Infrared Spectroscopic Imaging of Latent Fingerprints and Associated Forensic Evidence

PubMed Central

Chen, Tsoching; Schultz, Zachary D.; Levin, Ira W.

2011-01-01

Fingerprints reflecting a specific chemical history, such as exposure to explosives, are clearly distinguished from overlapping, and interfering latent fingerprints using infrared spectroscopic imaging techniques and multivariate analysis. PMID:19684917

Enhanced sensitivity to dielectric function and thickness of absorbing thin films by combining total internal reflection ellipsometry with standard ellipsometry and reflectometry

NASA Astrophysics Data System (ADS)

Lizana, A.; Foldyna, M.; Stchakovsky, M.; Georges, B.; Nicolas, D.; Garcia-Caurel, E.

2013-03-01

High sensitivity of spectroscopic ellipsometry and reflectometry for the characterization of thin films can strongly decrease when layers, typically metals, absorb a significant fraction of the light. In this paper, we propose a solution to overcome this drawback using total internal reflection ellipsometry (TIRE) and exciting a surface longitudinal wave: a plasmon-polariton. As in the attenuated total reflectance technique, TIRE exploits a minimum in the intensity of reflected transversal magnetic (TM) polarized light and enhances the sensitivity of standard methods to thicknesses of absorbing films. Samples under study were stacks of three films, ZnO : Al/Ag/ZnO : Al, deposited on glass substrates. The thickness of the silver layer varied from sample to sample. We performed measurements with a UV-visible phase-modulated ellipsometer, an IR Mueller ellipsometer and a UV-NIR reflectometer. We used the variance-covariance formalism to evaluate the sensitivity of the ellipsometric data to different parameters of the optical model. Results have shown that using TIRE doubled the sensitivity to the silver layer thickness when compared with the standard ellipsometry. Moreover, the thickness of the ZnO : Al layer below the silver layer can be reliably quantified, unlike for the fit of the standard ellipsometry data, which is limited by the absorption of the silver layer.

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.

Depth-resolved measurements with elliptically polarized reflectance spectroscopy

PubMed Central

Bailey, Maria J.; Sokolov, Konstantin

2016-01-01

The ability of elliptical polarized reflectance spectroscopy (EPRS) to detect spectroscopic alterations in tissue mimicking phantoms and in biological tissue in situ is demonstrated. It is shown that there is a linear relationship between light penetration depth and ellipticity. This dependence is used to demonstrate the feasibility of a depth-resolved spectroscopic imaging using EPRS. The advantages and drawbacks of EPRS in evaluation of biological tissue are analyzed and discussed. PMID:27446712

Molecular spectroscopic study for suggested mechanism of chrome tanned leather

NASA Astrophysics Data System (ADS)

Nashy, Elshahat H. A.; Osman, Osama; Mahmoud, Abdel Aziz; Ibrahim, Medhat

2012-03-01

Collagen represents the structural protein of the extracellular matrix, which gives strength of hides and/or skin under tanning process. Chrome tan is the most important tanning agent all over the world. The methods for production of leather evolved over several centuries as art and engineering with little understanding of the underlying science. The present work is devoted to suggest the most probable mechanistic action of chrome tan on hide proteins. First the affect of Cr upon hide protein is indicated by the studied mechanical properties. Then the spectroscopic characterization of the hide protein as well as chrome tanned leather was carried out with Horizontal Attenuated Total Reflection (HATR) FT-IR. The obtained results indicate how the chromium can attached with the active sites of collagen. Molecular modeling confirms that chromium can react with amino as well as carboxylate groups. Four schemes were obtained to describe the possible interactions of chrome tan with hide proteins.

Advances in spectroscopic methods for quantifying soil carbon

USGS Publications Warehouse

Liebig, Mark; Franzluebbers, Alan J.; Follett, Ronald F.; Hively, W. Dean; Reeves, James B.; McCarty, Gregory W.; Calderon, Francisco

2012-01-01

The gold standard for soil C determination is combustion. However, this method requires expensive consumables, is limited to the determination of the total carbon and in the number of samples which can be processed (~100/d). With increased interest in soil C sequestration, faster methods are needed. Thus, interest in methods based on diffuse reflectance spectroscopy in the visible, near-infrared or mid-infrared ranges using either proximal or remote sensing. These methods have the ability to analyze more samples (2 to 3X/d) or huge areas (imagery) and do multiple analytes simultaneously, but require calibrations relating spectral and reference data and have specific problems, i.e., remote sensing is capable of scanning entire watersheds, thus reducing the sampling needed, but is limiting to the surface layer of tilled soils and by difficulty in obtaining proper calibration reference values. The objective of this discussion is the present state of spectroscopic methods for soil C determination.

Effect of polyvinylpyrrolidone content on alternating current conductivity of polyaniline

NASA Astrophysics Data System (ADS)

Megha, R.; Kumar, T. G. Naveen; Ravikiran, Y. T.; Prakash, H. G. Raj; Revanasiddappa, M.; Kumari, S. C. Vijaya

2018-05-01

In the present work, Polyaniline (PANI) and Polyaniline-polyvinylpyrrolidone (PANI-PVP) composites of two different weight percentages of PVP were synthesized separately by simple chemical polymerization method. The interaction between PANI and PVP in each of the composite was confirmed by Attenuated total reflection infrared spectroscopic (AT-IR) technique. The alternate current (AC) response characteristics at room temperature of PANI and the composites in the frequency range 50 Hz-1 MHz were comparatively studied. Both the composites have shown decreased conductivity as compared to that of PANI.

Vegetation's red edge: a possible spectroscopic biosignature of extraterrestrial plants.

PubMed

Seager, S; Turner, E L; Schafer, J; Ford, E B

2005-06-01

Earth's deciduous plants have a sharp order-of-magnitude increase in leaf reflectance between approximately 700 and 750 nm wavelength. This strong reflectance of Earth's vegetation suggests that surface biosignatures with sharp spectral features might be detectable in the spectrum of scattered light from a spatially unresolved extrasolar terrestrial planet. We assess the potential of Earth's step-function-like spectroscopic feature, referred to as the "red edge," as a tool for astrobiology. We review the basic characteristics and physical origin of the red edge and summarize its use in astronomy: early spectroscopic efforts to search for vegetation on Mars and recent reports of detection of the red edge in the spectrum of Earthshine (i.e., the spatially integrated scattered light spectrum of Earth). We present Earthshine observations from Apache Point Observatory (New Mexico) to emphasize that time variability is key to detecting weak surface biosignatures such as the vegetation red edge. We briefly discuss the evolutionary advantages of vegetation's red edge reflectance, and speculate that while extraterrestrial "light-harvesting organisms" have no compelling reason to display the exact same red edge feature as terrestrial vegetation, they might have similar spectroscopic features at different wavelengths than terrestrial vegetation. This implies that future terrestrial-planet-characterizing space missions should obtain data that allow time-varying, sharp spectral features at unknown wavelengths to be identified. We caution that some mineral reflectance edges are similar in slope and strength to vegetation's red edge (albeit at different wavelengths); if an extrasolar planet reflectance edge is detected care must be taken with its interpretation.

Attenuated total reflectance-FT-IR spectroscopy for gunshot residue analysis: potential for ammunition determination.

PubMed

Bueno, Justin; Sikirzhytski, Vitali; Lednev, Igor K

2013-08-06

The ability to link a suspect to a particular shooting incident is a principal task for many forensic investigators. Here, we attempt to achieve this goal by analysis of gunshot residue (GSR) through the use of attenuated total reflectance (ATR) Fourier transform infrared spectroscopy (FT-IR) combined with statistical analysis. The firearm discharge process is analogous to a complex chemical process. Therefore, the products of this process (GSR) will vary based upon numerous factors, including the specific combination of the firearm and ammunition which was discharged. Differentiation of FT-IR data, collected from GSR particles originating from three different firearm-ammunition combinations (0.38 in., 0.40 in., and 9 mm calibers), was achieved using projection to latent structures discriminant analysis (PLS-DA). The technique was cross (leave-one-out), both internally and externally, validated. External validation was achieved via assignment (caliber identification) of unknown FT-IR spectra from unknown GSR particles. The results demonstrate great potential for ATR-FT-IR spectroscopic analysis of GSR for forensic purposes.

Quantification of tissue oxygenation levels using diffuse reflectance spectroscopy

NASA Astrophysics Data System (ADS)

B. S., Suresh Anand; N., Sujatha

2011-08-01

Tumor growth is characterized by increased metabolic activity. The light absorption profile of hemoglobin in dysplastic tissue is different from a normal tissue. Neovascularization is a hallmark of many diseases and can serve as a predictive biomarker for the detection of cancers. Spectroscopic techniques can provide information about the metabolic and morphological changes related to the progression of neoplasia. Diffuse reflectance spectroscopy (DRS) measures the absorption and scattering properties of a biological tissue and this method can provide clinically useful information for the early diagnosis of epithelial precancers. We used tissue simulating phantoms with absorbing and scattering molecules for the determination of total hemoglobin concentration, hemoglobin oxygen saturation and intensity difference between the deoxy and oxy hemoglobin bands. The results show promising approach for the differentiating normal and malignant states of a tissue.

Calibration schemes of a field-compatible optical spectroscopic system to quantify neovascular changes in the dysplastic cervix

NASA Astrophysics Data System (ADS)

Chang, Vivide Tuan-Chyan; Merisier, Delson; Yu, Bing; Walmer, David K.; Ramanujam, Nirmala

2011-03-01

A significant challenge in detecting cervical pre-cancer in low-resource settings is the lack of effective screening facilities and trained personnel to detect the disease before it is advanced. Light based technologies, particularly quantitative optical spectroscopy, have the potential to provide an effective, low cost, and portable solution for cervical pre-cancer screening in these communities. We have developed and characterized a portable USB-powered optical spectroscopic system to quantify total hemoglobin content, hemoglobin saturation, and reduced scattering coefficient of cervical tissue in vivo. The system consists of a high-power LED as light source, a bifurcated fiber optic assembly, and two USB spectrometers for sample and calibration spectra acquisitions. The system was subsequently tested in Leogane, Haiti, where diffuse reflectance spectra from 33 colposcopically normal sites in 21 patients were acquired. Two different calibration methods, i.e., a post-study diffuse reflectance standard measurement and a real time self-calibration channel were studied. Our results suggest that a self-calibration channel enabled more accurate extraction of scattering contrast through simultaneous real-time correction of intensity drifts in the system. A self-calibration system also minimizes operator bias and required training. Hence, future contact spectroscopy or imaging systems should incorporate a selfcalibration channel to reliably extract scattering contrast.

Testing the Performance and Accuracy of the RELXILL Model for the Relativistic X-Ray Reflection from Accretion Disks

NASA Astrophysics Data System (ADS)

Choudhury, Kishalay; García, Javier A.; Steiner, James F.; Bambi, Cosimo

2017-12-01

The reflection spectroscopic model RELXILL is commonly implemented in studying relativistic X-ray reflection from accretion disks around black holes. We present a systematic study of the model’s capability to constrain the dimensionless spin and ionization parameters from ∼6000 Nuclear Spectroscopic Telescope Array (NuSTAR) simulations of a bright X-ray source employing the lamp-post geometry. We employ high-count spectra to show the limitations in the model without being confused with limitations in signal-to-noise. We find that both parameters are well-recovered at 90% confidence with improving constraints at higher reflection fraction, high spin, and low source height. We test spectra across a broad range—first at 106–107 and then ∼105 total source counts across the effective 3–79 keV band of NuSTAR, and discover a strong dependence of the results on how fits are performed around the starting parameters, owing to the complexity of the model itself. A blind fit chosen over an approach that carries some estimates of the actual parameter values can lead to significantly worse recovery of model parameters. We further stress the importance to span the space of nonlinear-behaving parameters like {log} ξ carefully and thoroughly for the model to avoid misleading results. In light of selecting fitting procedures, we recall the necessity to pay attention to the choice of data binning and fit statistics used to test the goodness of fit by demonstrating the effect on the photon index Γ. We re-emphasize and implore the need to account for the detector resolution while binning X-ray data and using Poisson fit statistics instead while analyzing Poissonian data.

Reducing adverse effects from UV sunscreens by zeolite encapsulation: comparison of oxybenzone in solution and in zeolites.

PubMed

Chrétien, Michelle N; Heafey, Eve; Scaiano, Juan C

2010-01-01

Oxybenzone (OXB) is one of the most widely employed sunscreen ingredients, yet its allowed load is limited to a maximum of 6% reflecting the frequency with which adverse effects are reported. From a spectroscopic point of view, OXB has excellent absorption properties in both the UVB and UVA regions. We propose that zeolite encapsulation can lead to a sunscreen composite ingredient, that we describe as a supramolecular sunscreen, that will retain the excellent spectroscopic properties of OXB, while preventing contact between the skin and the active ingredient. OXB is very photostable, with the only photodegradative pathway observed being the monophotonic photoejection of electrons that leads to trace yields of phenoxyl radicals; this trace reaction is so minor that it cannot be detected from the recovery of unreacted OXB following UV exposure. Solution, as well as powder and in vitro studies of the supramolecular sunscreen, demonstrate that the protective properties of OXB are totally preserved when encapsulated in zeolite NaY.

Molecular spectroscopic study for suggested mechanism of chrome tanned leather.

PubMed

Nashy, Elshahat H A; Osman, Osama; Mahmoud, Abdel Aziz; Ibrahim, Medhat

2012-03-01

Collagen represents the structural protein of the extracellular matrix, which gives strength of hides and/or skin under tanning process. Chrome tan is the most important tanning agent all over the world. The methods for production of leather evolved over several centuries as art and engineering with little understanding of the underlying science. The present work is devoted to suggest the most probable mechanistic action of chrome tan on hide proteins. First the affect of Cr upon hide protein is indicated by the studied mechanical properties. Then the spectroscopic characterization of the hide protein as well as chrome tanned leather was carried out with Horizontal Attenuated Total Reflection (HATR) FT-IR. The obtained results indicate how the chromium can attached with the active sites of collagen. Molecular modeling confirms that chromium can react with amino as well as carboxylate groups. Four schemes were obtained to describe the possible interactions of chrome tan with hide proteins. Copyright © 2011 Elsevier B.V. All rights reserved.

