killed and viable L. monocytogenes populations. © 2014 Institute of Food Technologists®

Prediction of Cortisol and Progesterone Concentrations in Cow Hair Using Near-Infrared Reflectance Spectroscopy (NIRS).

PubMed

Tallo-Parra, Oriol; Albanell, Elena; Carbajal, Annais; Monclús, Laura; Manteca, Xavier; Lopez-Bejar, Manel

2017-08-01

Concentrations of different steroid hormones have been used in cows as a measure of adrenal or gonadal activity and, thus, as indicators of stress or reproductive state. Detecting cortisol and progesterone in cow hair provides a long-term integrative value of retrospective adrenal or gonadal/placental activity, respectively. Current techniques for steroid detection require a hormone-extraction procedure that involves time, several types of equipment, management of reagents, and some assay procedures (which can also be time-consuming and can destroy the samples). In contrast, near-infrared reflectance spectroscopy (NIRS) is a multi-component predictor technique, characterized as rapid, nondestructive for the sample, and reagent-free. However, as a predictor technique, NIRS needs to be calibrated and validated for each matrix, hormone, and species. The main objective of this study was to evaluate the predictive value of the NIRS technique for hair cortisol and progesterone quantification in cows by using specific enzyme immunoassay as a reference method. Hair samples from 52 adult Friesian lactating cows from a commercial dairy farm were used. Reflectance spectra of hair samples were determined with a NIR reflectance spectrophotometer before and after trimming them. Although similar results were obtained, a slightly better relationship between the reference data and NIRS predicted values was found using trimmed samples. Near infrared reflectance spectroscopy demonstrated its ability to predict cortisol and progesterone concentrations with certain accuracy (R 2  = 0.90 for cortisol and R 2  = 0.87 for progesterone). Although NIRS is far from being a complete alternative to current methodologies, the proposed equations can offer screening capability. Considering the advantages of both fields, our results open the possibility for future work on the combination of hair steroid measurement and NIRS methodology.

Measurement of sugar content of watermelon using near-infrared reflectance spectroscopy in comparison with dielectric property

NASA Astrophysics Data System (ADS)

Tao, Xuemei; Bao, Yidan

2006-09-01

The sugar content of watermelon is important to its taste thus influences the market. It's difficult to know whether the melon is sweet or not for consumers. We tried to develop a convenient meter to determine the sugar of watermelon. The first objective of this paper was to demonstrate the feasibility of using a near-infrared reflectance spectrometer (NIRS) to investigate the relationship between sugar content of watermelon and absorption spectra. The NIRS reflectance of nondestructive watermelon was measured with a Visible/NIR spectrophotometer in 325-1075nm range. The sugar content of watermelon was obtained with a handhold sugar content meter. The second objective was to measure the watermelon's dielectric property, such as dielectric resistance, capacitance, quality factor and dielectric loss. A digital electric bridge instrument was used to get the dielectric property. The experimental results show that they were related to watermelon's sugar content. A comparison between the two methods was made in the paper. The model derived from NIRS reflection is useful for class identification of Zaochun Hongyu watermelon though it's not quite accurate in sweetness prediction (the max. deviation is 0.7). Electric property bears little relation to sugar content of watermelon at this experiment and it couldn't be used as non-destructive inspection method.

A Field Portable Hyperspectral Goniometer for Coastal Characterization

NASA Technical Reports Server (NTRS)

Bachmann, Charles M.; Gray, Deric; Abelev, Andrei; Philpot, William; Fusina, Robert A.; Musser, Joseph A.; Vermillion, Michael; Doctor, Katarina; White, Maurice; Georgiev, Georgi

2012-01-01

During an airborne multi-sensor remote sensing experiment at the Virginia Coast Reserve (VCR) Long Term Ecological Research (LTER) site in June 2011 (VCR '11), first measurements were taken with the new NRL Goniometer for Outdoor Portable Hyperspectral Earth Reflectance (GOPHER). GOPHER measures the angular distribution of hyperspectral reflectance. GOPHER was constructed for NRL by Spectra Vista Corporation (SVC) and the University of Lethbridge through a capital equipment purchase in 2010. The GOPHER spectrometer is an SVC HR -1024, which measures hyperspectral reflectance over the range from 350 -2500 nm, the visible, near infrared, and short-wave infrared. During measurements, the spectrometer travels along a zenith quarter -arc track that can rotate in azimuth, allowing for measurement of the bi-directional reflectance distribution function (BRDF) over the whole hemisphere. The zenith arc has a radius of approximately 2m, and the spectrometer scan pattern can be programmed on the fly during calibration and validation efforts. The spectrometer and zenith arc assembly can be raised and lowered along a mast to allow for measurement of uneven terrain or vegetation canopies of moderate height. Hydraulics on the chassis allow for leveling of the instrument in the field. At just over 400 lbs, GOPHER is a field portable instrument and can be transformed into a compact trailer assembly for movement over long distances in the field.

Combined far infrared RAIRS and XPS studies of TiCl 4 adsorption and reaction on Mg films

NASA Astrophysics Data System (ADS)

Pilling, M. J.; Fonseca, A. Amieiro; Cousins, M. J.; Waugh, K. C.; Surman, M.; Gardner, P.

2005-08-01

In recent years there has been an increase in interest in the study of model Ziegler-Natta catalysts used for the polymerisation of ethene and propene. Particular attention has focused on catalysts consisting of TiCl 4 on activated MgCl 2 accompanied by a co-catalyst, usually triethylaluminium (AlEt 3). As part of a wider project on the characterisation of model Ziegler-Natta catalysts we have investigated the interaction of TiCl 4 with metallic Mg films grown on a Au surface using X-ray photoelectron spectroscopy (XPS) and far infrared reflection absorption infrared spectroscopy. Somewhat surprisingly, the infrared spectra show little variation as a function of exposure to TiCl 4. A very broad asymmetric vibrational band grows in with maximum intensity at 382 cm -1. Three prominent low frequency shoulders are observed at approximately 360, 320, and 260 cm -1. For monolayer coverages of Mg the main band at 382 cm -1 is narrower, less asymmetric and accompanied by a prominent shoulder at 398 cm -1, which increases with increasing exposure to TiCl 4. TiCl 4 exposure in the presence of 5 × 10 -8 Torr of ethyl benzoate results in a change in line shape with low frequency broadening and a small shift in the frequency of the band. These spectra are discussed in the light of the possible constituent species making up the surface layer.

Removal of atmospheric features in near infrared spectra by means of principal component analysis and target transformation on Mars: I. Method

NASA Astrophysics Data System (ADS)

Geminale, A.; Grassi, D.; Altieri, F.; Serventi, G.; Carli, C.; Carrozzo, F. G.; Sgavetti, M.; Orosei, R.; D'Aversa, E.; Bellucci, G.; Frigeri, A.

2015-06-01

The aim of this work is to extract the surface contribution in the martian visible/near-infrared spectra removing the atmospheric components by means of Principal Component Analysis (PCA) and target transformation (TT). The developed technique is suitable for separating spectral components in a data set large enough to enable an effective usage of statistical methods, in support to the more common approaches to remove the gaseous component. In this context, a key role is played by the estimation, from the spectral population, of the covariance matrix that describes the statistical correlation of the signal among different points in the spectrum. As a general rule, the covariance matrix becomes more and more meaningful increasing the size of initial population, justifying therefore the importance of sizable datasets. Data collected by imaging spectrometers, such as the OMEGA (Observatoire pour la Minéralogie, l'Eau, les Glaces et l'Activité) instrument on board the ESA mission Mars Express (MEx), are particularly suitable for this purpose since it includes in the same session of observation a large number of spectra with different content of aerosols, gases and mineralogy. The methodology presented in this work has been first validated using a simulated dataset of spectra to evaluate its accuracy. Then, it has been applied to the analysis of OMEGA sessions over Nili Fossae and Mawrth Vallis regions, which have been already widely studied because of the presence of hydrated minerals. These minerals are key components of the surface to investigate the presence of liquid water flowing on the martian surface in the Noachian period. Moreover, since a correction for the atmospheric aerosols (dust) component is also applied to these observations, the present work is able to completely remove the atmospheric contribution from the analysed spectra. Once the surface reflectance, free from atmospheric contributions, has been obtained, the Modified Gaussian Model (MGM) has been applied to spectra showing the hydrated phase. Silicates and iron-bearing hydrated minerals have been identified by means of the electronic transitions of Fe2+ between 0.8 and 1.2 μm, while at longer wavelengths the hydrated mineralogy is identified by overtones of the OH group. Surface reflectance spectra, as derived through the method discussed in this paper, clearly show a lower level of the atmospheric residuals in the 1.9 hydration band, thus resulting in a better match with the MGM deconvolution parameters found for the laboratory spectra of martian hydrated mineral analogues and allowing a deeper investigation of this spectral range.

AVIRIS spectra correlated with the chlorophyll concentration of a forest canopy

NASA Technical Reports Server (NTRS)

Kupiec, John; Smith, Geoffrey M.; Curran, Paul J.