Revealing the Nature and Distribution of Metal Carboxylates in Jackson Pollock's Alchemy (1947) by Micro-Attenuated Total Reflection FT-IR Spectroscopic Imaging.

PubMed

Gabrieli, Francesca; Rosi, Francesca; Vichi, Alessandra; Cartechini, Laura; Pensabene Buemi, Luciano; Kazarian, Sergei G; Miliani, Costanza

2017-01-17

Protrusions, efflorescence, delamination, and opacity decreasing are severe degradation phenomena affecting oil paints with zinc oxide, one of the most common white pigments of the 20th century. Responsible for these dramatic alterations are the Zn carboxylates (also known as Zn soaps) originated by the interaction of the pigment and the fatty acids resulting from the hydrolysis of glycerides in the oil binding medium. Despite their widespread occurrence in paintings and the growing interest of the scientific community, the process of formation and evolution of Zn soaps is not yet fully understood. In this study micro-attenuated total reflection (ATR)-FT-IR spectroscopic imaging was required for the investigation at the microscale level of the nature and distribution of Zn soaps in the painting Alchemy by J. Pollock (1947, Peggy Guggenheim Collection, Venice) and for comparison with artificially aged model samples. For both actual samples and models, the role of AlSt(OH) 2 , a jellifying agent commonly added in 20th century paint tube formulations, proved decisive for the formation of zinc stearate-like (ZnSt 2 ) soaps. It was observed that ZnSt 2 -like soaps first form around the added AlSt(OH) 2 particles and then eventually grow within the whole painting stratigraphy as irregularly shaped particles. In some of the Alchemy samples, and diversely from the models, a peculiar distribution of ZnSt 2 aggregates arranged as rounded and larger particles was also documented. Notably, in one of these samples, larger agglomerates of ZnSt 2 expanding toward the support of the painting were observed and interpreted as the early stage of the formation of internal protrusions. Micro-ATR-FT-IR spectroscopic imaging, thanks to a very high chemical specificity combined with high spatial resolution, was proved to give valuable information for assessing the conservation state of irreplaceable 20th century oil paintings, revealing the chemical distribution of Zn soaps within the paint stratigraphy before their effect becomes disruptive.

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.

Spectroscopic identification of individual fluorophores using photoluminescence excitation spectra.

PubMed

Czerski, J; Colomb, W; Cannataro, F; Sarkar, S K

2018-01-25

The identity of a fluorophore can be ambiguous if other fluorophores or nonspecific fluorescent impurities have overlapping emission spectra. The presence of overlapping spectra makes it difficult to differentiate fluorescent species using discrete detection channels and unmixing of spectra. The unique absorption and emission signatures of fluorophores provide an opportunity for spectroscopic identification. However, absorption spectroscopy may be affected by scattering, whereas fluorescence emission spectroscopy suffers from signal loss by gratings or other dispersive optics. Photoluminescence excitation spectra, where excitation is varied and emission is detected at a fixed wavelength, allows hyperspectral imaging with a single emission filter for high signal-to-background ratio without any moving optics on the emission side. We report a high throughput method for measuring the photoluminescence excitation spectra of individual fluorophores using a tunable supercontinuum laser and prism-type total internal reflection fluorescence microscope. We used the system to measure and sort the photoluminescence excitation spectra of individual Alexa dyes, fluorescent nanodiamonds (FNDs), and fluorescent polystyrene beads. We used a Gaussian mixture model with maximum likelihood estimation to objectively separate the spectra. Finally, we spectroscopically identified different species of fluorescent nanodiamonds with overlapping spectra and characterized the heterogeneity of fluorescent nanodiamonds of varying size. © 2018 The Authors Journal of Microscopy © 2018 Royal Microscopical Society.

Case study: in vivo stress diagnostics by spectroscopic determination of the cutaneous carotenoid antioxidant concentration in midwives depending on shift work

NASA Astrophysics Data System (ADS)

Maeter, H.; Briese, V.; Gerber, B.; Darvin, M. E.; Lademann, J.; Olbertz, D. M.

2013-10-01

Laser spectroscopic methods, for instance resonance Raman spectroscopy and reflectance spectroscopy, permit us for the first time to investigate the antioxidative status in human skin non-invasively by measurement of carotenoid concentration. The individual antioxidant concentration of the human skin is determined by the nutritional habits, on the one hand, and by stressors, such as shift work, on the other. Due to the disturbance of the circadian rhythm and melatonin secretion, shift work is associated with, inter alia, insomnia and gastrointestinal disorders. The study at hand was the first to determine the cutaneous antioxidant concentration of midwives using reflectance spectroscopy and to relate the results to shift work. Seven midwives took part in the study. An LED-based compact scanner system was used for non-invasive measurements of carotenoids in human skin. The measuring principle is based on reflection spectroscopy. The study at hand suggests that the cutaneous antioxidative status may be adversely affected by shift work. Despite numerous international strategies of programmes available which invite people to eat more healthily, there are only a few measures aiming at stress reduction and management. In this field the use of reflectance spectroscopic investigation methods could play an essential role in the future.

Built-in hyperspectral camera for smartphone in visible, near-infrared and middle-infrared lights region (second report): sensitivity improvement of Fourier-spectroscopic imaging to detect diffuse reflection lights from internal human tissues for healthcare sensors

NASA Astrophysics Data System (ADS)

Kawashima, Natsumi; Hosono, Satsuki; Ishimaru, Ichiro

2016-05-01

We proposed the snapshot-type Fourier spectroscopic imaging for smartphone that was mentioned in 1st. report in this conference. For spectroscopic components analysis, such as non-invasive blood glucose sensors, the diffuse reflection lights from internal human skins are very weak for conventional hyperspectral cameras, such as AOTF (Acousto-Optic Tunable Filter) type. Furthermore, it is well known that the spectral absorption of mid-infrared lights or Raman spectroscopy especially in long wavelength region is effective to distinguish specific biomedical components quantitatively, such as glucose concentration. But the main issue was that photon energies of middle infrared lights and light intensities of Raman scattering are extremely weak. For improving sensitivity of our spectroscopic imager, the wide-field-stop & beam-expansion method was proposed. Our line spectroscopic imager introduced a single slit for field stop on the conjugate objective plane. Obviously to increase detected light intensities, the wider slit width of the field stop makes light intensities higher, regardless of deterioration of spatial resolutions. Because our method is based on wavefront-division interferometry, it becomes problems that the wider width of single slit makes the diffraction angle narrower. This means that the narrower diameter of collimated objective beams deteriorates visibilities of interferograms. By installing the relative inclined phaseshifter onto optical Fourier transform plane of infinity corrected optical systems, the collimated half flux of objective beams derived from single-bright points on objective surface penetrate through the wedge prism and the cuboid glass respectively. These two beams interfere each other and form the infererogram as spatial fringe patterns. Thus, we installed concave-cylindrical lens between the wider slit and objective lens as a beam expander. We successfully obtained the spectroscopic characters of hemoglobin from reflected lights from human fingers.

The study of genomic DNA adsorption and subsequent interactions using total internal reflection ellipsometry.

PubMed

Nabok, Alexei; Tsargorodskaya, Anna; Davis, Frank; Higson, Séamus P J

2007-10-31

The adsorption of genomic DNA and subsequent interactions between adsorbed and solvated DNA was studied using a novel sensitive optical method of total internal reflection ellipsometry (TIRE), which combines spectroscopic ellipsometry with surface plasmon resonance (SPR). Single strands of DNA of two species of fish (herring and salmon) were electrostatically adsorbed on top of polyethylenimine films deposited upon gold coated glass slides. The ellipsometric spectra were recorded and data fitting utilized to extract optical parameters (thickness and refractive index) of adsorbed DNA layers. The further adsorption of single stranded DNA from an identical source, i.e. herring ss-DNA on herring ss-DNA or salmon ss-DNA on salmon ss-DNA, on the surface was observed to give rise to substantial film thickness increases at the surface of about 20-21 nm. Conversely adsorption of DNA from alternate species, i.e. salmon ss-DNA on herring ss-DNA or herring ss-DNA on salmon ss-DNA, yielded much smaller changes in thickness of 3-5 nm. AFM studies of the surface roughness of adsorbed layers were in line with the TIRE data.

In-situ monitoring of blood glucose level for dialysis machine by AAA-battery-size ATR Fourier spectroscopy

NASA Astrophysics Data System (ADS)

Hosono, Satsuki; Sato, Shun; Ishida, Akane; Suzuki, Yo; Inohara, Daichi; Nogo, Kosuke; Abeygunawardhana, Pradeep K.; Suzuki, Satoru; Nishiyama, Akira; Wada, Kenji; Ishimaru, Ichiro

2015-07-01

For blood glucose level measurement of dialysis machines, we proposed AAA-battery-size ATR (Attenuated total reflection) Fourier spectroscopy in middle infrared light region. The proposed one-shot Fourier spectroscopic imaging is a near-common path and spatial phase-shift interferometer with high time resolution. Because numerous number of spectral data that is 60 (= camera frame rare e.g. 60[Hz]) multiplied by pixel number could be obtained in 1[sec.], statistical-averaging improvement realize high-accurate spectral measurement. We evaluated the quantitative accuracy of our proposed method for measuring glucose concentration in near-infrared light region with liquid cells. We confirmed that absorbance at 1600[nm] had high correlations with glucose concentrations (correlation coefficient: 0.92). But to measure whole-blood, complex light phenomenon caused from red blood cells, that is scattering and multiple reflection or so, deteriorate spectral data. Thus, we also proposed the ultrasound-assisted spectroscopic imaging that traps particles at standing-wave node. Thus, if ATR prism is oscillated mechanically, anti-node area is generated around evanescent light field on prism surface. By elimination complex light phenomenon of red blood cells, glucose concentration in whole-blood will be quantify with high accuracy. In this report, we successfully trapped red blood cells in normal saline solution with ultrasonic standing wave (frequency: 2[MHz]).

Noninvasive glucose monitoring by optical reflective and thermal emission spectroscopic measurements

NASA Astrophysics Data System (ADS)

Saetchnikov, V. A.; Tcherniavskaia, E. A.; Schiffner, G.

2005-08-01

Noninvasive method for blood glucose monitoring in cutaneous tissue based on reflective spectrometry combined with a thermal emission spectroscopy has been developed. Regression analysis, neural network algorithms and cluster analysis are used for data processing.

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...

Two novel cocrystals of lamotrigine with isomeric bipyridines and in situ monitoring of the cocrystallization.

PubMed

Du, Shichao; Wang, Yan; Wu, Songgu; Yu, Bo; Shi, Peng; Bian, Lin; Zhang, Dejiang; Hou, Jie; Wang, Jingkang; Gong, Junbo

2017-12-15

Crystal engineering strategy was applied to develop new solid forms of lamotrigine. Two novel cocrystals of lamotrigine forming with 4,4'-bipyridine (2:1) and 2,2'-bipyridine cocrystal (1:1.5) were successfully obtained by neat grinding and liquid assisted grinding. The novel cocrystals were fully characterized and confirmed by X-ray diffraction, thermal and spectroscopic analysis. DXRxi Raman microscope was also used to identify the cocrystals. The factors such as solvent and the structure of coformers which influenced the cocrystal formation were discussed. Furthermore, the novel cocrystals were both obtained by slurry crystallization. Process analytical technologies including focused beam reflectance measurement and attenuated total reflectance Fourier Transform Infrared were applied to investigate the cocrystallization process and the mechanism. HPLC analysis showed that the dissolution rate and the solubility of the two novel cocrystals were both improved. Copyright © 2017 Elsevier B.V. All rights reserved.

Attenuated Total Reflection Fourier Transform Infrared (ATR FT-IR) Spectroscopy as an Analytical Method to Investigate the Secondary Structure of a Model Protein Embedded in Solid Lipid Matrices.

PubMed

Zeeshan, Farrukh; Tabbassum, Misbah; Jorgensen, Lene; Medlicott, Natalie J

2018-02-01

Protein drugs may encounter conformational perturbations during the formulation processing of lipid-based solid dosage forms. In aqueous protein solutions, attenuated total reflection Fourier transform infrared (ATR FT-IR) spectroscopy can investigate these conformational changes following the subtraction of spectral interference of solvent with protein amide I bands. However, in solid dosage forms, the possible spectral contribution of lipid carriers to protein amide I band may be an obstacle to determine conformational alterations. The objective of this study was to develop an ATR FT-IR spectroscopic method for the analysis of protein secondary structure embedded in solid lipid matrices. Bovine serum albumin (BSA) was chosen as a model protein, while Precirol AT05 (glycerol palmitostearate, melting point 58 ℃) was employed as the model lipid matrix. Bovine serum albumin was incorporated into lipid using physical mixing, melting and mixing, or wet granulation mixing methods. Attenuated total reflection FT-IR spectroscopy and size exclusion chromatography (SEC) were performed for the analysis of BSA secondary structure and its dissolution in aqueous media, respectively. The results showed significant interference of Precirol ATO5 with BSA amide I band which was subtracted up to 90% w/w lipid content to analyze BSA secondary structure. In addition, ATR FT-IR spectroscopy also detected thermally denatured BSA solid alone and in the presence of lipid matrix indicating its suitability for the detection of denatured protein solids in lipid matrices. Despite being in the solid state, conformational changes occurred to BSA upon incorporation into solid lipid matrices. However, the extent of these conformational alterations was found to be dependent on the mixing method employed as indicated by area overlap calculations. For instance, the melting and mixing method imparted negligible effect on BSA secondary structure, whereas the wet granulation mixing method promoted more changes. Size exclusion chromatography analysis depicted the complete dissolution of BSA in the aqueous media employed in the wet granulation method. In conclusion, an ATR FT-IR spectroscopic method was successfully developed to investigate BSA secondary structure in solid lipid matrices following the subtraction of lipid spectral interference. The ATR FT-IR spectroscopy could further be applied to investigate the secondary structure perturbations of therapeutic proteins during their formulation development.

Investigating a physical basis for spectroscopic estimates of leaf nitrogen concentration

USGS Publications Warehouse

Kokaly, R.F.

2001-01-01

The reflectance spectra of dried and ground plant foliage are examined for changes directly due to increasing nitrogen concentration. A broadening of the 2.1-??m absorption feature is observed as nitrogen concentration increases. The broadening is shown to arise from two absorptions at 2.054 ??m and 2.172 ??m. The wavelength positions of these absorptions coincide with the absorption characteristics of the nitrogen-containing amide bonds in proteins. The observed presence of these absorption features in the reflectance spectra of dried foliage is suggested to form a physical basis for high correlations established by stepwise multiple linear regression techniques between the reflectance of dry plant samples and their nitrogen concentration. The consistent change in the 2.1-??m absorption feature as nitrogen increases and the offset position of protein absorptions compared to those of other plant components together indicate that a generally applicable algorithm may be developed for spectroscopic estimates of nitrogen concentration from the reflectance spectra of dried plant foliage samples. ?? 2001 Published by Elsevier Science Ireland Ltd.

Spectroscopic refractometer for transparent and absorbing liquids by reflection of white light near the critical angle

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

Sanchez-Perez, C.; Garcia-Valenzuela, A.

2012-11-15

We propose and evaluate a spectroscopic refractometer device to measure the refractive index dispersion of transparent and absorbing solutions. The angle-dependent reflectivity of a white beam of light in an internal reflection configuration around the critical angle is spectrally analyzed. The refractive index in a wavelength range from 400 nm to 900 nm is obtained from the angle-reflectivity curve around the critical angle at each wavelength. The device does not use angle scanning mechanisms, decreasing considerably the complexity of the instrument in comparison to previous proposals. As a result, the measurements are obtained relatively fast. Nevertheless, a good experimental resolutionmore » in refractive index of about {Delta}n Almost-Equal-To 10{sup -4} at all the wavelengths is achieved in the case of transparent solutions. The calibration procedure of the device is discussed in detail. We also present measurements of the refractive index dispersion of rhodamine 6G-methanol solutions, which has a strong absorption band in the visible spectra.« less

Glucose Oxidase Adsorption on Sequential Adsorbed Polyelectrolyte Films Studied by Spectroscopic Techniques

NASA Astrophysics Data System (ADS)

Tristán, Ferdinando; Solís, Araceli; Palestino, Gabriela; Gergely, Csilla; Cuisinier, Frédéric; Pérez, Elías

2005-04-01

The adsorption of Glucose Oxidase (GOX) on layers of poly(allylamine hydrochloride) (PAH) and poly(acrylic acid) (PAA) deposited on Sequentially Adsorbed Polyelectrolyte Films (SAPFs) were studied by three different spectroscopic techniques. These techniques are: Optical Wave Light Spectroscopy (OWLS) to measure surface density; Fluorescence Resonance Energy Transfer (FRET) to verify the adsorption of GOX on the surface; and Fourier Transform Infrared Spectroscopy in Attenuated Total Reflection mode (FTIR-HATR) to inspect local structure of polyelectrolytes and GOX. Two positive and two negative polyelectrolytes are used: Cationic poly(ethyleneimine) (PEI) and poly(allylamine hydrochloride) (PAH) and anionic poly(sodium 4-styrene sulfonate) (PSS) and poly(acrylic acid) (PAA). These spectroscopic techniques do not require any labeling for GOX or SAPFs, specifically GOX and PSS are naturally fluorescent and are used as a couple donor-acceptor for the FRET technique. The SAPFs are formed by a (PEI)-(PSS/PAH)2 film followed by (PAA/PAH)n bilayers. GOX is finally deposited on top of SAPFs at different values of n (n=1..5). Our results show that GOX is adsorbed on positive ended SAPFs forming a monolayer. Contrary, GOX adsorption is not observed on negative ended film polyelectrolyte. GOX stability was tested adding a positive and a negative polyelectrolyte after GOX adsorption. Protein is partially removed by PAH and PAA, with lesser force by PAA.

Accumulating the hydride state in the catalytic cycle of [FeFe]-hydrogenases

NASA Astrophysics Data System (ADS)

Winkler, Martin; Senger, Moritz; Duan, Jifu; Esselborn, Julian; Wittkamp, Florian; Hofmann, Eckhard; Apfel, Ulf-Peter; Stripp, Sven Timo; Happe, Thomas

2017-07-01

H2 turnover at the [FeFe]-hydrogenase cofactor (H-cluster) is assumed to follow a reversible heterolytic mechanism, first yielding a proton and a hydrido-species which again is double-oxidized to release another proton. Three of the four presumed catalytic intermediates (Hox, Hred/Hred and Hsred) were characterized, using various spectroscopic techniques. However, in catalytically active enzyme, the state containing the hydrido-species, which is eponymous for the proposed heterolytic mechanism, has yet only been speculated about. We use different strategies to trap and spectroscopically characterize this transient hydride state (Hhyd) for three wild-type [FeFe]-hydrogenases. Applying a novel set-up for real-time attenuated total-reflection Fourier-transform infrared spectroscopy, we monitor compositional changes in the state-specific infrared signatures of [FeFe]-hydrogenases, varying buffer pH and gas composition. We selectively enrich the equilibrium concentration of Hhyd, applying Le Chatelier's principle by simultaneously increasing substrate and product concentrations (H2/H+). Site-directed manipulation, targeting either the proton-transfer pathway or the adt ligand, significantly enhances Hhyd accumulation independent of pH.

Advances in spectroscopic methods for quantifying soil carbon

USGS Publications Warehouse

Reeves, James B.; McCarty, Gregory W.; Calderon, Francisco; Hively, W. Dean

2012-01-01

The current gold standard for soil carbon (C) determination is elemental C analysis using dry combustion. However, this method requires expensive consumables, is limited by the number of samples that can be processed (~100/d), and is restricted to the determination of total carbon. With increased interest in soil C sequestration, faster methods of analysis are needed, and there is growing interest in methods based on diffuse reflectance spectroscopy in the visible, near-infrared or mid-infrared spectral ranges. These spectral methods can decrease analytical requirements and speed sample processing, be applied to large landscape areas using remote sensing imagery, and be used to predict multiple analytes simultaneously. However, the methods require localized calibrations to establish the relationship between spectral data and reference analytical data, and also have additional, specific problems. For example, remote sensing is capable of scanning entire watersheds for soil carbon content but is limited to the surface layer of tilled soils and may require difficult and extensive field sampling to obtain proper localized calibration reference values. The objective of this chapter is to discuss the present state of spectroscopic methods for determination of soil carbon.

Microscale Syntheses, Reactions, and 1H NMR Spectroscopic Investigations of Square Planar Macrocyclic Tetraamido-N Cu(III) Complexes Relevant to Green Chemistry

ERIC Educational Resources Information Center

Uffelman, Erich S.; Doherty, Jonathan R.; Schulze, Carl; Burke, Amy L.; Bonnema, Kristen R.; Watson, Tanya T.; Lee, Daniel W., III

2004-01-01

Microscale fusions, description, and spectroscopic analysis of the reactivity of a square planar Cu(III) complex significant to green chemistry, are presented. The experiment also includes nine focal points on which pre-lab and post-lab questions are based, and the final exams reflect the students' comprehension of these and other features of…

Spectroscopic ellipsometry and polarimetry for materials and systems analysis at the nanometer scale: state-of-the-art, potential, and perspectives

PubMed Central

Bergmair, Michael; Bruno, Giovanni; Cattelan, Denis; Cobet, Christoph; de Martino, Antonello; Fleischer, Karsten; Dohcevic-Mitrovic, Zorana; Esser, Norbert; Galliet, Melanie; Gajic, Rados; Hemzal, Dušan; Hingerl, Kurt; Humlicek, Josef; Ossikovski, Razvigor; Popovic, Zoran V.; Saxl, Ottilia

2009-01-01

This paper discusses the fundamentals, applications, potential, limitations, and future perspectives of polarized light reflection techniques for the characterization of materials and related systems and devices at the nanoscale. These techniques include spectroscopic ellipsometry, polarimetry, and reflectance anisotropy. We give an overview of the various ellipsometry strategies for the measurement and analysis of nanometric films, metal nanoparticles and nanowires, semiconductor nanocrystals, and submicron periodic structures. We show that ellipsometry is capable of more than the determination of thickness and optical properties, and it can be exploited to gain information about process control, geometry factors, anisotropy, defects, and quantum confinement effects of nanostructures. PMID:21170135

Mueller matrix spectroscopic ellipsometry study of chiral nanocrystalline cellulose films

NASA Astrophysics Data System (ADS)

Mendoza-Galván, Arturo; Muñoz-Pineda, Eloy; Ribeiro, Sidney J. L.; Santos, Moliria V.; Järrendahl, Kenneth; Arwin, Hans

2018-02-01

Chiral nanocrystalline cellulose (NCC) free-standing films were prepared through slow evaporation of aqueous suspensions of cellulose nanocrystals in a nematic chiral liquid crystal phase. Mueller matrix (MM) spectroscopic ellipsometry is used to study the polarization and depolarization properties of the chiral films. In the reflection mode, the MM is similar to the matrices reported for the cuticle of some beetles reflecting near circular left-handed polarized light in the visible range. The polarization properties of light transmitted at normal incidence for different polarization states of incident light are discussed. By using a differential decomposition of the MM, the structural circular birefringence and dichroism of a NCC chiral film are evaluated.

Comparison of Attenuated Total Reflectance Mid-Infrared, Near Infrared, and 1H-Nuclear Magnetic Resonance Spectroscopies for the Determination of Coffee's Geographical Origin.

PubMed

Medina, Jessica; Caro Rodríguez, Diana; Arana, Victoria A; Bernal, Andrés; Esseiva, Pierre; Wist, Julien

2017-01-01

The sensorial properties of Colombian coffee are renowned worldwide, which is reflected in its market value. This raises the threat of fraud by adulteration using coffee grains from other countries, thus creating a demand for robust and cost-effective methods for the determination of geographical origin of coffee samples. Spectroscopic techniques such as Nuclear Magnetic Resonance (NMR), near infrared (NIR), and mid-infrared (mIR) have arisen as strong candidates for the task. Although a body of work exists that reports on their individual performances, a faithful comparison has not been established yet. We evaluated the performance of 1 H-NMR, Attenuated Total Reflectance mIR (ATR-mIR), and NIR applied to fraud detection in Colombian coffee. For each technique, we built classification models for discrimination by species ( C. arabica versus C. canephora (or robusta )) and by origin (Colombia versus other C. arabica ) using a common set of coffee samples. All techniques successfully discriminated samples by species, as expected. Regarding origin determination, ATR-mIR and 1 H-NMR showed comparable capacity to discriminate Colombian coffee samples, while NIR fell short by comparison. In conclusion, ATR-mIR, a less common technique in the field of coffee adulteration and fraud detection, emerges as a strong candidate, faster and with lower cost compared to 1 H-NMR and more discriminating compared to NIR.

Near infrared photometric and optical spectroscopic study of 22 low mass star clusters embedded in nebulae

NASA Astrophysics Data System (ADS)

Soares, J. B.; Bica, E.; Ahumada, A. V.; Clariá, J. J.

2008-02-01

Aims:Among the star clusters in the Galaxy, those embedded in nebulae represent the youngest group, which has only recently been explored. The analysis of a sample of 22 candidate embedded stellar systems in reflection nebulae and/or HII environments is presented. Methods: We employed optical spectroscopic observations of stars in the directions of the clusters carried out at CASLEO (Argentina) together with near infrared photometry from the 2MASS catalogue. Our analysis is based on source surface density, colour-colour diagrams and on theoretical pre-main sequence isochrones. We take into account the field star contamination by carrying out a statistical subtraction. Results: The studied objects have the characteristics of low mass systems. We derive their fundamental parameters. Most of the cluster ages are younger than 2 Myr. The studied embedded stellar systems in reflection nebulae and/or HII region complexes do not have stars of spectral types earlier than B. The total stellar masses locked in the clusters are in the range 20-220 M⊙. They are found to be gravitationally unstable and are expected to dissolve in a timescale of a few Myr. Based on observations made at Complejo Astronómico El Leoncito, which is operated under agreement between the Consejo Nacional de Investigaciones Científicas y Técnicas de la República Argentina and the National Universities of La Plata, Córdoba and San Juan, Argentina.

Small-volume, ultrahigh-vacuum-compatible high-pressure reaction cell for combined kinetic and in situ IR spectroscopic measurements on planar model catalysts

NASA Astrophysics Data System (ADS)

Zhao, Z.; Diemant, T.; Häring, T.; Rauscher, H.; Behm, R. J.

2005-12-01

We describe the design and performance of a high-pressure reaction cell for simultaneous kinetic and in situ infrared reflection (IR) spectroscopic measurements on model catalysts at elevated pressures, between 10-3 and 103mbars, which can be operated both as batch reactor and as flow reactor with defined gas flow. The cell is attached to an ultrahigh-vacuum (UHV) system, which is used for sample preparation and also contains facilities for sample characterization. Specific for this design is the combination of a small cell volume, which allows kinetic measurements with high sensitivity under batch or continuous flow conditions, the complete isolation of the cell from the UHV part during UHV measurements, continuous temperature control during both UHV and high-pressure operation, and rapid transfer between UHV and high-pressure stage. Gas dosing is performed by a designed gas-handling system, which allows operation as flow reactor with calibrated gas flows at adjustable pressures. To study the kinetics of reactions on the model catalysts, a quadrupole mass spectrometer is connected to the high-pressure cell. IR measurements are possible in situ by polarization-modulation infrared reflection-absorption spectroscopy, which also allows measurements at elevated pressures. The performance of the setup is demonstrated by test measurements on the kinetics for CO oxidation and the CO adsorption on a Au /TiO2/Ru(0001) model catalyst film at 1-50 mbar total pressure.

Identification and classification of chemicals using terahertz reflective spectroscopic focal-plane imaging system.

PubMed

Zhong, Hua; Redo-Sanchez, Albert; Zhang, X-C

2006-10-02

We present terahertz (THz) reflective spectroscopic focal-plane imaging of four explosive and bio-chemical materials (2, 4-DNT, Theophylline, RDX and Glutamic Acid) at a standoff imaging distance of 0.4 m. The 2 dimension (2-D) nature of this technique enables a fast acquisition time and is very close to a camera-like operation, compared to the most commonly used point emission-detection and raster scanning configuration. The samples are identified by their absorption peaks extracted from the negative derivative of the reflection coefficient respect to the frequency (-dr/dv) of each pixel. Classification of the samples is achieved by using minimum distance classifier and neural network methods with a rate of accuracy above 80% and a false alarm rate below 8%. This result supports the future application of THz time-domain spectroscopy (TDS) in standoff distance sensing, imaging, and identification.