1993-01-01

Imaging spectrometers have many potential applications in the environmental sciences. One of the more promising applications is that of estimating the biochemical concentrations of key foliar biochemicals in forest canopies. These estimates are based on spectroscopic theory developed in agriculture and could be used to provide the spatial inputs necessary for the modeling of forest ecosystem dynamics and productivity. Several foliar biochemicals are currently under investigation ranging from those with primary absorption features in visible to middle infrared wavelengths (e.g., water, chlorophyll) to those with secondary to tertiary absorption features in this part of the spectrum (e.g., nitrogen, lignin). The foliar chemical of interest in this paper is chlorophyll; this is a photoreceptor and catalyst for the conversion of sunlight into chemical energy and as such plays a vital role in the photochemical synthesis of carbohydrates in plants. The aim of the research reported here was to determine if the chlorophyll concentration of a forest canopy could be correlated with the reflectance spectra recorded by the Airborne Visible/Infrared Imaging Spectrometer (AVIRIS).

Vacancy-Rich Monolayer BiO2-x as a Highly Efficient UV, Visible, and Near-Infrared Responsive Photocatalyst.

PubMed

Li, Jun; Wu, Xiaoyong; Pan, Wenfeng; Zhang, Gaoke; Chen, Hong

2018-01-08

Vacancy-rich layered materials with good electron-transfer property are of great interest. Herein, a full-spectrum responsive vacancy-rich monolayer BiO 2-x has been synthesized. The increased density of states at the conduction band (CB) minimum in the monolayer BiO 2-x is responsible for the enhanced photon response and photo-absorption, which were confirmed by UV/Vis-NIR diffuse reflectance spectra (DRS) and photocurrent measurements. Compared to bulk BiO 2-x , monolayer BiO 2-x has exhibited enhanced photocatalytic performance for rhodamine B and phenol removal under UV, visible, and near-infrared light (NIR) irradiation, which can be attributed to the vacancy V Bi-O ''' as confirmed by the positron annihilation spectra. The presence of V Bi-O ''' defects in monolayer BiO 2-x promoted the separation of electrons and holes. This finding provides an atomic level understanding for developing highly efficient UV, visible, and NIR light responsive photocatalysts. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Measurements of constituents of interest in the photochemistry of the ozone layer using infrared techniques

NASA Technical Reports Server (NTRS)

Murcray, D. G.; Williams, J. W.; Barker, D. B.; Goldman, A.; Bradford, C.; Cook, G.

1978-01-01

Infrared solar spectra and infrared atmospheric emission spectra were obtained from the ground, from aircraft and from balloons. The initial detection of most stratospheric molecules was achieved by the solar spectral technique because better resolution helps remove interference from other molecules. Because the sun is an intense source of radiation, the resolution which can be obtained with good signal-to-noise, is greater than with atmospheric emission spectroscopy. Data are generally taken using a method that enhances the number of molecules in the optical path i.e. at large solar zenith angles for solar spectra and at low elevation angles for atmospheric emission spectra. The search for molecules which are predicted to be present but which, the detection of a molecule known to be present from other measurement techniques but observed for the first time in infrared solar spectra, and some further data on the variability of HNO3 are discussed.

Quantitative reflectance spectroscopy of buddingtonite from the Cuprite mining district, Nevada

NASA Technical Reports Server (NTRS)

Felzer, Benjamin; Hauff, Phoebe; Goetz, Alexander F. H.

1994-01-01

Buddingtonite, an ammonium-bearing feldspar diagnostic of volcanic-hosted alteration, can be identified and, in some cases, quantitatively measured using short-wave infrared (SWIR) reflectance spectroscopy. In this study over 200 samples from Cuprite, Nevada, were evaluated by X ray diffraction, chemical analysis, scanning electron microscopy, and SWIR reflectance spectroscopy with the objective of developing a quantitative remote-sensing technique for rapid determination of the amount of ammonium or buddingtonite present, and its distribution across the site. Based upon the Hapke theory of radiative transfer from particulate surfaces, spectra from quantitative, physical mixtures were compared with computed mixture spectra. We hypothesized that the concentration of ammonium in each sample is related to the size and shape of the ammonium absorption bands and tested this hypothesis for samples of relatively pure buddingtonite. We found that the band depth of the 2.12-micron NH4 feature is linearly related to the NH4 concentration for the Cuprite buddingtonite, and that the relationship is approximately exponential for a larger range of NH4 concentrations. Associated minerals such as smectite and jarosite suppress the depth of the 2.12-micron NH4 absorption band. Quantitative reflectance spectroscopy is possible when the effects of these associated minerals are also considered.

ON THE VIABILITY OF THE PAH MODEL AS AN EXPLANATION OF THE UNIDENTIFIED INFRARED EMISSION FEATURES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Yong; Kwok, Sun, E-mail: zhangy96@hku.hk, E-mail: sunkwok@hku.hk

2015-01-01

Polycyclic aromatic hydrocarbon (PAH) molecules are widely considered the preferred candidate for the carrier of the unidentified infrared emission bands observed in the interstellar medium and circumstellar envelopes. In this paper, we report the results of fitting a variety of non-PAH spectra (silicates, hydrogenated amorphous carbon, coal, and even artificial spectra) using the theoretical infrared spectra of PAHs from the NASA Ames PAH IR Spectroscopic Database. We show that these non-PAH spectra can be well fitted by PAH mixtures. This suggests that a general match between astronomical spectra and those of PAH mixtures does not necessarily provide definitive support formore » the PAH hypothesis.« less

Space Weathering: Laboratory Analyses and In-Situ Instrumentation

NASA Technical Reports Server (NTRS)

Bentley, M. S.; Ball, A. J.; Dyar, M. D.; Pieters, C. M.; Wright, I. P.; Zarnecki, J. C.

2005-01-01

Space weathering is now understood to be a key modifier of visible and near infrared reflectance spectra of airless bodies. Believed to be caused by vapour recondensation after either ion sputtering or impact vaporization, space weathering has been successfully simulated in the laboratory over the past few years. The optical changes caused by space weathering have been attributed to the accumulation of sub-microscopic iron on regolith grain surfaces. Such fine-grained metallic iron has distinctive magnetic properties that can be used to study it.

Improving the prediction of arsenic contents in agricultural soils by combining the reflectance spectroscopy of soils and rice plants

NASA Astrophysics Data System (ADS)

Shi, Tiezhu; Wang, Junjie; Chen, Yiyun; Wu, Guofeng

2016-10-01

Visible and near-infrared reflectance spectroscopy provides a beneficial tool for investigating soil heavy metal contamination. This study aimed to investigate mechanisms of soil arsenic prediction using laboratory based soil and leaf spectra, compare the prediction of arsenic content using soil spectra with that using rice plant spectra, and determine whether the combination of both could improve the prediction of soil arsenic content. A total of 100 samples were collected and the reflectance spectra of soils and rice plants were measured using a FieldSpec3 portable spectroradiometer (350-2500 nm). After eliminating spectral outliers, the reflectance spectra were divided into calibration (n = 62) and validation (n = 32) data sets using the Kennard-Stone algorithm. Genetic algorithm (GA) was used to select useful spectral variables for soil arsenic prediction. Thereafter, the GA-selected spectral variables of the soil and leaf spectra were individually and jointly employed to calibrate the partial least squares regression (PLSR) models using the calibration data set. The regression models were validated and compared using independent validation data set. Furthermore, the correlation coefficients of soil arsenic against soil organic matter, leaf arsenic and leaf chlorophyll were calculated, and the important wavelengths for PLSR modeling were extracted. Results showed that arsenic prediction using the leaf spectra (coefficient of determination in validation, Rv2 = 0.54; root mean square error in validation, RMSEv = 12.99 mg kg-1; and residual prediction deviation in validation, RPDv = 1.35) was slightly better than using the soil spectra (Rv2 = 0.42, RMSEv = 13.35 mg kg-1, and RPDv = 1.31). However, results also showed that the combinational use of soil and leaf spectra resulted in higher arsenic prediction (Rv2 = 0.63, RMSEv = 11.94 mg kg-1, RPDv = 1.47) compared with either soil or leaf spectra alone. Soil spectral bands near 480, 600, 670, 810, 1980, 2050 and 2290 nm, leaf spectral bands near 700, 890 and 900 nm in PLSR models were important wavelengths for soil arsenic prediction. Moreover, soil arsenic showed significantly positive correlations with soil organic matter (r = 0.62, p < 0.01) and leaf arsenic (r = 0.77, p < 0.01), and a significantly negative correlation with leaf chlorophyll (r = -0.67, p < 0.01). The results showed that the prediction of arsenic contents using soil and leaf spectra may be based on their relationships with soil organic matter and leaf chlorophyll contents, respectively. Although RPD of 1.47 was below the recommended RPD of >2 for soil analysis, arsenic prediction in agricultural soils can be improved by combining the leaf and soil spectra.

Spectral variability of deciduous leaves depending on the developmental stages and tree condition

NASA Astrophysics Data System (ADS)

Song, Y.; Ryu, Y.