Recent spectroscopic findings concerning clay/water interactions at low humidity: Possible applications to models of Martian surface reactivity

NASA Technical Reports Server (NTRS)

Coyne, L.; Bishop, J.; Howard, L.; Scattergood, T. W.

1991-01-01

A feasibility study assessing the utility of the adaptation of near infrared correlation spectroscopy to quantifying iron and adsorbed water in some clay-based Mars soil analog materials (MarSAM's). The work was intended to constitute Phase 1 of an approach to identifying optical analytical wavelength regions, not only for important mineral classes, but for chemically active centers within them. Many of these centers are common to unrelated mineral classes and of disproportionate influence relative to the mineral structure as a whole in determining the surface reactivity of mineral surfaces. We previously reported linearity between reflectance and total iron and total moisture over a large range of both key variables. We also discovered interesting relationships between the intensity of iron bands and the relative humidity of the systems. These relationships were confirmed. We also show that, in the low humidity range, reflectance is linearly dependent on a different kind of water from that best representing the full humidity range (the kind of water associated, in clays, with surface acidity). These relationships and the sensitivity and capability of quantitation of near infrared data indicate high promise with the production of reactive surface intermediates of products of surface reactions.

Nondestructive NIR reflectance spectroscopic method for rapid fatty acid analysis of peanut seeds

USDA-ARS?s Scientific Manuscript database

NIR reflectance spectroscopy was used to analyze the fatty acid concentration present in breeder's peanut seeds samples, rapidly and nondestructively. Absorbance spectra were collected in the wavelength range from 400 nm to 2500 nm using a NIR spectrometer. Fatty acids, oleic, linoleic and palmitic ...

Dynamic refractometer

NASA Technical Reports Server (NTRS)

Curley, Michael J. (Inventor); Sarkisov, Sergey S. (Inventor)

2008-01-01

A refractometer computer controls the rotation of a rotary plate upon which are mounted a prism optically coupled via an optical window to a spectroscopic cell holding a resin exhibiting a dynamic refractive index during photocuring. The computer system positions the prism and spectroscopic cell relative to a visible light laser which illuminates the prism-resin interface at selected incidence angles. A photodetector mounted on the plate generates a signal to the computer proportional to intensity of an internally reflected light beam. A curing light is selectively transmitted through the prism and into the photocurable resin. The refractometer determines the intensity of the internally reflected beam a selected incidence angles and determines the effective refractive index curve of the resin at an uncured state and, optionally, at a completely cured state. Next, an amount of uncured resin and selected optical components to be joined by the resin is placed in the spectroscopic cell and irradiated with the UV light. The refractometer is fixed at a selected incidence angle and measures the intensity of an internally reflected light beam of light throughout the cure cycle. The refractometer determines the resin's refractive index of the polymeric mixture by means of extrapolation of a horizontal shift in the effective refractive index curve of the resin from an uncured state to a selected point in the cure cycle.

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.

Quantitative analysis of binary polymorphs mixtures of fusidic acid by diffuse reflectance FTIR spectroscopy, diffuse reflectance FT-NIR spectroscopy, Raman spectroscopy and multivariate calibration.

PubMed

Guo, Canyong; Luo, Xuefang; Zhou, Xiaohua; Shi, Beijia; Wang, Juanjuan; Zhao, Jinqi; Zhang, Xiaoxia

2017-06-05

Vibrational spectroscopic techniques such as infrared, near-infrared and Raman spectroscopy have become popular in detecting and quantifying polymorphism of pharmaceutics since they are fast and non-destructive. This study assessed the ability of three vibrational spectroscopy combined with multivariate analysis to quantify a low-content undesired polymorph within a binary polymorphic mixture. Partial least squares (PLS) regression and support vector machine (SVM) regression were employed to build quantitative models. Fusidic acid, a steroidal antibiotic, was used as the model compound. It was found that PLS regression performed slightly better than SVM regression in all the three spectroscopic techniques. Root mean square errors of prediction (RMSEP) were ranging from 0.48% to 1.17% for diffuse reflectance FTIR spectroscopy and 1.60-1.93% for diffuse reflectance FT-NIR spectroscopy and 1.62-2.31% for Raman spectroscopy. The results indicate that diffuse reflectance FTIR spectroscopy offers significant advantages in providing accurate measurement of polymorphic content in the fusidic acid binary mixtures, while Raman spectroscopy is the least accurate technique for quantitative analysis of polymorphs. Copyright © 2017 Elsevier B.V. All rights reserved.

Spectroscopic study of the dehydration and/or dehydroxylation of phyllosilicate and zeolite minerals

NASA Astrophysics Data System (ADS)

Che, Congcong; Glotch, Timothy D.; Bish, David L.; Michalski, Joseph R.; Xu, Wenqian

2011-05-01

Phyllosilicates on Mars mapped by infrared spectroscopic techniques could have been affected by dehydration and/or dehydroxylation associated with chemical weathering in hyperarid conditions, volcanism or shock heating associated with meteor impact. The effects of heat-induced dehydration and/or dehydroxylation on the infrared spectra of 14 phyllosilicates from four structural groups (kaolinite, smectite, sepiolite-palygorskite, and chlorite) and two natural zeolites are reported here. Pressed powders of size-separated phyllosilicate and natural zeolite samples were heated incrementally from 100°C to 900°C, cooled to room temperature, and measured using multiple spectroscopic techniques: midinfrared (400-4000 cm-1) attenuated total reflectance, midinfrared reflectance (400-1400 cm-1), and far-infrared reflectance (50-600 cm-1) spectroscopies. Correlated thermogravimetric analysis and X-ray diffraction data were also acquired in order to clarify the thermal transformation of each sample. For phyllosilicate samples, the OH stretching (˜3600 cm-1), OH bending (˜590-950 cm-1), and/or H2O bending (˜1630 cm-1) bands all become very weak or completely disappear upon heating to temperatures > 500°C. The spectral changes associated with SiO4 vibrations (˜1000 cm-1 and ˜500 cm-1) show large variations depending on the compositions and structures of phyllosilicates. The thermal behavior of phyllosilicate IR spectra is also affected by the type of octahedral cations. For example, spectral features of Al3+-rich smectites are more stable than those of Fe3+-rich smectites. The high-temperature (>800°C) spectral changes of trioctahedral Mg2+-rich phyllosilicates such as hectorite, saponite, and sepiolite result primarily from crystallization of enstatite. Phyllosilicates with moderate Mg2+ concentration (e.g., palygorskite, clinochlore) and dioctahedral montmorillonites (e.g., SAz-1 and SCa-3) with partial Mg2+-for-Al3+ substitution all have new spectral feature developed at ˜900 cm-1 upon heating to 800°C. Compared with phyllosilicates, spectral features of two natural zeolites, clinoptilolite and mordenite, are less affected by thermal treatments. Even after heating to 900°C, the IR spectral features attributed to Si (Al)-O stretching and bending vibration modes do not show significant differences from those of unheated zeolites.

Accelerated echo-planar J-resolved spectroscopic imaging in the human brain using compressed sensing: a pilot validation in obstructive sleep apnea.

PubMed

Sarma, M K; Nagarajan, R; Macey, P M; Kumar, R; Villablanca, J P; Furuyama, J; Thomas, M A

2014-06-01

Echo-planar J-resolved spectroscopic imaging is a fast spectroscopic technique to record the biochemical information in multiple regions of the brain, but for clinical applications, time is still a constraint. Investigations of neural injury in obstructive sleep apnea have revealed structural changes in the brain, but determining the neurochemical changes requires more detailed measurements across multiple brain regions, demonstrating a need for faster echo-planar J-resolved spectroscopic imaging. Hence, we have extended the compressed sensing reconstruction of prospectively undersampled 4D echo-planar J-resolved spectroscopic imaging to investigate metabolic changes in multiple brain locations of patients with obstructive sleep apnea and healthy controls. Nonuniform undersampling was imposed along 1 spatial and 1 spectral dimension of 4D echo-planar J-resolved spectroscopic imaging, and test-retest reliability of the compressed sensing reconstruction of the nonuniform undersampling data was tested by using a brain phantom. In addition, 9 patients with obstructive sleep apnea and 11 healthy controls were investigated by using a 3T MR imaging/MR spectroscopy scanner. Significantly reduced metabolite differences were observed between patients with obstructive sleep apnea and healthy controls in multiple brain regions: NAA/Cr in the left hippocampus; total Cho/Cr and Glx/Cr in the right hippocampus; total NAA/Cr, taurine/Cr, scyllo-Inositol/Cr, phosphocholine/Cr, and total Cho/Cr in the occipital gray matter; total NAA/Cr and NAA/Cr in the medial frontal white matter; and taurine/Cr and total Cho/Cr in the left frontal white matter regions. The 4D echo-planar J-resolved spectroscopic imaging technique using the nonuniform undersampling-based acquisition and compressed sensing reconstruction in patients with obstructive sleep apnea and healthy brain is feasible in a clinically suitable time. In addition to brain metabolite changes previously reported by 1D MR spectroscopy, our results show changes of additional metabolites in patients with obstructive sleep apnea compared with healthy controls. © 2014 by American Journal of Neuroradiology.

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.

Applications of Quantum Cascade Laser Spectroscopy in the Analysis of Pharmaceutical Formulations.

PubMed

Galán-Freyle, Nataly J; Pacheco-Londoño, Leonardo C; Román-Ospino, Andrés D; Hernandez-Rivera, Samuel P

2016-09-01

Quantum cascade laser spectroscopy was used to quantify active pharmaceutical ingredient content in a model formulation. The analyses were conducted in non-contact mode by mid-infrared diffuse reflectance. Measurements were carried out at a distance of 15 cm, covering the spectral range 1000-1600 cm(-1) Calibrations were generated by applying multivariate analysis using partial least squares models. Among the figures of merit of the proposed methodology are the high analytical sensitivity equivalent to 0.05% active pharmaceutical ingredient in the formulation, high repeatability (2.7%), high reproducibility (5.4%), and low limit of detection (1%). The relatively high power of the quantum-cascade-laser-based spectroscopic system resulted in the design of detection and quantification methodologies for pharmaceutical applications with high accuracy and precision that are comparable to those of methodologies based on near-infrared spectroscopy, attenuated total reflection mid-infrared Fourier transform infrared spectroscopy, and Raman spectroscopy. © The Author(s) 2016.

Spin-orbit effects on reflectance anisotropy spectroscopy of aclean CdTe(001) surface

NASA Astrophysics Data System (ADS)

Vázquez-Nava, Raül A.

2005-03-01

The spectroscopical reflectance anisotropy (RA) response of a clean (001) surface of CdTe, which exhibits a c(2 x2) surface reconstruction, is studied using a microscopic formulation based on a semi-empirical tight binding approach (SETB) which includes the spin-orbit (SO) interaction. Following Ref. 1, we apply an unitary transformation to the usual SETB sp^3s^* basis to describe the electronic states in terms of a set of atomic states which are eigenstates of the total angular momentum (TAM). These states are better suited to treat the SO interaction in this model, and their use in the computation of the RA signal is straightforward [1]. We show how the RA changes when SO is taken into account and compare our theoretical results with experimental measurements of Ref. 2. [1] R.A. V'azquez-Nava, B.S. Mendoza and C. Castillo, Phys. Rev. B 70, 165306 (2004). [2] J. R. Molina and R. Espinosa-Luna, J. Phys. D: Appl. Phys. (2004), accepted.

Spectroscopic characterization of dissolved organic matter in coking wastewater during bio-treatment: full-scale plant study.

PubMed

Xu, Ronghua; Ou, Huase; Yu, Xubiao; He, Runsheng; Lin, Chong; Wei, Chaohai

2015-01-01

This paper taking a full-scale coking wastewater (CWW) treatment plant as a case study aimed to characterize removal behaviors of dissolved organic matter (DOM) by UV spectra and fluorescence excitation-emission matrix-parallel factor analysis (PARAFAC), and investigate the correlations between spectroscopic indices and water quality parameters. Efficient removal rates of chemical oxygen demand (COD), dissolved organic carbon (DOC) and total nitrogen (TN) after the bio-treatment were 91.3%, 87.3% and 69.1%, respectively. UV270 was proven to be a stable UV absorption peak of CWW that could reflect the mixture of phenols, heterocyclics, polynuclear aromatic hydrocarbons and their derivatives. Molecular weight and aromaticity were increased, and also the content of polar functional groups was greatly reduced after bio-treatment. Three fluorescent components were identified by PARAFAC: C1 (tyrosine-like), C2 (tryptophan-like) and C3 (humic-like). The removal rate of protein-like was higher than that of humic-like and C1 was identified as biodegradable substance. Correlation analysis showed UV270 had an excellent correlation with COD (r=0.921, n=60, P<0.01) and DOC (r=0.959, n=60, P<0.01) and significant correlation (r=0.875, n=60, P<0.01) was also found between C2 and TN. Therefore, spectroscopic characterization could provide novel insights into removal behaviors of DOM and potential to monitor water quality real-time during CWW bio-treatment.

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.

Living Matter Observations with a Novel Hyperspectral Supercontinuum Confocal Microscope for VIS to Near-IR Reflectance Spectroscopy

PubMed Central

Bertani, Francesca R.; Ferrari, Luisa; Mussi, Valentina; Botti, Elisabetta; Costanzo, Antonio; Selci, Stefano

2013-01-01

A broad range hyper-spectroscopic microscope fed by a supercontinuum laser source and equipped with an almost achromatic optical layout is illustrated with detailed explanations of the design, implementation and data. The real novelty of this instrument, a confocal spectroscopic microscope capable of recording high resolution reflectance data in the VIS-IR spectral range from about 500 nm to 2.5 μm wavelengths, is the possibility of acquiring spectral data at every physical point as defined by lateral coordinates, X and Y, as well as at a depth coordinate, Z, as obtained by the confocal optical sectioning advantage. With this apparatus we collect each single scanning point as a whole spectrum by combining two linear spectral detector arrays, one CCD for the visible range, and one InGaAs infrared array, simultaneously available at the sensor output channel of the home made instrument. This microscope has been developed for biomedical analysis of human skin and other similar applications. Results are shown illustrating the technical performances of the instrument and the capability in extracting information about the composition and the structure of different parts or compartments in biological samples as well as in solid statematter. A complete spectroscopic fingerprinting of samples at microscopic level is shown possible by using statistical analysis on raw data or analytical reflectance models based on Abelés matrix transfer methods. PMID:24233077

Nondestructive Handheld Fourier Transform Infrared (FT-IR) Analysis of Spectroscopic Changes and Multivariate Modeling of Thermally Degraded Plain Portland Cement Concrete and its Slag and Fly Ash-Based Analogs.

PubMed

Leung Tang, Pik; Alqassim, Mohammad; Nic Daéid, Niamh; Berlouis, Leonard; Seelenbinder, John

2016-05-01

Concrete is by far the world's most common construction material. Modern concrete is a mixture of industrial pozzolanic cement formulations and aggregate fillers. The former acts as the glue or binder in the final inorganic composite; however, when exposed to a fire the degree of concrete damage is often difficult to evaluate nondestructively. Fourier transform infrared (FT-IR) spectroscopy through techniques such as transmission, attenuated total reflectance, and diffuse reflectance have been rarely used to evaluate thermally damaged concrete. In this paper, we report on a study assessing the thermal damage of concrete via the use of a nondestructive handheld FT-IR with a diffuse reflectance sample interface. In situ measurements can be made on actual damaged areas, without the need for sample preparation. Separate multivariate models were developed to determine the equivalent maximal temperature endured for three common industrial concrete formulations. The concrete mixtures were successfully modeled displaying high predictive power as well as good specificity. This has potential uses in forensic investigation and remediation services particularly for fires in buildings. © The Author(s) 2016.

Optical characterization of agricultural pest insects: a methodological study in the spectral and time domains

NASA Astrophysics Data System (ADS)

Li, Y. Y.; Zhang, H.; Duan, Z.; Lian, M.; Zhao, G. Y.; Sun, X. H.; Hu, J. D.; Gao, L. N.; Feng, H. Q.; Svanberg, S.

2016-08-01

Identification of agricultural pest insects is an important aspect in insect research and agricultural monitoring. We have performed a methodological study of how spectroscopic techniques and wing-beat frequency analysis might provide relevant information. An optical system based on the combination of close-range remote sensing and reflectance spectroscopy was developed to study the optical characteristics of different flying insects, collected in Southern China. The results demonstrate that the combination of wing-beat frequency assessment and reflectance spectral analysis has the potential to successfully differentiate between insect species. Further, studies of spectroscopic characteristics of fixed specimen of insects, also from Central China, showed the possibility of refined agricultural pest identification. Here, in addition to reflectance recordings also laser-induced fluorescence spectra were investigated for all the species of insects under study and found to provide complementary information to optically distinguish insects. In order to prove the practicality of the techniques explored, clearly fieldwork aiming at elucidating the variability of parameters, even within species, must be performed.

Hydrolysis of Baltic amber during thermal ageing--an infrared spectroscopic approach.

PubMed

Pastorelli, Gianluca; Shashoua, Yvonne; Richter, Jane

2013-04-01

To enable conservation of amber in museums, understanding of chemical changes is crucial. While oxidation has been investigated particularly well for this natural polymer, further degradation phenomena in relation to humidity and pollutants are poorly studied or still unknown. Attenuated total reflectance-Fourier transform infrared spectroscopy was explored with regard to Baltic amber. A systematic spectroscopic survey of a wide range of thermally aged model amber samples, exposed to different microclimatic conditions, showed significant changes in their spectra. Samples aged in a humid and acidic environment or exposed to a humid and alkaline atmosphere generally exhibited a higher absorbance intensity of carbonyl groups at frequencies assigned to acids than unaged samples, samples aged in drier conditions and samples immersed in an alkaline solution. Baltic amber comprises succinate ester, which may be hydrolysed into communol and succinic acid. The survey thus provided evidence about the progress of hydrolytic reactions during degradation of Baltic amber. Infrared spectroscopy was shown to have significant potential for providing qualitative and quantitative chemical information on hydrolysis of amber, which will be of interest for the development of preventive conservation techniques for museum collections of amber objects. Copyright © 2013 Elsevier B.V. All rights reserved.

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.

Mid-Infrared Spectroscopic Method for the Identification and Quantification of Dissolved Oil Components in Marine Environments.

PubMed

Stach, Robert; Pejcic, Bobby; Crooke, Emma; Myers, Matthew; Mizaikoff, Boris

2015-12-15

The use of mid-infrared sensors based on conventional spectroscopic equipment for oil spill monitoring and fingerprinting in aqueous systems has to date been mainly confined to laboratory environments. This paper presents a portable-based mid-infrared attenuated total reflectance (MIR-ATR) sensor system that was used to quantify a number of environmentally relevant hydrocarbon contaminants in marine water. The sensor comprises a polymer-coated diamond waveguide in combination with a room-temperature operated pyroelectric detector, and the analytical performance was optimized by evaluating the influence of polymer composition, polymer film thickness, and solution flow rate on the sensor response. Uncertainties regarding the analytical performance and instrument specifications for dissolved oil detection were investigated using real-world seawater matrices. The reliability of the sensor was tested by exposition to known volumes of different oils; crude oil and diesel samples were equilibrated with seawater and then analyzed using the developed MIR-ATR sensor system. For validation, gas chromatographic measurements were performed revealing that the MIR-ATR sensor is a promising on-site monitoring tool for determining the concentration of a range of dissolved oil components in seawater at ppb to ppm levels.

Comparison of Attenuated Total Reflectance Mid-Infrared, Near Infrared, and 1H-Nuclear Magnetic Resonance Spectroscopies for the Determination of Coffee's Geographical Origin

PubMed Central

Caro Rodríguez, Diana; Arana, Victoria A.; Bernal, Andrés; Esseiva, Pierre

2017-01-01

The sensorial properties of Colombian coffee are renowned worldwide, which is reflected in its market value. This raises the threat of fraud by adulteration using coffee grains from other countries, thus creating a demand for robust and cost-effective methods for the determination of geographical origin of coffee samples. Spectroscopic techniques such as Nuclear Magnetic Resonance (NMR), near infrared (NIR), and mid-infrared (mIR) have arisen as strong candidates for the task. Although a body of work exists that reports on their individual performances, a faithful comparison has not been established yet. We evaluated the performance of 1H-NMR, Attenuated Total Reflectance mIR (ATR-mIR), and NIR applied to fraud detection in Colombian coffee. For each technique, we built classification models for discrimination by species (C. arabica versus C. canephora (or robusta)) and by origin (Colombia versus other C. arabica) using a common set of coffee samples. All techniques successfully discriminated samples by species, as expected. Regarding origin determination, ATR-mIR and 1H-NMR showed comparable capacity to discriminate Colombian coffee samples, while NIR fell short by comparison. In conclusion, ATR-mIR, a less common technique in the field of coffee adulteration and fraud detection, emerges as a strong candidate, faster and with lower cost compared to 1H-NMR and more discriminating compared to NIR. PMID:29201055

Review of methodology and technology available for the detection of extrasolar planetary systems

NASA Technical Reports Server (NTRS)

Tarter, J. C.; Black, D. C.; Billingham, J.

1985-01-01

Four approaches exist for the detection of extrasolar planets. According to the only direct method, the planet is imaged at some wavelength in a manner which makes it possible to differentiate its own feeble luminosity (internal energy source plus reflected starlight) from that of the nearby host star. The three indirect methods involve the detection of a planetary mass companion on the basis of the observable effects it has on the host star. A search is conducted regarding the occurrence of regular, periodic changes in the stellar spatial motion (astrometric method) or the velocity of stellar emission line spectra (spectroscopic method) or in the apparent total stellar luminosity (photometric method). Details regarding the approaches employed for implementing the considered methods are discussed.

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.

Spectroscopically Enhanced Method and System for Multi-Factor Biometric Authentication

NASA Astrophysics Data System (ADS)

Pishva, Davar

This paper proposes a spectroscopic method and system for preventing spoofing of biometric authentication. One of its focus is to enhance biometrics authentication with a spectroscopic method in a multifactor manner such that a person's unique ‘spectral signatures’ or ‘spectral factors’ are recorded and compared in addition to a non-spectroscopic biometric signature to reduce the likelihood of imposter getting authenticated. By using the ‘spectral factors’ extracted from reflectance spectra of real fingers and employing cluster analysis, it shows how the authentic fingerprint image presented by a real finger can be distinguished from an authentic fingerprint image embossed on an artificial finger, or molded on a fingertip cover worn by an imposter. This paper also shows how to augment two widely used biometrics systems (fingerprint and iris recognition devices) with spectral biometrics capabilities in a practical manner and without creating much overhead or inconveniencing their users.

Infrared Spectroscopy of Explosives Residues: Measurement Techniques and Spectral Analysis

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

Phillips, Mark C.; Bernacki, Bruce E.

2015-03-11

Infrared laser spectroscopy of explosives is a promising technique for standoff and non-contact detection applications. However, the interpretation of spectra obtained in typical standoff measurement configurations presents numerous challenges. Understanding the variability in observed spectra from explosives residues and particles is crucial for design and implementation of detection algorithms with high detection confidence and low false alarm probability. We discuss a series of infrared spectroscopic techniques applied toward measuring and interpreting the reflectance spectra obtained from explosives particles and residues. These techniques utilize the high spectral radiance, broad tuning range, rapid wavelength tuning, high scan reproducibility, and low noise ofmore » an external cavity quantum cascade laser (ECQCL) system developed at Pacific Northwest National Laboratory. The ECQCL source permits measurements in configurations which would be either impractical or overly time-consuming with broadband, incoherent infrared sources, and enables a combination of rapid measurement speed and high detection sensitivity. The spectroscopic methods employed include standoff hyperspectral reflectance imaging, quantitative measurements of diffuse reflectance spectra, reflection-absorption infrared spectroscopy, microscopic imaging and spectroscopy, and nano-scale imaging and spectroscopy. Measurements of explosives particles and residues reveal important factors affecting observed reflectance spectra, including measurement geometry, substrate on which the explosives are deposited, and morphological effects such as particle shape, size, orientation, and crystal structure.« less

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.

Metallized Capillaries as Probes for Raman Spectroscopy

NASA Technical Reports Server (NTRS)

Pelletier, Michael

2003-01-01

A class of miniature probes has been proposed to supplant the fiber-optic probes used heretofore in some Raman and fluorescence spectroscopic systems. A probe according to the proposal would include a capillary tube coated with metal on its inside to make it reflective. A microlens would be hermetically sealed onto one end of the tube. A spectroscopic probe head would contain a single such probe, which would both deliver laser light to a sample and collect Raman or fluorescent light emitted by the sample.

Extinction measurement of dense media by an optical coherence tomography technique

NASA Astrophysics Data System (ADS)

Ago, Tomoki; Iwai, Toshiaki; Yokota, Ryoko

2016-10-01

The optical coherence tomography will make progress as the next stage toward a spectroscopic analysis technique. The spectroscopic analysis is based on the Beer-Lambert law. The absorption and scattering coefficients even for the dense medium can be measured by the Beer-Lambert law because the OCT can detect only the light keeping the coherency which propagated rectilinearly and retro-reflected from scatters. This study is concerned with the quantitative verification of Beer-Lambert law in the OCT imaging.

Fabrication of titania inverse opals by multi-cycle dip-infiltration for optical sensing

NASA Astrophysics Data System (ADS)

Chiang, Chun-Chen; Tuyen, Le Dac; Ren, Ching-Rung; Chau, Lai-Kwan; Wu, Cheng Yi; Huang, Ping-Ji; Hsu, Chia Chen

2016-04-01

We have demonstrated a low-cost method to fabricate TiO2 inverse opal photonic crystals with high refractive index skeleton. The TiO2 inverse opal films were fabricated from a polystyrene opal template by multi-cycle dip-infiltration-coating method. The properties of the TiO2 inverse opal films were characterized by scanning electron microscopy and Bragg reflection spectroscopy. The reflection spectroscopic measurements of the TiO2 inverse opal films were compared with theories of photonic band calculations and Bragg law. The agreement between experiment and theory indicates that we can precisely predict the refractive index of the infiltrated liquid sample in the TiO2 inverse opal films from the measurement results. The red-shift of the peak wavelength in the Bragg reflection spectra for both alcohol mixtures and aqueous sucrose solutions of increasing refractive index was observed and respective refractive index sensitivities of 296 and 286 nm/RIU (refractive index unit) were achieved. As the fabrication of the TiO2 inverse opal films and reflection spectroscopic measurement are fairly easy, the TiO2 inverse opal films have potential applications in optical sensing.

Spectroscopic analysis of soil metal contamination around a derelict mine site in the Blue Mountains, Australia

NASA Astrophysics Data System (ADS)

Shamsoddini, A.; Raval, S.; Taplin, R.

2014-09-01

Abandoned mine sites pose the potential threat of the heavy metal pollution spread through streams and via runoff leading to contamination of soil and water in their surrounding areas. Regular monitoring of these areas is critical to minimise impacts on water resources, flora and fauna. Conventional ground based monitoring is expensive and sometimes impractical; spectroscopic methods have been emerged as a reliable alternative for this purpose. In this study, the capabilities of the spectroscopy method were examined for modelling soil contamination from around the abandoned silver-zinc mine located at Yerranderie, NSW Australia. The diagnostic characteristics of the original reflectance data were compared with models derived from first and second derivatives of the reflectance data. The results indicate that the models derived from the first derivative of the reflectance data estimate heavy metals significantly more accurately than model derived from the original reflectance. It was also found in this study that there is no need to use second derivative for modelling heavy metal soil contamination. Finally, the results indicate that estimates were of greater accuracy for arsenic and lead compared to other heavy metals, while the estimation for silver was found to be the most erroneous.

Measuring the Spectral Properties of Candidate Mineral Sources of the Venus Radar Anomalies

NASA Astrophysics Data System (ADS)

Kohler, E.; Maturilli, A.; Koulen, J.; Helbert, J.