2013-12-01

Foliar spectral characteristics could be the key information in modeling forest ecosystem and the remote sensing of vegetation identification. But it is not easy to determine a typical leaf spectrum of a species in a standardized state. That is because of variables critically influencing on the spectral property of leaves, such as inter- and intra-species features, phenological phase, or biotic and abiotic stress. In this study, we attempted to quantify the spectral variability of leaves depending on species, developmental stages, and the condition of trees. The contribution of these factors to the spectral variation was analyzed at the single leaf level, with a large number of samples from deciduous plants in the urban forested area. First, we collected tens of leaf-samples at every biweekly fieldwork in the growing season, for the selected 5 tree species popular in urban parks; Acer palmatum, Carpinus laxiflora, Prunus yedoensis, Quercus acutissima, and Zelkova serrata. And absorbance, reflectance and transmittance spectra of the leaves were acquired at the short-visible (400-700 nm) to infrared (700-2500 nm) spectral region with 1 nm interval. Seasonality in these leaf-spectra was used to understand the inter-species variation depending on developmental stages. Second, as a benchmark for testing intra-species variability and differences by tree condition, we additionally analyzed the spectral reflectance of 504 ripe leaves from 56 cherry trees (Cerasus × yedoensis) collected in the middle of summer. Last, using ANOVA (analysis of variance) and general linear model, we assessed the influence of our tested variables (i.e., species, developmental stage, and tree condition) on the spectral characteristics and their vegetation indices. As a result, we clarified that the changes in leaf-spectra was apparent across all the tested species during the growing season from May to June, indicating the increasing trend of absorbance in photosynthetically active radiation region (400 to 700 nm; PAR) and reflectance in the near infrared region (700 to 1300 nm; NIR). Inter-species variability still appeared substantial and those inherit spectral characteristics was difficult to be described in a single universal vegetation index. The reflectance values of leaves were significantly differed in good and poor tree condition, which could be the other important consideration in the representative scheme of leaf sampling. More discussions will be present about the effect of species, developmental stage, and tree condition to the leaf-spectra and the published vegetation indices.

Component Analysis and Identification of Black Tahitian Cultured Pearls From the Oyster Pinctada margaritifera Using Spectroscopic Techniques

NASA Astrophysics Data System (ADS)

Shi, L.; Wang, Y.; Liu, X.; Mao, J.

2018-03-01

Raman spectroscopy, ultraviolet, visible, and near infrared (UV-Vis-NIR) reflectance spectroscopy, and X-ray fluorescence (XRF) spectroscopy were used to characterize black Tahitian cultured pearls and imitations of these saltwater cultured pearls produced by γ-irradiation, and by coloring of cultured pearls with silver nitrate or organic dyes. Raman spectra indicated that aragonite was the major constituent of these four types of pearl. Using Raman spectroscopy at an excitation wavelength of 514 nm, black Tahitian cultured pearls exhibited characteristic 1100-1700 cm-1 bands. These bands were attributed to various organic components, including conchiolin and other black biological pigments. The peaks shown by saltwater cultured pearls colored with organic dyes varied with the type of dye used. Tahitian cultured and organic-dye-treated saltwater cultured pearls were easily identified by Raman spectroscopy. UV-Vis-NIR reflectance spectra showed bands at 408, 497, and 700 nm derived from porphyrin pigment and other black pigments. The spectra of dye-treated black saltwater pearls showed absorption peaks at 216, 261, 300, and 578 nm. The 261-nm absorption band disappeared from the spectra of γ-irradiated saltwater cultured pearls. This suggests the degradation of conchiolin in the γ-irradiated saltwater cultured pearls. XRF analysis revealed the presence of Ag on the surface of silver nitrate-dyed saltwater cultured pearls.

Study on rapid valid acidity evaluation of apple by fiber optic diffuse reflectance technique

NASA Astrophysics Data System (ADS)

Liu, Yande; Ying, Yibin; Fu, Xiaping; Jiang, Xuesong

2004-03-01

Some issues related to nondestructive evaluation of valid acidity in intact apples by means of Fourier transform near infrared (FTNIR) (800-2631nm) method were addressed. A relationship was established between the diffuse reflectance spectra recorded with a bifurcated optic fiber and the valid acidity. The data were analyzed by multivariate calibration analysis such as partial least squares (PLS) analysis and principal component regression (PCR) technique. A total of 120 Fuji apples were tested and 80 of them were used to form a calibration data set. The influence of data preprocessing and different spectra treatments were also investigated. Models based on smoothing spectra were slightly worse than models based on derivative spectra and the best result was obtained when the segment length was 5 and the gap size was 10. Depending on data preprocessing and multivariate calibration technique, the best prediction model had a correlation efficient (0.871), a low RMSEP (0.0677), a low RMSEC (0.056) and a small difference between RMSEP and RMSEC by PLS analysis. The results point out the feasibility of FTNIR spectral analysis to predict the fruit valid acidity non-destructively. The ratio of data standard deviation to the root mean square error of prediction (SDR) is better to be less than 3 in calibration models, however, the results cannot meet the demand of actual application. Therefore, further study is required for better calibration and prediction.

Wavelet theory applied to the study of spectra of trans-Neptunian objects

NASA Astrophysics Data System (ADS)

Souza-Feliciano, A. C.; Alvarez-Candal, A.; Jiménez-Teja, Y.

2018-06-01

Context. Reflection spectroscopy in the near-infrared (NIR) is used to investigate the surface composition of trans-Neptunian objects (TNOs). In general, these spectra are difficult to interpret due to the low apparent brightness of the TNOs, causing low signal-to-noise ratio even in spectra obtained with the largest telescopes available on Earth, making it necessary to use filtering techniques to analyze and interpret them. Aims: The purpose of this paper is to present a methodology to analyze the spectra of TNOs. Specifically, our aim was to filter these spectra in the best possible way: maximizing noise removal, while minimizing the loss of signal. Methods: We used wavelets to filter the spectra. Wavelets are a mathematical tool that decompose the signal into its constituent parts, allowing us to analyze the data in different areas of frequencies with the resolution of each component tied to its scale. To check the reliability of our method, we compared the filtered spectra with the spectra of water and methanol ices to identify some common structures between them. Results: Of the 50 TNOs in our sample, we identify traces of water ices and methanol in the spectra of several of them, some with previous reports, while for other objects there were no previous reports. Conclusions: We conclude that the wavelet technique is successful in filtering spectra of TNOs.

Identification of oil residues in Roman amphorae (Monte Testaccio, Rome): a comparative FTIR spectroscopic study of archeological and artificially aged samples.

PubMed

Tarquini, Gabriele; Nunziante Cesaro, Stella; Campanella, Luigi

2014-01-01

The application of Fourier Transform InfraRed (FTIR) spectroscopy to the analysis of oil residues in fragments of archeological amphorae (3rd century A.D.) from Monte Testaccio (Rome, Italy) is reported. In order to check the possibility to reveal the presence of oil residues in archeological pottery using microinvasive and\\or not invasive techniques, different approaches have been followed: firstly, FTIR spectroscopy was used to study oil residues extracted from roman amphorae. Secondly, the presence of oil residues was ascertained analyzing microamounts of archeological fragments with the Diffuse Reflectance Infrared Spectroscopy (DRIFT). Finally, the external reflection analysis of the ancient shards was performed without preliminary treatments evidencing the possibility to detect oil traces through the observation of the most intense features of its spectrum. Incidentally, the existence of carboxylate salts of fatty acids was also observed in DRIFT and Reflectance spectra of archeological samples supporting the roman habit of spreading lime over the spoil heaps. The data collected in all steps were always compared with results obtained on purposely made replicas. © 2013 Elsevier B.V. All rights reserved.

Low reflection and field localization over surface plasmon device with subwavelength patterned aluminum film

NASA Astrophysics Data System (ADS)

Yuan, Ying; Peng, Sha; Long, Huabao; Liu, Runhan; Wei, Dong; Zhang, Xinyu; Wang, Haiwei; Xie, Changsheng

2018-02-01

In this paper, we propose a new device composed of patterned sub-wavelength arrays to investigate surface plasmons (SPs) over sub-wavelength metal nano-structures. The device consists of silicon substrate and sub-wavelength patterns fabricated on a layer of aluminum film with nanometer thickness. Each sub-wavelength pattern formed in aluminum film is composed of a basic nano-square and twelve triangles for shaping single nano-pattern, which are uniformly distributed on the four sides of each square. Reflectance spectra and electric field distribution in infrared region are simulated. Numerical simulation results demonstrate that the device can efficiently lower its reflectance in infrared spectrum, and the response frequency can be controlled by only changing the device parameters such as square side length and then triangle vertex angle. Besides, the simulated electric field distribution of the device shows obviously field localization effect at the edges of aluminum film nano-structure. The electric filed around the tips of aluminum triangles is localized into sub-wavelength scale, so as to be beyond the common diffraction limitation. Our work will help to reveal the interesting properties of SPs device, and also bring new prospect of photonic device.

Correlation of infrared reflectance ratios at 2.3 microns/1.6 micron and 1.1 micron/1.6 micron with delta O-18 values delineating fossil hydrothermal systems in the Idaho batholith

NASA Technical Reports Server (NTRS)

Gillespie, A. R.; Criss, R. E.

1983-01-01

Reflectance ratios from laboratory spectra and airborne multispectral images are found to be strongly correlated with delta O-18 values of granite rocks in the Idaho batholith. The correlation is largely a result of interactions between hot water and rock, which lowered the delta O-18 values of the rocks and produced secondary hydrous material. Maps of the ratio of reflectivities at 2.3 and 1.6 microns should delineate fossil hydrothermal systems and provide estimates of alteration intensity. However, hydrous minerals produced during deuteric alteration or weathering cannot be unambiguously distinguished in remotely sensed images from the products of propylitic alteration without the use of narrow-band scanners. The reflectivity at 1.6 micron is strongly correlated with rock density and may be useful in distinguishing rock types in granitic terranes.

[Measurement and analysis on complex refraction indices of pear pollen in infrared band].

PubMed

Li, Le; Hu, Yi-hua; Gu, You-lin; Chen, Wei; Zhao, Yi-zheng; Chen, Shan-jing

2015-01-01

Pollen is an important part of bioaerosols, and its complex refractive index is a crucial parameter for study on optical characteristics and detection, identification of bioaerosols. The reflection spectra of pear pollen within the 2. 5 - 15µm waveband were measured by squash method. Based on the measured data, the complex refractive index of pear pollen within the wave-band of 2. 5 to 15 µm was calculated by using Kramers-Kroning (K-K) relation, and calculation deviation about incident angle and different reflectivities at high and low frequencies.were analyzed. The results indicate that 18 degrees angle of incidence and different reflectivities at high and low frequencies have little effect on the results, and it is practicable to calculate the complex refractive index of pollen based on its reflection spectral data. The data of complex refractive index of pollen have some reference value for optical characteristics of pollen, detection and identification of bioaerosols.

Detection of Lettuce Discoloration Using Hyperspectral Reflectance Imaging

PubMed Central

Mo, Changyeun; Kim, Giyoung; Lim, Jongguk; Kim, Moon S.; Cho, Hyunjeong; Cho, Byoung-Kwan

2015-01-01

Rapid visible/near-infrared (VNIR) hyperspectral imaging methods, employing both a single waveband algorithm and multi-spectral algorithms, were developed in order to discrimination between sound and discolored lettuce. Reflectance spectra for sound and discolored lettuce surfaces were extracted from hyperspectral reflectance images obtained in the 400–1000 nm wavelength range. The optimal wavebands for discriminating between discolored and sound lettuce surfaces were determined using one-way analysis of variance. Multi-spectral imaging algorithms developed using ratio and subtraction functions resulted in enhanced classification accuracy of above 99.9% for discolored and sound areas on both adaxial and abaxial lettuce surfaces. Ratio imaging (RI) and subtraction imaging (SI) algorithms at wavelengths of 552/701 nm and 557–701 nm, respectively, exhibited better classification performances compared to results obtained for all possible two-waveband combinations. These results suggest that hyperspectral reflectance imaging techniques can potentially be used to discriminate between discolored and sound fresh-cut lettuce. PMID:26610510

Detection of Lettuce Discoloration Using Hyperspectral Reflectance Imaging.

PubMed

Mo, Changyeun; Kim, Giyoung; Lim, Jongguk; Kim, Moon S; Cho, Hyunjeong; Cho, Byoung-Kwan

2015-11-20

Rapid visible/near-infrared (VNIR) hyperspectral imaging methods, employing both a single waveband algorithm and multi-spectral algorithms, were developed in order to discrimination between sound and discolored lettuce. Reflectance spectra for sound and discolored lettuce surfaces were extracted from hyperspectral reflectance images obtained in the 400-1000 nm wavelength range. The optimal wavebands for discriminating between discolored and sound lettuce surfaces were determined using one-way analysis of variance. Multi-spectral imaging algorithms developed using ratio and subtraction functions resulted in enhanced classification accuracy of above 99.9% for discolored and sound areas on both adaxial and abaxial lettuce surfaces. Ratio imaging (RI) and subtraction imaging (SI) algorithms at wavelengths of 552/701 nm and 557-701 nm, respectively, exhibited better classification performances compared to results obtained for all possible two-waveband combinations. These results suggest that hyperspectral reflectance imaging techniques can potentially be used to discriminate between discolored and sound fresh-cut lettuce.

Three dimensional metafilms with dual channel unit cells

DOE PAGES

Burckel, D. Bruce; Campione, Salvatore; Davids, Paul S.; ...

2017-04-04

Three-dimensional (3D) metafilms composed of periodic arrays of silicon unit cells containing single and multiple micrometer-scale vertical split ring resonators (SRRs) per unit cell were fabricated. In contrast to planar and stacked planar structures, these 3D metafilms have a thickness t ~λ d/4, allowing for classical thin film effects in the long wavelength limit. The infrared specular far-field scattering response was measured for metafilms containing one and two resonators per unit cell and compared to numerical simulations. Excellent agreement in the frequency region below the onset of diffractive scattering was obtained. For dense arrays of unit cells containing single SRRs,more » normally incident linearly polarized plane waves which do not excite a resonant response result in thin film interference fringes in the reflected spectra and are virtually indistinguishable from the scattering response of an undecorated array of unit cells. For the resonant linear polarization, the specular reflection for arrays is highly dependent on the SRR orientation on the vertical face for gap-up, gap-down, and gap-right orientations. For dense arrays of unit cells containing two SRRs per unit cell positioned on adjacent faces, the specular reflection spectra are slightly modified due to near-field coupling between the orthogonally oriented SRRs but otherwise exhibit reflection spectra largely representative of the corresponding single-SRR unit cell structures. Lastly, the ability to pack the unit cell with multiple inclusions which can be independently excited by choice of incident polarization suggests the construction of dual-channel films where the scattering response is selected by altering the incident polarization.« less

Multispectral Microimager for Astrobiology

NASA Technical Reports Server (NTRS)

Sellar, R. Glenn; Farmer, Jack D.; Kieta, Andrew; Huang, Julie

2006-01-01

A primary goal of the astrobiology program is the search for fossil records. The astrobiology exploration strategy calls for the location and return of samples indicative of environments conducive to life, and that best capture and preserve biomarkers. Successfully returning samples from environments conducive to life requires two primary capabilities: (1) in situ mapping of the mineralogy in order to determine whether the desired minerals are present; and (2) nondestructive screening of samples for additional in-situ testing and/or selection for return to laboratories for more in-depth examination. Two of the most powerful identification techniques are micro-imaging and visible/infrared spectroscopy. The design and test results are presented from a compact rugged instrument that combines micro-imaging and spectroscopic capability to provide in-situ analysis, mapping, and sample screening capabilities. Accurate reflectance spectra should be a measure of reflectance as a function of wavelength only. Other compact multispectral microimagers use separate LEDs (light-emitting diodes) for each wavelength and therefore vary the angles of illumination when changing wavelengths. When observing a specularly-reflecting sample, this produces grossly inaccurate spectra due to the variation in the angle of illumination. An advanced design and test results are presented for a multispectral microimager which demonstrates two key advances relative to previous LED-based microimagers: (i) acquisition of actual reflectance spectra in which the flux is a function of wavelength only, rather than a function of both wavelength and illumination geometry; and (ii) increase in the number of spectral bands to eight bands covering a spectral range of 468 to 975 nm.

Spectral decomposition of AVIRIS data

NASA Technical Reports Server (NTRS)

Gaddis, Lisa; Soderblom, Laurence; Kieffer, Hugh; Becker, Kris; Torson, Jim; Mullins, Kevin

1993-01-01

A set of techniques is presented that uses only information contained within a raw Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) scene to estimate and to remove additive components such as multiple scattering and instrument dark current. Multiplicative components (instrument gain, topographic modulation of brightness, atmospheric transmission) can then be normalized, permitting enhancement, extraction, and identification of relative reflectance information related to surface composition and mineralogy. The technique for derivation of additive-component spectra from a raw AVIRIS scene is an adaption of the 'regression intersection method' of Crippen. This method uses two surface units that are spatially extensive, and located in rugged terrain. For a given wavelength pair, subtraction of the derived additive component from individual band values will remove topography in both regions in a band/band ratio image. Normalization of all spectra in the scene to the average scene spectrum then results in cancellation of multiplicative components and production of a relative-reflectance scene. The resulting AVIRIS product contains relative-reflectance features due to mineral absorption that depart from the average spectrum. These features commonly are extremely weak and difficult to recognize, but they can be enhanced by using two simple 3-D image-processing tools. The validity of these techniques will be demonstrated by comparisons between relative-reflectance AVIRIS spectra and those derived by using JPL standard calibrations. The AVIRIS data used in this analysis were acquired over the Kelso Dunes area (34 deg 55' N, 115 deg 43' W) of the eastern Mojave Desert, CA (in 1987) and the Upheaval Dome area (38 deg 27' N, 109 deg 55' W) of the Canyonlands National Park, UT (in 1991).