2016-12-01

Radar mapping of the surface of Venus shows areas of high reflectivity (low emissivity) in the Venusian highlands at altitudes between 2.5-4.75 kilometers. The origin of the radar anomalies found in the highlands remains unclear. Previous experimental research investigated possible materials under simulated Venusian atmospheric and surface conditions, with special emphasis on the combined effect of pressure and temperature, and chemical composition. The results of these studies identified candidate source materials for the radar anomalies. In order to fully be considered a true source candidate the material must have spectroscopic measurements comparable to those measured on the surface of Venus where the high temperature affects spectral characteristics of minerals. The spectroscopic measurements of the previously identified candidate minerals were made at the Planetary Spectroscopy Laboratory (PSL) of DLR in Berlin in an effort to identify the anomaly source. The spectroscopic measurements were made with a FTIR Bruker Vertex 80V evacuated to .1 mbar and using several pairings of detector+beamsplitter to cover the spectral range from 0.2 to 20 µm. Each sample was poured in a stainless steel reflectance cup and measured fresh. Successively each cup was heated (via an induction system) in vacuum (0.07 mbar) at 400°C for 8 hours and measured again in the UV+VIS+MIR spectral range. Three consecutive cycles of heating and measuring reflectance were performed to account for spectral variations arising from the thermal processing of the samples. Heating the samples directly inside the reflectance cups allows to measure every time exactly the same surface, exposed to increasing levels of thermal processing. Results from this study are expected to further constrain the source of the Venus radar anomalies.

Spectroscopic Characteristics of Dissolved Organic Matter in Afforestation Forest Soil of Miyun District, Beijing

PubMed Central

Zhao, Chen; Shi, Zong-Hai; Zhong, Jun; Liu, Jian-Guo; Li, Jun-Qing

2016-01-01

In this study, soil samples collected from different plain afforestation time (1 year, 4 years, 10 years, 15 years, and 20 years) in Miyun were characterized, including total organic carbon (TOC), total nitrogen (TN), total phosphorus (TP), available K (K+), microbial biomass carbon (MBC), and dissolved organic carbon (DOC). The DOM in the soil samples with different afforestation time was further characterized via DOC, UV-Visible spectroscopy, excitation-emission matrix (EEM) fluorescence spectroscopy, and 1H NMR spectroscopy. The results suggested that the texture of soil sample was sandy. The extracted DOM from soil consisted mainly of aliphatic chains and only a minor aromatic component. It can be included that afforestation can improve the soil quality to some extent, which can be partly reflected from the indexes like TOC, TN, TP, K+, MBC, and DOC. And the characterization of DOM implied that UV humic-like substances were the major fluorophores components in the DOM of the soil samples, which consisted of aliphatic chains and aromatic components with carbonyl, carboxyl, and hydroxyl groups. PMID:27433371

Studies of electronic and magnetic properties of LaVO3 thin film

NASA Astrophysics Data System (ADS)

Jana, Anupam; Karwal, Sharad; Choudhary, R. J.; Phase, D. M.

2018-04-01

We have investigated the electronic and magnetic properties of pulsed laser deposited Mott insulator LaVO3 (LVO) thin film. Structural characterization revels the single phase [00l] oriented LVO thin film. Enhancement of out of plane lattice parameter indicates the compressively strained LVO film. Electron spectroscopic studies demonstrate that vanadium is present in V3+ state. An energy dispersive X-ray spectroscopic study ensures the stoichiometric growth of the film. Very smooth surface is observed in scanning electron micrograph. Colour mapping for elemental distribution reflect the homogeneity of LVO film. The bifurcation between zero-field-cooled and Field-cooled curves clearly points towards the weak ferromagnetic phase presence in compressively strained LVO thin film. A finite value of coercivity at 300 K reflects the possibility of room temperature ferromagnetism of LVO thin film.

Parallel detecting, spectroscopic ellipsometers/polarimeters

DOEpatents

Furtak, Thomas E.

2002-01-01

The parallel detecting spectroscopic ellipsometer/polarimeter sensor has no moving parts and operates in real-time for in-situ monitoring of the thin film surface properties of a sample within a processing chamber. It includes a multi-spectral source of radiation for producing a collimated beam of radiation directed towards the surface of the sample through a polarizer. The thus polarized collimated beam of radiation impacts and is reflected from the surface of the sample, thereby changing its polarization state due to the intrinsic material properties of the sample. The light reflected from the sample is separated into four separate polarized filtered beams, each having individual spectral intensities. Data about said four individual spectral intensities is collected within the processing chamber, and is transmitted into one or more spectrometers. The data of all four individual spectral intensities is then analyzed using transformation algorithms, in real-time.

Multifunction Imaging and Spectroscopic Instrument

NASA Technical Reports Server (NTRS)

Mouroulis, Pantazis

2004-01-01

A proposed optoelectronic instrument would perform several different spectroscopic and imaging functions that, heretofore, have been performed by separate instruments. The functions would be reflectance, fluorescence, and Raman spectroscopies; variable-color confocal imaging at two different resolutions; and wide-field color imaging. The instrument was conceived for use in examination of minerals on remote planets. It could also be used on Earth to characterize material specimens. The conceptual design of the instrument emphasizes compactness and economy, to be achieved largely through sharing of components among subsystems that perform different imaging and spectrometric functions. The input optics for the various functions would be mounted in a single optical head. With the exception of a targeting lens, the input optics would all be aimed at the same spot on a specimen, thereby both (1) eliminating the need to reposition the specimen to perform different imaging and/or spectroscopic observations and (2) ensuring that data from such observations can be correlated with respect to known positions on the specimen. The figure schematically depicts the principal components and subsystems of the instrument. The targeting lens would collect light into a multimode optical fiber, which would guide the light through a fiber-selection switch to a reflection/ fluorescence spectrometer. The switch would have four positions, enabling selection of spectrometer input from the targeting lens, from either of one or two multimode optical fibers coming from a reflectance/fluorescence- microspectrometer optical head, or from a dark calibration position (no fiber). The switch would be the only moving part within the instrument.

Relative performance evaluation of a custom-made near infrared reflectance instrument and two commercial instruments (Foss and ASD) in the nondestructive moisture content measurement of in-shell peanuts

USDA-ARS?s Scientific Manuscript database

A custom made Near Infrared Reflectance (NIR) spectroscope was used to determine the moisture content of in-shell peanuts of Virginia type peanuts. Peanuts were conditioned to different moisture levels between 6 and 26 % (wet basis) and samples from different moisture levels were separated into two...

Enhancing forensic science with spectroscopic imaging

NASA Astrophysics Data System (ADS)

Ricci, Camilla; Kazarian, Sergei G.

2006-09-01

This presentation outlines the research we are developing in the area of Fourier Transform Infrared (FTIR) spectroscopic imaging with the focus on materials of forensic interest. FTIR spectroscopic imaging has recently emerged as a powerful tool for characterisation of heterogeneous materials. FTIR imaging relies on the ability of the military-developed infrared array detector to simultaneously measure spectra from thousands of different locations in a sample. Recently developed application of FTIR imaging using an ATR (Attenuated Total Reflection) mode has demonstrated the ability of this method to achieve spatial resolution beyond the diffraction limit of infrared light in air. Chemical visualisation with enhanced spatial resolution in micro-ATR mode broadens the range of materials studied with FTIR imaging with applications to pharmaceutical formulations or biological samples. Macro-ATR imaging has also been developed for chemical imaging analysis of large surface area samples and was applied to analyse the surface of human skin (e.g. finger), counterfeit tablets, textile materials (clothing), etc. This approach demonstrated the ability of this imaging method to detect trace materials attached to the surface of the skin. This may also prove as a valuable tool in detection of traces of explosives left or trapped on the surfaces of different materials. This FTIR imaging method is substantially superior to many of the other imaging methods due to inherent chemical specificity of infrared spectroscopy and fast acquisition times of this technique. Our preliminary data demonstrated that this methodology will provide the means to non-destructive detection method that could relate evidence to its source. This will be important in a wider crime prevention programme. In summary, intrinsic chemical specificity and enhanced visualising capability of FTIR spectroscopic imaging open a window of opportunities for counter-terrorism and crime-fighting, with applications ranging from analysis of trace evidence (e.g. in soil), tablets, drugs, fibres, tape explosives, biological samples to detection of gunshot residues and imaging of fingerprints.

Proposal of AAA-battery-size one-shot ATR Fourier spectroscopic imager for on-site analysis: Simultaneous measurement of multi-components with high accuracy

NASA Astrophysics Data System (ADS)

Hosono, Satsuki; Qi, Wei; Sato, Shun; Suzuki, Yo; Fujiwara, Masaru; Hiramatsu, Hiroyuki; Suzuki, Satoru; Abeygunawardhana, P. K. W.; Wada, Kenji; Nishiyama, Akira; Ishimaru, Ichiro

2015-03-01

For simultaneous measurement of multi-components on-site like factories, the ultra-compact (diameter: 9[mm], length: 45[mm], weight: 200[g]) one-shot ATR (Attenuated Total Reflection) Fourier spectroscopic imager was proposed. Because the proposed one-shot Fourier spectroscopic imaging is based on spatial-phase-shift interferometer, interferograms could be obtained with simple optical configurations. We introduced the transmission-type relativeinclined phase-shifter, that was constructed with a cuboid prism and a wedge prism, onto the optical Fourier transform plane of infinity corrected optical systems. And also, small light-sources and cameras in the mid-infrared light region, whose size are several millimeter on a side, are essential components for the ultra-compact spectroscopic configuration. We selected the Graphite light source (light source area: 1.7×1.7[mm], maker: Hawkeye technologies) whose radiation factor was high. Fortunately, in these days we could apply the cost-effective 2-dimensional light receiving device for smartphone (e.g. product name: LEPTON, maker: FLIR, price: around 400USD). In the case of alcoholic drinks factory, conventionally workers measure glucose and ethanol concentrations by bringing liquid solution back to laboratories every day. The high portable spectroscopy will make it possible to measure multi-components simultaneously on manufacturing scene. But we found experimentally that absorption spectrum of glucose and water and ethanol were overlapped each other in near infrared light region. But for mid-infrared light region, we could distinguish specific absorption peaks of glucose (@10.5[μm]) and ethanol (@11.5[μm]) independently from water absorption. We obtained standard curve between absorption (@9.6[μm]) and ethanol concentration with high correlation coefficient 0.98 successfully by ATR imaging-type 2-dimensional Fourier spectroscopy (wavelength resolution: 0.057[μm]) with the graphite light source (maker: Hawkeye technologies, type: IR-75).

Fluorescent-Spectroscopic Research of in Vivo Tissues Pathological Conditions

NASA Astrophysics Data System (ADS)

Giraev, K. M.; Ashurbekov, N. A.; Medzhidov, R. T.

The steady-state spectra of autofluorescence and the reflection coefficient on the excitation wavelength of some stomach tissues in vivo with various pathological conditions (surface gastritis, displasia, cancer) are measured under excitation by the nitrogen laser irradiation (λex=337.1 nm). The contour expansion of obtained fluorescence spectra into contributions of components is conducted by the Gaussian-Lorentzian curves method. It is shown that at least 7 groups of fluorophores forming a total luminescence spectrum can be distinguished during the development of displasia and tumor processes. The correlation of intensities of flavins and NAD(P)·H fluorescence is determined and the degree of respiratory activity of cells for the functional condition considered is estimated. The evaluations of the fluorescence quantum yield of the tissue's researched are given.

Curious Case of Positive Current Collectors: Corrosion and Passivation at High Temperature.

PubMed

Sayed, Farheen N; Rodrigues, Marco-Tulio F; Kalaga, Kaushik; Gullapalli, Hemtej; Ajayan, P M

2017-12-20

In the evaluation of compatibility of different components of cell for high-energy and extreme-conditions applications, the highly focused are positive and negative electrodes and their interaction with electrolyte. However, for high-temperature application, the other components are also of significant influence and contribute toward the total health of battery. In present study, we have investigated the behavior of aluminum, the most common current collector for positive electrode materials for its electrochemical and temperature stability. For electrochemical stability, different electrolytes, organic and room temperature ionic liquids with varying Li salts (LiTFSI, LiFSI), are investigated. The combination of electrochemical and spectroscopic investigations reflects the varying mechanism of passivation at room and high temperature, as different compositions of decomposed complexes are found at the surface of metals.

Insights into the Aggregation Mechanism of PolyQ Proteins with Different Glutamine Repeat Lengths.

PubMed

Yushchenko, Tetyana; Deuerling, Elke; Hauser, Karin

2018-04-24

Polyglutamine (polyQ) diseases, including Huntington's disease, result from the aggregation of an abnormally expanded polyQ repeat in the affected protein. The length of the polyQ repeat is essential for the disease's onset; however, the molecular mechanism of polyQ aggregation is still poorly understood. Controlled conditions and initiation of the aggregation process are prerequisites for the detection of transient intermediate states. We present an attenuated total reflection Fourier-transform infrared spectroscopic approach combined with protein immobilization to study polyQ aggregation dependent on the polyQ length. PolyQ proteins were engineered mimicking the mammalian N-terminus fragment of the Huntingtin protein and containing a polyQ sequence with the number of glutamines below (Q11), close to (Q38), and above (Q56) the disease threshold. A monolayer of the polyQ construct was chemically immobilized on the internal reflection element of the attenuated total reflection cell, and the aggregation was initiated via enzymatic cleavage. Structural changes of the polyQ sequence were monitored by time-resolved infrared difference spectroscopy. We observed faster aggregation kinetics for the longer sequences, and furthermore, we could distinguish β-structured intermediates for the different constructs, allowing us to propose aggregation mechanisms dependent on the repeat length. Q11 forms a β-structured aggregate by intermolecular interaction of stretched monomers, whereas Q38 and Q56 undergo conformational changes to various β-structured intermediates, including intramolecular β-sheets. Copyright © 2018 Biophysical Society. Published by Elsevier Inc. All rights reserved.

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®

Three-dimensional invisibility cloaks functioning at terahertz frequencies

NASA Astrophysics Data System (ADS)

Cao, Wei; Zhou, Fan; Liang, Dachuan; Gu, Jianqiang; Han, Jiaguang; Sun, Cheng; Zhang, Weili

2014-05-01

Quasi-three-dimensional invisibility cloaks, comprised of either homogeneous or inhomogeneous media, are experimentally demonstrated in the terahertz regime. The inhomogeneous cloak was lithographically fabricated using a scalable Projection Microstereolithography process. The triangular cloaking structure has a total thickness of 4.4 mm, comprised of 220 layers of 20 μm thickness. The cloak operates at a broad frequency range between 0.3 and 0.6 THz, and is placed over an α-lactose monohydrate absorber with rectangular shape. Characterized using angular-resolved reflection terahertz time-domain spectroscopy, the results indicate that the terahertz invisibility cloak has successfully concealed both the geometrical and spectroscopic signatures of the absorber, making it undetectable to the observer. The homogeneous cloaking device made from birefringent crystalline sapphire features a large concealed volume, low loss, and broad bandwidth. It is capable of hiding objects with a dimension nearly an order of magnitude larger than that of its lithographic counterpart, but without involving complex and time-consuming cleanroom processing. The cloak device was made from two 20-mm-thick high-purity sapphire prisms. The cloaking region has a maximum height 1.75 mm with a volume of approximately 5% of the whole sample. The reflected TM beam from the cloak shows nearly the same profile as that reflected by a flat mirror.