Multivariate classification of infrared spectra of cell and tissue samples

DOEpatents

Haaland, David M.; Jones, Howland D. T.; Thomas, Edward V.

1997-01-01

Multivariate classification techniques are applied to spectra from cell and tissue samples irradiated with infrared radiation to determine if the samples are normal or abnormal (cancerous). Mid and near infrared radiation can be used for in vivo and in vitro classifications using at least different wavelengths.

NIR DLP hyperspectral imaging system for medical applications

NASA Astrophysics Data System (ADS)

Wehner, Eleanor; Thapa, Abhas; Livingston, Edward; Zuzak, Karel

2011-03-01

DLP® hyperspectral reflectance imaging in the visible range has been previously shown to quantify hemoglobin oxygenation in subsurface tissues, 1 mm to 2 mm deep. Extending the spectral range into the near infrared reflects biochemical information from deeper subsurface tissues. Unlike any other illumination method, the digital micro-mirror device, DMD, chip is programmable, allowing the user to actively illuminate with precisely predetermined spectra of illumination with a minimum bandpass of approximately 10 nm. It is possible to construct active spectral-based illumination that includes but is not limited to containing sharp cutoffs to act as filters or forming complex spectra, varying the intensity of light at discrete wavelengths. We have characterized and tested a pure NIR, 760 nm to 1600 nm, DLP hyperspectral reflectance imaging system. In its simplest application, the NIR system can be used to quantify the percentage of water in a subject, enabling edema visualization. It can also be used to map vein structure in a patient in real time. During gall bladder surgery, this system could be invaluable in imaging bile through fatty tissue, aiding surgeons in locating the common bile duct in real time without injecting any contrast agents.

Application of Principal Component Analysis to NIR Spectra of Phyllosilicates: A Technique for Identifying Phyllosilicates on Mars

NASA Technical Reports Server (NTRS)

Rampe, E. B.; Lanza, N. L.

2012-01-01

Orbital near-infrared (NIR) reflectance spectra of the martian surface from the OMEGA and CRISM instruments have identified a variety of phyllosilicates in Noachian terrains. The types of phyllosilicates present on Mars have important implications for the aqueous environments in which they formed, and, thus, for recognizing locales that may have been habitable. Current identifications of phyllosilicates from martian NIR data are based on the positions of spectral absorptions relative to laboratory data of well-characterized samples and from spectral ratios; however, some phyllosilicates can be difficult to distinguish from one another with these methods (i.e. illite vs. muscovite). Here we employ a multivariate statistical technique, principal component analysis (PCA), to differentiate between spectrally similar phyllosilicate minerals. PCA is commonly used in a variety of industries (pharmaceutical, agricultural, viticultural) to discriminate between samples. Previous work using PCA to analyze raw NIR reflectance data from mineral mixtures has shown that this is a viable technique for identifying mineral types, abundances, and particle sizes. Here, we evaluate PCA of second-derivative NIR reflectance data as a method for classifying phyllosilicates and test whether this method can be used to identify phyllosilicates on Mars.

Analysis of total oil and fatty acids composition by near infrared reflectance spectroscopy in edible nuts

NASA Astrophysics Data System (ADS)

Kandala, Chari V.; Sundaram, Jaya

2014-10-01

Near Infrared (NIR) Reflectance spectroscopy has established itself as an important tool in quantifying water and oil present in various food materials. It is rapid and nondestructive, easier to use, and does not require processing the samples with corrosive chemicals that would render them non-edible. Earlier, the samples had to be ground into powder form before making any measurements. With the development of new soft ware packages, NIR techniques could now be used in the analysis of intact grain and nuts. While most of the commercial instruments presently available work well with small grain size materials such as wheat and corn, the method present here is suitable for large kernel size products such as shelled or in-shell peanuts. Absorbance spectra were collected from 400 nm to 2500 nm using a NIR instrument. Average values of total oil contents (TOC) of peanut samples were determined by standard extraction methods, and fatty acids were determined using gas chromatography. Partial least square (PLS) analysis was performed on the calibration set of absorption spectra, and models were developed for prediction of total oil and fatty acids. The best model was selected based on the coefficient of determination (R2), Standard error of prediction (SEP) and residual percent deviation (RPD) values. Peanut samples analyzed showed RPD values greater than 5.0 for both absorbance and reflectance models and thus could be used for quality control and analysis. Ability to rapidly and nondestructively measure the TOC, and analyze the fatty acid composition, will be immensely useful in peanut varietal improvement as well as in the grading process of grain and nuts.

Pinus taeda L. wood property calibrations based on variable numbers of near infrared spectra per core and cores per plantation

Treesearch

Laurence R. Schimleck; Justin A. Tyson; David Jones; Gary F. Peter; Richard F. Daniels; Alexander III Clark

2007-01-01

Near infrared (NIR) spectroscopy provides a rapid, non-destructive method for the estimation of several wood properties of increment cores. MR spectra are collected from adjacent sections of the same core; however, not all spectra are required for calibration purposes as spectra from the same core are autocorrelated. Previously, we showed that wood property...

Laboratory Reference Spectroscopy of Icy Satellite Candidate Surface Materials (Invited)

NASA Astrophysics Data System (ADS)

Dalton, J. B.; Jamieson, C. S.; Shirley, J. H.; Pitman, K. M.; Kariya, M.; Crandall, P.

2013-12-01

The bulk of our knowledge of icy satellite composition continues to be derived from ultraviolet, visible and infrared remote sensing observations. Interpretation of remote sensing observations relies on availability of laboratory reference spectra of candidate surface materials. These are compared directly to observations, or incorporated into models to generate synthetic spectra representing mixtures of the candidate materials. Spectral measurements for the study of icy satellites must be taken under appropriate conditions (cf. Dalton, 2010; also http://mos.seti.org/icyworldspectra.html for a database of compounds) of temperature (typically 50 to 150 K), pressure (from 10-9 to 10-3 Torr), viewing geometry, (i.e., reflectance), and optical depth (must manifest near infrared bands but avoid saturation in the mid-infrared fundamentals). The Planetary Ice Characterization Laboratory (PICL) is being developed at JPL to provide robust reference spectra for icy satellite surface materials. These include sulfate hydrates, hydrated and hydroxylated minerals, and both organic and inorganic volatile ices. Spectral measurements are performed using an Analytical Spectral Devices FR3 portable grating spectrometer from .35 to 2.5 microns, and a Thermo-Nicolet 6500 Fourier-Transform InfraRed (FTIR) spectrometer from 1.25 to 20 microns. These are interfaced with the Basic Extraterrestrial Environment Simulation Testbed (BEEST), a vacuum chamber capable of pressures below 10-9 Torr with a closed loop liquid helium cryostat with custom heating element capable of temperatures from 30-800 Kelvins. To generate optical constants (real and imaginary index of refraction) for use in nonlinear mixing models (i.e., Hapke, 1981 and Shkuratov, 1999), samples are ground and sieved to six different size fractions or deposited at varying rates to provide a range of grain sizes for optical constants calculations based on subtractive Kramers-Kronig combined with Hapke forward modeling (Dalton and Pitman, 2012). We will report on recent results, including spectra of sulfate hydrates, simple organic molecules, and volatile ices measured at PICL in support of past, present and planned missions. We gratefully acknowledge the support of JPL's Research and Technology Development and Strategic Hire Programs, and of the NASA Outer Planets Research and Planetary Geology and Geophysics programs. Dalton, III, J.B., Spectroscopy of icy moon surface materials, Space Sci. Rev. 153:219-247, 2010. Dalton, III, J.B., and Pitman, K.M., Low temperature optical constants of some hydrated sulfates relevant to planetary surfaces, J. Geophys. Res. 117:E09001, doi:10.1029/2011JE004036, 2012. Hapke, B.W., Bidirectional reflectance spectroscopy I. Theory, J. Geophys. Res. 86, 3039-3054, 1981. Shkuratov, Y., L. Starukhina, H. Hoffmann, and G. Arnold, A model of spectral albedo of particulate surfaces: Implications for optical properties of the Moon, Icarus 137, 235-246, 1999.

Infrared and Raman Spectra of Magnesium Ammonium Phosphate Hexahydrate (Struvite) and its Isomorphous Analogues. VIII. Spectra of Protiated and Partially Deuterated Magnesium Rubidium Phosphate Hexahydrate and Magnesium Thallium Phosphate Hexahydrate.

PubMed

Soptrajanov, Bojan; Cahil, Adnan; Najdoski, Metodija; Koleva, Violeta; Stefov, Viktor

2011-09-01

The infrared and Raman spectra of magnesium rubidium phosphate hexahydrate MgRbPO4 • 6H2O and magnesium thallium phosphate hexahydrate, MgTlPO4 • 6H2O were recorded at room temperature (RT) and the boiling temperature of liquid nitrogen (LNT). To facilitate their analysis, also recorded were the spectra of partially deuterated analogues with varying content of deuterium. The effects of deuteration and those of lowering the temperature were the basis of the conclusions drawn regarding the origin of the observed bands which were assigned to vibrations which are predominantly localized in the water molecules (four crystallographically different types of such molecules exist in the structures) and those with PO43- character. It was concluded that in some cases coupling of phosphate and water vibrations is likely to take place. The appearance of the infrared spectra in the O-H stretching regions of the infrared spectra is explained as being the result of an extensive overlap of bands due to components of the fundamental stretching modes of the H2O units with a possible participation of bands due to second-order transitions. A broad band reminiscent of the B band of the well-known ABC trio characteristic of spectra of substances containing strong hydrogen bonds in their structure was found around 2400 cm-1 in the infrared spectra of the two studied compounds.

Influence of temperature on water and aqueous glucose absorption spectra in the near- and mid-infrared regions at physiologically relevant temperatures.

PubMed

Jensen, Peter Snoer; Bak, Jimmy; Andersson-Engels, Stefan

2003-01-01

Near- and mid-infrared absorption spectra of pure water and aqueous 1.0 g/dL glucose solutions in the wavenumber range 8000-950 cm-1 were measured in the temperature range 30-42 degrees C in steps of 2 degrees C. Measurements were carried out with an FT-IR spectrometer and a variable pathlength transmission cell controlled within 0.02 degree C. Pathlengths of 50 microns and 0.4 mm were used in the mid- and near-infrared spectral region, respectively. Difference spectra were used to determine the effect of temperature on the water spectra quantitatively. These spectra were obtained by subtracting the 37 degrees C water spectrum from the spectra measured at other temperatures. The difference spectra reveal that the effect of temperature is highest in the vicinity of the strong absorption bands, with a number of isosbestic points with no temperature dependence and relatively flat plateaus in between. On the basis of these spectra, prospects for and limitations on data analysis for infrared diagnostic methods are discussed. As an example, the absorptive properties of glucose were studied in the same temperature range in order to determine the effect of temperature on the spectral shape of glucose. The change in water absorption associated with the addition of glucose has also been studied. An estimate of these effects is given and is related to the expected level of infrared signals from glucose in humans.

Reflectance Spectra Diversity of Silica-Rich Materials: Sensitivity to Environment and Implications for Detections on Mars

NASA Technical Reports Server (NTRS)

Rice, M. S.; Cloutis, E. A.; Bell, J. F., III; Bish, D. L.; Horgan, B. H.; Mertzman, S. A.; Craig, M. A.; Renault, R. W.; Gautason, B.; Mountain, B.

2013-01-01

Hydrated silica-rich materials have recently been discovered on the surface of Mars by the Mars Exploration Rover (MER) Spirit, the Mars Reconnaissance Orbiter (MRO) Compact Reconnaissance Imaging Spectrometer for Mars (CRISM), and the Mars Express Observatoire pour la Mineralogie, l'Eau, les Glaces, et l'Activite'(OMEGA) in several locations. Having been interpreted as hydrothermal deposits and aqueous alteration products, these materials have important implications for the history of water on the martian surface. Spectral detections of these materials in visible to near infrared (Vis NIR) wavelengths have been based on a H2O absorption feature in the 934-1009 nm region seen with Spirit s Pancam instrument, and on SiOH absorption features in the 2.21-2.26 micron range seen with CRISM. Our work aims to determine how the spectral reflectance properties of silica-rich materials in Vis NIR wavelengths vary as a function of environmental conditions and formation. Here we present laboratory reflectance spectra of a diverse suite of silica-rich materials (chert, opal, quartz, natural sinters and synthetic silica) under a range of grain sizes and temperature, pressure, and humidity conditions. We find that the H2O content and form of H2O/OH present in silica-rich materials can have significant effects on their Vis NIR spectra. Our main findings are that the position of the approx.1.4 microns OH feature and the symmetry of the approx.1.9 microns feature can be used to discern between various forms of silica-rich materials, and that the ratio of the approx.2.2 microns (SiOH) and approx.1.9 microns (H2O) band depths can aid in distinguishing between silica phases (opal-A vs. opal-CT) and formation conditions (low vs. high temperature). In a case study of hydrated silica outcrops in Valles Marineris, we show that careful application of a modified version of these spectral parameters to orbital near-infrared spectra (e.g., from CRISM and OMEGA) can aid in characterizing the compositional diversity of silica-bearing deposits on Mars. We also discuss how these results can aid in the interpretation of silica detections on Mars made by the MER Panoramic Camera (Pancam) and Mars Science Laboratory (MSL) Mast-mounted Camera (Mastcam) instruments.

Applications of fourier transform infrared spectroscopy to surface analysis problems 2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Powell, G.L.; Milosevic, M.

Applications of infrared spectroscopy to surface analysis are described in terms of the combined use of a number of techniques to solve specific surface analysis problems involving both qualitative and quantitative analysis of surface species. Emphasis is placed on the characterization of both the substrate and the surface species and the application of this to the monitoring of surface processes and the inspection of manufactured items. Lithium Hydride has been studied using remote analysis by diffuse reflectance in glove boxes containing very pure argon or controlled moisture levels with robot-operated gravimetric monitoring. These experiments are supported by internal reflectance andmore » diffuse reflectance measurements in spectrometer sample compartments to characterize the reactants. Beryllium oxide has been studied using an evacuable diffuse reflectance cell to determine the effects of vacuum baking reexposure to moisture on the surface hydroxyl species. Diffuse reflectance and emission measurements have been used to monitor the curing and reaction of environmental gases with composite materials such as graphite-expoxy structures. A direct comparison of diffuse reflectance and emission spectra was done using a barrel ellipsoid diffuse reflectance/emission detector and Spectropus optical transfer system. Grazing-incidence external-reflectance with p-polarized light was used to study the oxidation in room air of polished uranium coupons. The absorption band at 570 cm{sup {minus}1} was used to monitor the extent of oxidation with a resolution of approximately one monolayer of UO{sub 2} and to distinguish the parabolic, linear, and breakaway corrosion domains. External reflectance is compared with diffuse reflectance as a method for stain analysis and for measuring the effects of H{sub 2}O in UO{sub 2} corrosion films.« less

Applications of fourier transform infrared spectroscopy to surface analysis problems 2. Revision 1

DOE Office of Scientific and Technical Information (OSTI.GOV)

Powell, G.L.; Milosevic, M.

Applications of infrared spectroscopy to surface analysis are described in terms of the combined use of a number of techniques to solve specific surface analysis problems involving both qualitative and quantitative analysis of surface species. Emphasis is placed on the characterization of both the substrate and the surface species and the application of this to the monitoring of surface processes and the inspection of manufactured items. Lithium Hydride has been studied using remote analysis by diffuse reflectance in glove boxes containing very pure argon or controlled moisture levels with robot-operated gravimetric monitoring. These experiments are supported by internal reflectance andmore » diffuse reflectance measurements in spectrometer sample compartments to characterize the reactants. Beryllium oxide has been studied using an evacuable diffuse reflectance cell to determine the effects of vacuum baking reexposure to moisture on the surface hydroxyl species. Diffuse reflectance and emission measurements have been used to monitor the curing and reaction of environmental gases with composite materials such as graphite-expoxy structures. A direct comparison of diffuse reflectance and emission spectra was done using a barrel ellipsoid diffuse reflectance/emission detector and Spectropus optical transfer system. Grazing-incidence external-reflectance with p-polarized light was used to study the oxidation in room air of polished uranium coupons. The absorption band at 570 cm{sup {minus}1} was used to monitor the extent of oxidation with a resolution of approximately one monolayer of UO{sub 2} and to distinguish the parabolic, linear, and breakaway corrosion domains. External reflectance is compared with diffuse reflectance as a method for stain analysis and for measuring the effects of H{sub 2}O in UO{sub 2} corrosion films.« less

Spectral properties of Ca-sulfates: Gypsum, bassanite, and anhydrite

USGS Publications Warehouse

Bishop, Janice L.; Lane, Melissa D.; Dyar, M. Darby; King, Sara J.; Brown, Adrian J.; Swayze, Gregg A.