LSS 2018: A double-lined spectroscopic binary central star with an extremely large reflection effect

NASA Technical Reports Server (NTRS)

Drilling, J. S.

1985-01-01

LSS 2018, the central star of the planetry nebulae DS1, was found to be a double-lined spectroscopic binary with a period of 8.571 hours. Light variations with the same period were observed in U, B, and V; in the wavelength regions defined by the two IUE cameras; and in the strength of the CIII 4647 emission line. The light variations can be accurately predicted by a simple reflection effect, and an analysis of the light curves yields the angular diameter and effective temperature of the primary, the radii of the two stars in terms of their separation, and the inclination of the system. Analysis of the radial velocities then yields the masses of the two stars, their separation, the distance of the system, the absolute magnitude of the primary, and the size of the nebula.

Portable device for generation of ultra-pure water vapor feeds

NASA Astrophysics Data System (ADS)

Velin, P.; Stenman, U.; Skoglundh, M.; Carlsson, P.-A.

2017-11-01

A portable device for the generation of co-feeds of water vapor has been designed, constructed, and evaluated for flexible use as an add-on component to laboratory chemical reactors. The vapor is formed by catalytic oxidation of hydrogen, which benefits the formation of well-controlled minute concentrations of ultra-pure water. Analysis of the effluent stream by on-line mass spectrometry and Fourier transform infrared spectroscopy confirms that water vapor can be, with high precision, generated both rapidly and steadily over extended periods in the range of 100 ppm to 3 vol. % (limited by safety considerations) using a total flow of 100 to 1500 ml/min at normal temperature and pressure. Further, the device has been used complementary to a commercial water evaporator and mixing system to span water concentrations up to 12 vol. %. Finally, an operando diffuse reflective infrared Fourier transform spectroscopic measurement of palladium catalysed methane oxidation in the absence and presence of up to 1.0 vol. % water has been carried out to demonstrate the applicability of the device for co-feeding well-controlled low concentrations of water vapor to a common type of spectroscopic experiment. The possibilities of creating isotopically labeled water vapor as well as using tracer gases for dynamic experiments are discussed.

Syntheses, spectroscopic properties and molecular structure of silver phytate complexes - IR, UV-VIS studies and DFT calculations

NASA Astrophysics Data System (ADS)

Zając, A.; Dymińska, L.; Lorenc, J.; Ptak, M.; Hanuza, J.

2018-03-01

Silver phytate IP6, IP6Ag, IP6Ag2 and IP6Ag3 complexes in the solid state have been synthesized changing the phosphate to metal mole ratio. The obtained products have been characterized by means of chemical and spectroscopic studies. Attenuated total reflection Fourier transform infrared technique and Raman microscope were used in the measurements. These results were discussed in terms of DFT (Density Functional Theory) quantum chemical calculations using the B3LYP/6-31G(d,p) approach. The molecular structures of these compounds have been proposed on the basis of group theory and geometry optimization taking into account the shape and the number of the observed bands corresponding to the stretching and bending vibrations of the phosphate group and metal-oxygen polyhedron. The role of inter- and intra-hydrogen bonds in stabilization of the structure has been discussed. It was found that three types of hydrogen bonds appear in the studied compounds: terminal, and those engaged in the inter- and intra-molecular interactions. The Fermi resonance as a result of the strong intra-molecular Osbnd H⋯O hydrogen bonds was discovered. Electron absorption spectra have been measured to characterize the electron properties of the studied complexes and their local symmetry.

Optical and spectroscopic studies on tannery wastes as a possible source of organic semiconductors

NASA Astrophysics Data System (ADS)

Nashy, El-Shahat H. A.; Al-Ashkar, Emad; Abdel Moez, A.

2012-02-01

Tanning industry produces a large quantity of solid wastes which contain hide proteins in the form of protein shavings containing chromium salts. The chromium wastes are the main concern from an environmental stand point of view, because chrome wastes posses a significant disposal problem. The present work is devoted to investigate the possibility of utilizing these wastes as a source of organic semi-conductors as an alternative method instead of the conventional ones. The chemical characterization of these wastes was determined. In addition, the Horizontal Attenuated Total Reflection (HATR) FT-IR spectroscopic analysis and optical parameters were also carried out for chromated samples. The study showed that the chromated samples had suitable absorbance and transmittance in the wavelength range (500-850 nm). Presence of chromium salt in the collagen samples increases the absorbance which improves the optical properties of the studied samples and leads to decrease the optical energy gap. The obtained optical energy gap gives an impression that the environmentally hazardous chrome shavings wastes can be utilized as a possible source of natural organic semiconductors with direct and indirect energy gap. This work opens the door to use some hazardous wastes in the manufacture of electronic devices such as IR-detectors, solar cells and also as solar cell windows.

Portable device for generation of ultra-pure water vapor feeds.

PubMed

Velin, P; Stenman, U; Skoglundh, M; Carlsson, P-A

2017-11-01

A portable device for the generation of co-feeds of water vapor has been designed, constructed, and evaluated for flexible use as an add-on component to laboratory chemical reactors. The vapor is formed by catalytic oxidation of hydrogen, which benefits the formation of well-controlled minute concentrations of ultra-pure water. Analysis of the effluent stream by on-line mass spectrometry and Fourier transform infrared spectroscopy confirms that water vapor can be, with high precision, generated both rapidly and steadily over extended periods in the range of 100 ppm to 3 vol. % (limited by safety considerations) using a total flow of 100 to 1500 ml/min at normal temperature and pressure. Further, the device has been used complementary to a commercial water evaporator and mixing system to span water concentrations up to 12 vol. %. Finally, an operando diffuse reflective infrared Fourier transform spectroscopic measurement of palladium catalysed methane oxidation in the absence and presence of up to 1.0 vol. % water has been carried out to demonstrate the applicability of the device for co-feeding well-controlled low concentrations of water vapor to a common type of spectroscopic experiment. The possibilities of creating isotopically labeled water vapor as well as using tracer gases for dynamic experiments are discussed.

Application of laboratory and portable attenuated total reflectance infrared spectroscopic approaches for rapid quantification of alpaca serum immunoglobulin G

PubMed Central

Burns, Jennifer B.; Riley, Christopher B.; Shaw, R. Anthony; McClure, J. Trenton

2017-01-01

The objective of this study was to develop and compare the performance of laboratory grade and portable attenuated total reflectance infrared (ATR-IR) spectroscopic approaches in combination with partial least squares regression (PLSR) for the rapid quantification of alpaca serum IgG concentration, and the identification of low IgG (<1000 mg/dL), which is consistent with the diagnosis of failure of transfer of passive immunity (FTPI) in neonates. Serum samples (n = 175) collected from privately owned, healthy alpacas were tested by the reference method of radial immunodiffusion (RID) assay, and laboratory grade and portable ATR-IR spectrometers. Various pre-processing strategies were applied to the ATR-IR spectra that were linked to corresponding RID-IgG concentrations, and then randomly split into two sets: calibration (training) and test sets. PLSR was applied to the calibration set and calibration models were developed, and the test set was used to assess the accuracy of the analytical method. For the test set, the Pearson correlation coefficients between the IgG measured by RID and predicted by both laboratory grade and portable ATR-IR spectrometers was 0.91. The average differences between reference serum IgG concentrations and the two IR-based methods were 120.5 mg/dL and 71 mg/dL for the laboratory and portable ATR-IR-based assays, respectively. Adopting an IgG concentration <1000 mg/dL as the cut-point for FTPI cases, the sensitivity, specificity, and accuracy for identifying serum samples below this cut point by laboratory ATR-IR assay were 86, 100 and 98%, respectively (within the entire data set). Corresponding values for the portable ATR-IR assay were 95, 99 and 99%, respectively. These results suggest that the two different ATR-IR assays performed similarly for rapid qualitative evaluation of alpaca serum IgG and for diagnosis of IgG <1000 mg/dL, the portable ATR-IR spectrometer performed slightly better, and provides more flexibility for potential application in the field. PMID:28651006

Application of laboratory and portable attenuated total reflectance infrared spectroscopic approaches for rapid quantification of alpaca serum immunoglobulin G.

PubMed

Elsohaby, Ibrahim; Burns, Jennifer B; Riley, Christopher B; Shaw, R Anthony; McClure, J Trenton

2017-01-01

The objective of this study was to develop and compare the performance of laboratory grade and portable attenuated total reflectance infrared (ATR-IR) spectroscopic approaches in combination with partial least squares regression (PLSR) for the rapid quantification of alpaca serum IgG concentration, and the identification of low IgG (<1000 mg/dL), which is consistent with the diagnosis of failure of transfer of passive immunity (FTPI) in neonates. Serum samples (n = 175) collected from privately owned, healthy alpacas were tested by the reference method of radial immunodiffusion (RID) assay, and laboratory grade and portable ATR-IR spectrometers. Various pre-processing strategies were applied to the ATR-IR spectra that were linked to corresponding RID-IgG concentrations, and then randomly split into two sets: calibration (training) and test sets. PLSR was applied to the calibration set and calibration models were developed, and the test set was used to assess the accuracy of the analytical method. For the test set, the Pearson correlation coefficients between the IgG measured by RID and predicted by both laboratory grade and portable ATR-IR spectrometers was 0.91. The average differences between reference serum IgG concentrations and the two IR-based methods were 120.5 mg/dL and 71 mg/dL for the laboratory and portable ATR-IR-based assays, respectively. Adopting an IgG concentration <1000 mg/dL as the cut-point for FTPI cases, the sensitivity, specificity, and accuracy for identifying serum samples below this cut point by laboratory ATR-IR assay were 86, 100 and 98%, respectively (within the entire data set). Corresponding values for the portable ATR-IR assay were 95, 99 and 99%, respectively. These results suggest that the two different ATR-IR assays performed similarly for rapid qualitative evaluation of alpaca serum IgG and for diagnosis of IgG <1000 mg/dL, the portable ATR-IR spectrometer performed slightly better, and provides more flexibility for potential application in the field.

Screening mail for powders using terahertz technology

NASA Astrophysics Data System (ADS)

Kemp, Mike

2011-11-01

Following the 2001 Anthrax letter attacks in the USA, there has been a continuing interest in techniques that can detect or identify so-called 'white powder' concealed in envelopes. Electromagnetic waves (wavelengths 100-500 μm) in the terahertz frequency range penetrate paper and have short enough wavelengths to provide good resolution images; some materials also have spectroscopic signatures in the terahertz region. We report on an experimental study into the use of terahertz imaging and spectroscopy for mail screening. Spectroscopic signatures of target powders were measured and, using a specially designed test rig, a number of imaging methods based on reflection, transmission and scattering were investigated. It was found that, contrary to some previous reports, bacterial spores do not appear to have any strong spectroscopic signatures which would enable them to be identified. Imaging techniques based on reflection imaging and scattering are ineffective in this application, due to the similarities in optical properties between powders of interest and paper. However, transmission imaging using time-of-flight of terahertz pulses was found to be a very simple and sensitive method of detecting small quantities (25 mg) of powder, even in quite thick envelopes. An initial feasibility study indicates that this method could be used as the basis of a practical mail screening system.

Rainbows, polarization, and the search for habitable planets.

PubMed

Bailey, Jeremy

2007-04-01

Current proposals for the characterization of extrasolar terrestrial planets rest primarily on the use of spectroscopic techniques. While spectroscopy is effective in detecting the gaseous components of a planet's atmosphere, it provides no way of detecting the presence of liquid water, the defining characteristic of a habitable planet. In this paper, I investigate the potential of an alternative technique for characterizing the atmosphere of a planet using polarization. By looking for a polarization peak at the "primary rainbow" scattering angle, it is possible to detect the presence of liquid droplets in a planet's atmosphere and constrain the nature of the liquid through its refractive index. Single scattering calculations are presented to show that a well-defined rainbow scattering peak is present over the full range of likely cloud droplet sizes and clearly distinguishes the presence of liquid droplets from solid particles such as ice or dust. Rainbow scattering has been used in the past to determine the nature of the cloud droplets in the Venus atmosphere and by the POLarization and Directionality of Earth Reflectances (POLDER) instrument to distinguish between liquid and ice clouds in the Earth atmosphere. While the presence of liquid water clouds does not guarantee the presence of water at the surface, this technique could complement spectroscopic techniques for characterizing the atmospheres of potential habitable planets. The disk-integrated rainbow peak for Earth is estimated to be at a degree of polarization of 12.7% or 15.5% for two different cloud cover scenarios. The observation of this rainbow peak is shown to be feasible with the proposed Terrestrial Planet Finder Coronograph mission in similar total integration times to those required for spectroscopic characterization.

Spectroscopic methods for the photodiagnosis of nonmelanoma skin cancer.

PubMed

Drakaki, Eleni; Vergou, Theognosia; Dessinioti, Clio; Stratigos, Alexander J; Salavastru, Carmen; Antoniou, Christina

2013-06-01

The importance of dermatological noninvasive imaging techniques has increased over the last decades, aiming at diagnosing nonmelanoma skin cancer (NMSC). Technological progress has led to the development of various analytical tools, enabling the in vivo/in vitro examination of lesional human skin with the aim to increase diagnostic accuracy and decrease morbidity and mortality. The structure of the skin layers, their chemical composition, and the distribution of their compounds permits the noninvasive photodiagnosis of skin diseases, such as skin cancers, especially for early stages of malignant tumors. An important role in the dermatological diagnosis and disease monitoring has been shown for promising spectroscopic and imaging techniques, such as fluorescence, diffuse reflectance, Raman and near-infrared spectroscopy, optical coherence tomography, and confocal laser-scanning microscopy. We review the use of these spectroscopic techniques as noninvasive tools for the photodiagnosis of NMSC.