2014-01-01

This study of the spectral properties of Ca-sulfates was initiated to support remote detection of these minerals on Mars. Gypsum, bassanite, and anhydrite are the currently known forms of Ca-sulfates. They are typically found in sedimentary evaporites on Earth, but can also form via reaction of acidic fluids associated with volcanic activity. Reflectance, emission, transmittance, and Raman spectra are discussed here for various sample forms. Gypsum and bassanite spectra exhibit characteristic and distinct triplet bands near 1.4–1.5 μm, a strong band near 1.93–1.94 μm, and multiple features near 2.1–2.3 μm attributed to H2O. Anhydrite, bassanite, and gypsum all have SO4 combination and overtone features from 4.2–5 μm that are present in reflectance spectra. The mid-IR region spectra exhibit strong SO4 ν3 and ν4 vibrational bands near 1150–1200 and 600–680 cm−1 (~8.5 and 16 μm), respectively. Additional weaker features are observed near 1005–1015 cm−1 (~10 μm) for ν1 and near 470–510 cm−1 (~20 μm) for ν2. The mid-IR H2O bending vibration occurs near 1623–1630 cm−1 (~6.2 μm). The visible/near-infrared region spectra are brighter for the finer-grained samples. In reflectance and emission spectra of the mid-IR region the ν4 bands begin to invert for the finer-grained samples, and the ν1 vibration occurs as a band instead of a peak and has the strongest intensity for the finer-grained samples. The ν2 vibration is a sharp band for anhydrite and a broad peak for gypsum. The band center of the ν1 vibration follows a trend of decreasing frequency (increasing wavelength) with increasing hydration of the sample in the transmittance, Raman, and reflectance spectra. Anhydrite forms at elevated temperatures compared to gypsum, and at lower temperature, salt concentration, and pH than bassanite. The relative humidity controls whether bassanite or gypsum is stable. Thus, distinguishing among gypsum, bassanite, and anhydrite via remote sensing can provide constraints on the geochemical environment.

New tests of the common calibration context for ISO, IRTS, and MSX

NASA Technical Reports Server (NTRS)

Cohen, Martin

1997-01-01

The work carried out in order to test, verify and validate the accuracy of the calibration spectra provided to the Infrared Space Observatory (ISO), to the Infrared Telescope in Space (IRTS) and to the Midcourse Space Experiment (MSX) for external calibration support of instruments, is reviewed. The techniques, used to vindicate the accuracy of the absolute spectra, are discussed. The work planned for comparing far infrared spectra of Mars and some of the bright stellar calibrators with long wavelength spectrometer data are summarized.

Laboratory Study of Aliphatic Organic Spectral Signatures and Applications to Ceres and Primitive Asteroids

NASA Astrophysics Data System (ADS)

Kaplan, H. H.; Milliken, R.

2017-12-01

Aliphatic organics were recently discovered on the surface of Ceres with Dawn's Visible and InfraRed (VIR) mapping spectrometer, which has implications for prebiotic chemistry of Ceres and other asteroids. An absorption in the spectrum at 3.4 µm was used to identify and provide initial estimates of the amount of organic material. We have studied the 3.4 µm absorption in reflectance spectra of bulk rock and meteorite powders and isolated organic materials in the NASA RELAB facility at Brown University to determine how organic composition and abundance affects absorption strength. Reflectance spectra of insoluble organic matter (IOM) extracted from carbonaceous chondrites were measured from 0.35 - 25 µm. These IOM have known elemental (H, C, N, O) and isotopic compositions that were compared with spectral properties. Bulk meteorites were measured as chips and particulates over the same wavelength range. Despite overall low reflectance values (albedo <0.01), the 3.4 µm absorption is observed for some IOM samples, specifically those with a H/C ratio greater than 0.4. The absorption strength (band depth) increases with increasing H/C ratio, which corroborates similar findings in our previous study of sedimentary rocks and isolated kerogens. The absorption strength in the bulk meteorites reflects both H/C of the IOM and the concentration of IOM in the inorganic (mineral) matrix. Overlapping absorptions from carbonates and phyllosilicates (OH/H2O) can also influence the aliphatic organic bands in bulk rocks and meteorites. This laboratory work provides a foundation that can be used to constrain the composition of Ceres' aliphatic organic matter using band depth as a proxy for H/C. Reflectance spectra collected for this work will also be used to model the Dawn VIR data and obtain abundance and H/C estimates assuming that the organic material on Ceres' surface is similar to carbonaceous chondrite IOM. These spectra and findings can aid interpretation of reflectance data from Ceres and other asteroid missions, such as OSIRIS-REx and Hayabusa2.

Generating the Infrared Spectra of Large Interstellar Molecules with Density Functional Theory

NASA Technical Reports Server (NTRS)

Bauschlicher, Charles W., Jr.; Arnold, James (Technical Monitor)

1999-01-01

It is now possible to compute IR (infrared) spectra of large molecules with an accuracy of 30 per cm, or better, using density function theory. This is true for cations, anions, and neutrals. Thus it possible to generate synthetic IR spectra that can help interpret experimental spectra and fill in for missing experimental data. These synthetic spectra can be used as input into interstellar models. In addition to IR spectra, it is possible to compute energetic properties to help understand which molecules can be formed in the interstellar environment.

Remote sensing and the optical properties of the narrow cylindrical leaves of Juncus roemerianus

USGS Publications Warehouse

Ramsey, Elijah W.; Rangoonwala, A.

2004-01-01

To develop a more complete foundation for remote sensing of the marsh grass Juncus roemerianus, we measured the optical properties of its cylindrical leaves at sites of different canopy height, biomass composition and amount, and connectivity to ocean flushing. To measure the leaf optical properties, we adapted a technique used for conifer needles. After establishing the reliability and limits of the adapted technique to the wider J.roemerianus leaves, mean transmittance and reflectance spectra were compared to associated leaf diameters from two dates in 1999 and 2002 and at each site. Transmittance was inversely related to leaf diameter. Mean transmittance and reflectance generated from reoccupation of many field sites in 2002 indicated little or no difference in transmittance between years, a slight reflectance difference in the visible (<2%) and a slightly higher reflectance difference in the near infrared (NIR) (<4%). Site comparison indicated limited ability to separate leaf transmittance but not reflectance by marsh type (e.g., low, medium, high) or biomass. Excluding one outlier, we found leaf transmittances could be adequately represented as 1% ?? 0.2% in the visible and 9% ?? 1% in the NIR and leaf reflectances represented from 14% to 16% in the visible and 71% to 75% in the NIR (the reflectance ranges represent 1999 and 2002 means). Reflectance and transmittance spectra associated with the dead J. roemerianus leaves displayed a spectrally flat increase from the visible to the NIR wavelengths. In total, we documented the atypical optical properties of the cylindrical J. roemerianus leaves and showed that to a first approximation, single means could represent leaf transmittance and visible leaf reflectance across all marsh zones and, after accounting for sample standardization, possibly the NIR reflectance as well.

FT-IR spectroscopic studies of polycyclic aromatic hydrocarbons

NASA Technical Reports Server (NTRS)

Salisbury, D. W.; Allen, J. E., Jr.; Donn, B.; Moore, W. J.; Khanna, R. K.

1990-01-01

Proper assessment of the hypothesis which correlates polycyclic aromatic hydrocarbons (PAHs) with the unidentified infrared emission bands requires additional experimental laboratory data. In order to address this need, thermal infrared emission studies were performed on a subset of PAHs suggested to be of astrophysical importance. It was proposed that infrared emission from interstellar PAHs occurs following absorption of an ultraviolet photon. Since energy transfer to the ground electronic state can be rapid for a species in which intersystem crossing is negligible, the emission spectrum may be viewed as resulting from an equilibrium vibrational temperature (Leger and d'Hendecourt, 1987). This has been the basis for using infrared absorption spectra to calculate the corresponding emission spectra at various temperatures. These calculations were made using room temperature infrared absorption coefficients instead of those at the temperature of interest because of the latter's unavailability. The present studies are designed to address the differences between the calculated and experimental thermal emission spectra and to provide information which will be useful in future ultraviolet induced infrared fluorescence studies. The emission spectra have been obtained for temperatures up to 825K using an emission cell designed to mount against an external port of an FT-IR spectrometer. These spectra provide information concerning relative band intensities and peak positions which is unavailable from previous calculations.

AN ATLAS OF BRIGHT STAR SPECTRA IN THE NEAR-INFRARED FROM CASSINI-VIMS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stewart, Paul N.; Tuthill, Peter G.; Nicholson, Philip D.

2015-12-15

We present the Cassini Atlas Of Stellar Spectra (CAOSS), comprised of near-infrared, low-resolution spectra of bright stars recovered from space-based observations by the Cassini spacecraft. The 65 stellar targets in the atlas are predominately M, K, and S giants. However, it also contains spectra of other bright nearby stars including carbon stars and main-sequence stars from A to F. The spectra presented are free of all spectral contamination caused by the Earth's atmosphere, including the detrimental telluric molecular bands which put parts of the near-infrared spectrum out of reach of terrestrial observations. With a single instrument, a spectro-photometric data set is recoveredmore » that spans the near-infrared from 0.8 to 5.1 μm with spectral resolution ranging from R = 53.5 to R = 325. Spectra have been calibrated into absolute flux units after careful characterization of the instrumental spectral efficiency. Spectral energy distributions for most stars match closely with literature values. All final data products have been made available online.« less

On the Relationship Between Hyperspectral Data and Foliar Nitrogen Content in Closed Canopy Forests

NASA Astrophysics Data System (ADS)

Knyazikhin, Y.; Schull, M.; Lepine, L. C.; Stenberg, P.; Mõttus, M.; Rautiainen, M.; Latorre, P.; Myneni, R.; Kaufmann, R.

2011-12-01

The importance of nitrogen for terrestrial ecosystem carbon dynamics and its climate feedback has been well recognized by the ecological community. Interaction between carbon and nitrogen at leaf level is among the fundamental mechanisms that directly control the dynamics of terrestrial vegetation carbon. This process influences absorption and scattering of solar radiation by foliage, which in turn impacts radiation reflected by the vegetation and measured by satellite sensors. NASA's Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) and ground based data on canopy structure and foliage nitrogen concentration acquired over six sites in Maine, New England, Florida, North Carolina and Washington were analyzed to assess the role of canopy structure, leaf optics and its biochemical constituents in the spectral variation of radiation reflected by the forest. The study sites represent closed canopy forests (LAI~5). Our results suggest: 1. Impact of canopy structure is so strong that it can significantly suppress the sensitivity of hyperspectral data to leaf optics. 2. Forest reflectance spectra in the interval [710, 790 nm] are required to obtain the fraction of the total leaf area that a "sensor sees" in a given direction. For closed canopy forests its retrieval does not require canopy reflectance models, suggesting that canopy reflectance spectra in this interval provide a direct estimate of the leaf area fraction. 3. The leaf area fraction fully explains variation in measured reflectance spectra due to variation in canopy structure. This variable is used to estimate the mean leaf scattering over foliage that the "sensor sees." For example the nadir-viewing AVIRIS sensor accumulates foliage optical properties over 25% of the total foliage area in needle leaf forest and about 50% in broadleaf forest. 4. Leaf surface properties have an impact on forest reflectivity, lowering its sensitivity to leaf absorbing pigments. 5. Variation in foliar nitrogen concentration can explain up to 55% of variation in AVIRIS spectra in the interval between 400 and 900 nm. The remaining factors could be due to (a) impact of leaf surface properties and/or (b) under-sampling of leaf optical properties due to the single view of the AVIRIS sensor. The theory of canopy spectral invariants underlies the separation of leaf scattering from the total canopy reflectance spectrum.

Source Determination of Red Gel Pen Inks using Raman Spectroscopy and Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy combined with Pearson's Product Moment Correlation Coefficients and Principal Component Analysis.

PubMed

Mohamad Asri, Muhammad Naeim; Mat Desa, Wan Nur Syuhaila; Ismail, Dzulkiflee

2018-01-01

The potential combination of two nondestructive techniques, that is, Raman spectroscopy (RS) and attenuated total reflectance-fourier transform infrared (ATR-FTIR) spectroscopy with Pearson's product moment correlation (PPMC) coefficient (r) and principal component analysis (PCA) to determine the actual source of red gel pen ink used to write a simulated threatening note, was examined. Eighteen (18) red gel pens purchased from Japan and Malaysia from November to December 2014 where one of the pens was used to write a simulated threatening note were analyzed using RS and ATR-FTIR spectroscopy, respectively. The spectra of all the red gel pen inks including the ink deposited on the simulated threatening note gathered from the RS and ATR-FTIR analyses were subjected to PPMC coefficient (r) calculation and principal component analysis (PCA). The coefficients r = 0.9985 and r = 0.9912 for pairwise combination of RS and ATR-FTIR spectra respectively and similarities in terms of PC1 and PC2 scores of one of the inks to the ink deposited on the simulated threatening note substantiated the feasibility of combining RS and ATR-FTIR spectroscopy with PPMC coefficient (r) and PCA for successful source determination of red gel pen inks. The development of pigment spectral library had allowed the ink deposited on the threatening note to be identified as XSL Poppy Red (CI Pigment Red 112). © 2017 American Academy of Forensic Sciences.

Proposal of ultrasonic-assisted mid-infrared spectroscopy for incorporating into daily life like smart-toilet and non-invasive blood glucose sensor

NASA Astrophysics Data System (ADS)

Kitazaki, Tomoya; Mori, Keita; Yamamoto, Naoyuki; Wang, Congtao; Kawashima, Natsumi; Ishimaru, Ichiro

2017-07-01

We proposed the extremely compact beans-size snap-shot mid-infrared spectroscopy that will be able to be built in smartphones. And also the easy preparation method of thin-film samples generated by ultrasonic standing wave is proposed. Mid-infrared spectroscopy is able to identify material components and estimate component concentrations quantitatively from absorption spectra. But conventional spectral instruments were very large-size and too expensive to incorporate into daily life. And preparations of thin-film sample were very troublesome task. Because water absorption in mid-infrared lights is very strong, moisture-containing-sample thickness should be less than 100[μm]. Thus, midinfrared spectroscopy has been utilized only by analytical experts in their laboratories. Because ultrasonic standing wave is compressional wave, we can generate periodical refractive-index distributions inside of samples. A high refractiveindex plane is correspond to a reflection boundary. When we use a several MHz ultrasonic transducer, the distance between sample surface and generated first node become to be several ten μm. Thus, the double path of this distance is correspond to sample thickness. By combining these two proposed methods, as for liquid samples, urinary albumin and glucose concentrations will be able to be measured inside of toilet. And as for solid samples, by attaching these apparatus to earlobes, the enhancement of reflection lights from near skin surface will create a new path to realize the non-invasive blood glucose sensor. Using the small ultrasonic-transducer whose diameter was 10[mm] and applied voltage 8[V], we detected the internal reflection lights from colored water as liquid sample and acrylic board as solid sample.

Chemoinformetrical evaluation of dissolution property of indomethacin tablets by near-infrared spectroscopy.

PubMed

Otsuka, Makoto; Tanabe, Hideaki; Osaki, Kazuo; Otsuka, Kuniko; Ozaki, Yukihiro

2007-04-01

The purpose of this study was to use near-infrared spectrometry (NIR) with chemoinformetrics to predict the change of dissolution properties in indomethacin (IMC) tablets during the manufacturing process. A comparative evaluation of the dissolution properties of the tablets was performed by the diffused reflectance (DRNIR) and transmittance (TNIR) NIR spectroscopic methods. Various kinds of IMC tablets (200 mg) were obtained from a powder (20 mg of IMC, 18 mg of microcrystalline cellulose, 160 mg of lactose, and 2 mg of magnesium stearate) under various compression pressures (60-398 MPa). Dissolution tests were performed in phosphate buffer, and the time required for 75% dissolution (T75) and mean dissolution time (MDT) were calculated. DRNIR and TNIR spectra were recorded, and the both NIR spectra used to establish a calibration model for predicting the dissolution properties by principal component regression analysis (PCR). The T75 and MDT increased as the compression pressure increased, since tablet porosity decreased with increasing pressure. Intensity of the DRNIR spectra of the compressed tablets decreased as the compression pressure increased. However, the intensity of TNIR spectra increased along with the pressure. The calibration models used to evaluate the dissolution properties of tablets were established by using PCR based on both DRNIR and TNIR spectra of the tablets. The multiple correlation coefficients of the relationship between the actual and predictive T75 by the DRNIR and TNIR methods were 0.831 and 0.962, respectively. It is possible to predict the dissolution properties of pharmaceutical preparations using both DRNIR and TNIR chemoinformetric methods. The TNIR method was more accurate for predictions of the dissolution behavior of tablets than the DRNIR method. (c) 2007 Wiley-Liss, Inc.

[Rapid Identification of Epicarpium Citri Grandis via Infrared Spectroscopy and Fluorescence Spectrum Imaging Technology Combined with Neural Network].

PubMed

Pan, Sha-sha; Huang, Fu-rong; Xiao, Chi; Xian, Rui-yi; Ma, Zhi-guo

2015-10-01

To explore rapid reliable methods for detection of Epicarpium citri grandis (ECG), the experiment using Fourier Transform Attenuated Total Reflection Infrared Spectroscopy (FTIR/ATR) and Fluorescence Spectrum Imaging Technology combined with Multilayer Perceptron (MLP) Neural Network pattern recognition, for the identification of ECG, and the two methods are compared. Infrared spectra and fluorescence spectral images of 118 samples, 81 ECG and 37 other kinds of ECG, are collected. According to the differences in tspectrum, the spectra data in the 550-1 800 cm(-1) wavenumber range and 400-720 nm wavelength are regarded as the study objects of discriminant analysis. Then principal component analysis (PCA) is applied to reduce the dimension of spectroscopic data of ECG and MLP Neural Network is used in combination to classify them. During the experiment were compared the effects of different methods of data preprocessing on the model: multiplicative scatter correction (MSC), standard normal variable correction (SNV), first-order derivative(FD), second-order derivative(SD) and Savitzky-Golay (SG). The results showed that: after the infrared spectra data via the Savitzky-Golay (SG) pretreatment through the MLP Neural Network with the hidden layer function as sigmoid, we can get the best discrimination of ECG, the correct percent of training set and testing set are both 100%. Using fluorescence spectral imaging technology, corrected by the multiple scattering (MSC) results in the pretreatment is the most ideal. After data preprocessing, the three layers of the MLP Neural Network of the hidden layer function as sigmoid function can get 100% correct percent of training set and 96.7% correct percent of testing set. It was shown that the FTIR/ATR and fluorescent spectral imaging technology combined with MLP Neural Network can be used for the identification study of ECG and has the advantages of rapid, reliable effect.