Spectroscopic methods for the photodiagnosis of nonmelanoma skin cancer

NASA Astrophysics Data System (ADS)

Drakaki, Eleni; Vergou, Theognosia; Dessinioti, Clio; Stratigos, Alexander J.; Salavastru, Carmen; Antoniou, Christina

2013-06-01

The importance of dermatological noninvasive imaging techniques has increased over the last decades, aiming at diagnosing nonmelanoma skin cancer (NMSC). Technological progress has led to the development of various analytical tools, enabling the in vivo/in vitro examination of lesional human skin with the aim to increase diagnostic accuracy and decrease morbidity and mortality. The structure of the skin layers, their chemical composition, and the distribution of their compounds permits the noninvasive photodiagnosis of skin diseases, such as skin cancers, especially for early stages of malignant tumors. An important role in the dermatological diagnosis and disease monitoring has been shown for promising spectroscopic and imaging techniques, such as fluorescence, diffuse reflectance, Raman and near-infrared spectroscopy, optical coherence tomography, and confocal laser-scanning microscopy. We review the use of these spectroscopic techniques as noninvasive tools for the photodiagnosis of NMSC.

Exploiting Optical Contrasts for Cervical Precancer Diagnosis via Diffuse Reflectance Spectroscopy

NASA Astrophysics Data System (ADS)

Chang, Vivide Tuan-Chyan

Among women worldwide, cervical cancer is the third most common cancer with an incidence rate of 15.3 per 100,000 and a mortality rate of 7.8 per 100,000 women. This is largely attributed to the lack of infrastructure and resources in the developing countries to support the organized screening and diagnostic programs that are available to women in developed nations. Hence, there is a critical global need for a screening and diagnostic paradigm that is effective in low-resource settings. Various strategies are described to design an optical spectroscopic sensor capable of collecting reliable diffuse reflectance data to extract quantitative optical contrasts for cervical cancer screening and diagnosis. A scalable Monte Carlo based optical toolbox can be used to extract absorption and scattering contrasts from diffuse reflectance acquired in the cervix in vivo. [Total Hb] was shown to increase significantly in high-grade cervical intraepithelial neoplasia (CIN 2+), clinically the most important tissue grade to identify, compared to normal and low-grade intraepithelial neoplasia (CIN 1). Scattering was not significantly decreased in CIN 2+ versus normal and CIN 1, but was significantly decreased in CIN relative to normal cervical tissues. Immunohistochemistry via anti-CD34, which stains the endothelial cells that line blood vessels, was used to validate the observed absorption contrast. The concomitant increase in microvessel density and [total Hb] suggests that both are reactive to angiogenic forces from up-regulated expression of VEGF in CIN 2+. Masson's trichrome stain was used to assess collagen density changes associated with dysplastic transformation of the cervix, hypothesized as the dominant source of decreased scattering observed. Due to mismatch in optical and histological sampling, as well as the small sample size, collagen density and scattering did not change in a similar fashion with tissue grade. Dysplasia may also induce changes in cross-linking of collagen without altering the amount of collagen present. Further work would be required to elucidate the exact sources of scattering contrast observed. Common confounding variables that limit the accuracy and clinical acceptability of optical spectroscopic systems are calibration requirements and variable probe-tissue contact pressures. Our results suggest that using a real-time self-calibration channel, as opposed to conventional post-experiment diffuse reflectance standard calibration measurements, significantly improved data integrity for the extraction of scattering contrast. Extracted [total Hb] and scattering were also significantly associated with applied contact probe pressure in colposcopically normal sites. Hence, future contact probe spectroscopy or imaging systems should incorporate a self-calibration channel and ensure spectral acquisition at a consistent contact pressure to collect reliable data with enhanced absorption and scattering contrasts. Another method to enhance optical contrast is to selectively interrogate different depths in the dysplastic cervix. For instance, scattering has been shown to increase in the epithelium (increase in nuclear-to-cytoplasmic ratio) while decrease in the stroma (re-organization of the extra-cellular matrix and changes in of collagen fiber cross-links). A fiber-optic probe with 45° illumination and collection fibers with a separation distance of 330 μm was designed and constructed to selectively interrogate the cervical epithelium. Mean extraction errors from liquid phantoms with optical properties mimicking the cervical epithelium for μa and μs' were 11.3 % and 12.7 %, respectively. Diffuse reflectance spectra from 9 sites in four loop electrosurgical excision procedure (LEEP) patients were analyzed. Preliminary data demonstrate the utility of the oblique fiber geometry in extracting scattering contrast in the cervical epithelium. Further work is needed to study the systematic error in optical property extraction and to incorporate simultaneous extraction of epithelial and stromal contrasts using both flat and oblique illumination and collection fibers. Various strategies, namely self-calibration, consistent contact pressure, and the incorporation of depth-selective sensing, have been proposed to improve the data integrity of an optical spectroscopic system for maximal contrast. In addition to addressing field operation requirements (such as power and operator training requirement), these improvements should enable the collection of reliable spectral data to aid in the adoption of optical smart sensors in the screening and diagnosis of cervical precancer, especially in a global health setting.

Characterization of perovskite film prepared by pulsed laser deposition on ferritic stainless steel using microscopic and optical methods

NASA Astrophysics Data System (ADS)

Durda, E.; Jaglarz, J.; Kąc, S.; Przybylski, K.; El Kouari, Y.

2016-06-01

The perovskite La0.6Sr0.4Co0.2Fe0.8O3-δ (LSCF48) film was deposited on Crofer 22 APU ferritic stainless steel by pulsed laser deposition (PLD). Morphological studies of the sample were performed using scanning electron microscopy (SEM) and atomic force microscopy (AFM). Information about film thickness and surface topography of the film and the steel substrate were obtained using following optical methods: spectroscopic ellipsometry (SE), bidirectional reflection distribution function (BRDF) and total integrated reflectometry (TIS). In particular, the BRDF study, being complementary to atomic force microscopy, yielded information about surface topography. Using the previously mentioned methods, the following statistic surface parameters were determined: root-mean square (rms) roughness and autocorrelation length by determining the power spectral density (PSD) function of surface irregularities.

Study of Receptor-Chaperone Interactions Using the Optical Technique of Spectroscopic Ellipsometry

PubMed Central

Kriechbaumer, Verena; Tsargorodskaya, Anna; Mustafa, Mohd K.; Vinogradova, Tatiana; Lacey, Joanne; Smith, David P.; Abell, Benjamin M.; Nabok, Alexei

2011-01-01

This work describes a detailed quantitative interaction study between the novel plastidial chaperone receptor OEP61 and isoforms of the chaperone types Hsp70 and Hsp90 using the optical method of total internal reflection ellipsometry (TIRE). The receptor OEP61 was electrostatically immobilized on a gold surface via an intermediate layer of polycations. The TIRE measurements allowed the evaluation of thickness changes in the adsorbed molecular layers as a result of chaperone binding to receptor proteins. Hsp70 chaperone isoforms but not Hsp90 were shown to be capable of binding OEP61. Dynamic TIRE measurements were carried out to evaluate the affinity constants of the above reactions and resulted in clear discrimination between specific and nonspecific binding of chaperones as well as differences in binding properties between the highly similar Hsp70 isoforms. PMID:21767504

A versatile setup using femtosecond adaptive spectroscopic techniques for coherent anti-Stokes Raman scattering

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

Shen, Yujie, E-mail: styojm@physics.tamu.edu; Voronine, Dmitri V.; Sokolov, Alexei V.

2015-08-15

We report a versatile setup based on the femtosecond adaptive spectroscopic techniques for coherent anti-Stokes Raman scattering. The setup uses a femtosecond Ti:Sapphire oscillator source and a folded 4f pulse shaper, in which the pulse shaping is carried out through conventional optical elements and does not require a spatial light modulator. Our setup is simple in alignment, and can be easily switched between the collinear single-beam and the noncollinear two-beam configurations. We demonstrate the capability for investigating both transparent and highly scattering samples by detecting transmitted and reflected signals, respectively.

Spectroscopic ellipsometry in vacuum ultraviolet spectral area

NASA Astrophysics Data System (ADS)

Fuchs, Detlef

An ellipsometer is developed and built, which allows the direct spectroscopic evaluation of dielectric function of solid bodies in the energy area 5 to 35 eV. A linear polarized synchrotron radiation was used as light source. The Stokes parameters and the Mueller matrices were used for the mathematical modeling, which take into account the properties of the synchrotron light and the analyzer, which depend on the wavelength. The crystals of the semiconductor bindings GaAs, GaP, InP and ZnS were examined. Ellipsometric measurements and reflection spectra show a displacement of spectral structures towards lower photon energies after the storage.

Simultaneous probing of bulk liquid phase and catalytic gas-liquid-solid interface under working conditions using attenuated total reflection infrared spectroscopy

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

Meemken, Fabian; Müller, Philipp; Hungerbühler, Konrad

Design and performance of a reactor set-up for attenuated total reflection infrared (ATR-IR) spectroscopy suitable for simultaneous reaction monitoring of bulk liquid and catalytic solid-liquid-gas interfaces under working conditions are presented. As advancement of in situ spectroscopy an operando methodology for gas-liquid-solid reaction monitoring was developed that simultaneously combines catalytic activity and molecular level detection at the catalytically active site of the same sample. Semi-batch reactor conditions are achieved with the analytical set-up by implementing the ATR-IR flow-through cell in a recycle reactor system and integrating a specifically designed gas feeding system coupled with a bubble trap. By the usemore » of only one spectrometer the design of the new ATR-IR reactor cell allows for simultaneous detection of the bulk liquid and the catalytic interface during the working reaction. Holding two internal reflection elements (IRE) the sample compartments of the horizontally movable cell are consecutively flushed with reaction solution and pneumatically actuated, rapid switching of the cell (<1 s) enables to quasi simultaneously follow the heterogeneously catalysed reaction at the catalytic interface on a catalyst-coated IRE and in the bulk liquid on a blank IRE. For a complex heterogeneous reaction, the asymmetric hydrogenation of 2,2,2-trifluoroacetophenone on chirally modified Pt catalyst the elucidation of catalytic activity/enantioselectivity coupled with simultaneous monitoring of the catalytic solid-liquid-gas interface is shown. Both catalytic activity and enantioselectivity are strongly dependent on the experimental conditions. The opportunity to gain improved understanding by coupling measurements of catalytic performance and spectroscopic detection is presented. In addition, the applicability of modulation excitation spectroscopy and phase-sensitive detection are demonstrated.« less

Spectroscopic studies of water and water/regolith mixtures on planetary surfaces at low temperatures. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Clark, R. N.

1980-01-01

New reflectance spectra of Ganymede, Europe, Callisto, Io, Saturn's rings, and Mars were obtained. The new data is combined with data covering other spectral regions for compositional interpretation. The spectral properties of water and mixtures of water plus other minerals were studied in the laboratory at the low temperatures typical of Mars, the Galilean satellites, and Saturn's rings. High precision reflectance spectra of water ice were studied.

Mapping polycyclic aromatic hydrocarbon and total toxicity equivalent soil concentrations by visible and near-infrared spectroscopy.

PubMed

Okparanma, Reuben N; Coulon, Frederic; Mayr, Thomas; Mouazen, Abdul M

2014-09-01

In this study, we used data from spectroscopic models based on visible and near-infrared (vis-NIR; 350-2500 nm) diffuse reflectance spectroscopy to develop soil maps of polycyclic aromatic hydrocarbons (PAHs) and total toxicity equivalent concentrations (TTEC) of the PAH mixture. The TTEC maps were then used for hazard assessment of three petroleum release sites in the Niger Delta province of Nigeria (5.317°N, 6.467°E). As the paired t-test revealed, there were non-significant (p > 0.05) differences between soil maps of PAH and TTEC developed with chemically measured and vis-NIR-predicted data. Comparison maps of PAH showed a slight to moderate agreement between measured and predicted data (Kappa coefficient = 0.19-0.56). Using proposed generic assessment criteria, hazard assessment showed that the degree of action for site-specific risk assessment and/or remediation is similar for both measurement methods. This demonstrates that the vis-NIR method may be useful for monitoring hydrocarbon contamination in a petroleum release site. Copyright © 2014 Elsevier Ltd. All rights reserved.

Spectroscopic evidence for two-gap superconductivity in the quasi-1D chalcogenide Nb2Pd0.81S5

NASA Astrophysics Data System (ADS)

Park, Eunsung; Lee, Sangyun; Ronning, Filip; Thompson, Joe D.; Zhang, Qiu; Balicas, Luis; Lu, Xin; Park, Tuson

2018-04-01

Low-dimensional electronic systems with confined electronic wave functions have attracted interest due to their propensity toward novel quantum phases and their use in wide range of nanotechnologies. The newly discovered chalcogenide Nb2PdS5 possesses a quasi-one-dimensional electronic structure and becomes superconducting. Here, we report spectroscopic evidence for two-band superconductivity, where soft point-contact spectroscopic measurements in the superconducting (SC) state reveal Andreev reflection in the differential conductance G. Multiple peaks in G are observed at 1.8 K and explained by the two-band Blonder–Tinkham–Klapwijk model with two gaps Δ1  =  0.61 meV and Δ2  =  1.20 meV. The progressive evolution of G with temperature and magnetic field corroborates the multiple nature of the SC gaps.

Building global models for fat and total protein content in raw milk based on historical spectroscopic data in the visible and short-wave near infrared range.

PubMed

Melenteva, Anastasiia; Galyanin, Vladislav; Savenkova, Elena; Bogomolov, Andrey

2016-07-15

A large set of fresh cow milk samples collected from many suppliers over a large geographical area in Russia during a year has been analyzed by optical spectroscopy in the range 400-1100 nm in accordance with previously developed scatter-based technique. The global (i.e. resistant to seasonal, genetic, regional and other variations of the milk composition) models for fat and total protein content, which were built using partial least-squares (PLS) regression, exhibit satisfactory prediction performances enabling their practical application in the dairy. The root mean-square errors of prediction (RMSEP) were 0.09 and 0.10 for fat and total protein content, respectively. The issues of raw milk analysis and multivariate modelling based on the historical spectroscopic data have been considered and approaches to the creation of global models and their transfer between the instruments have been proposed. Availability of global models should significantly facilitate the dissemination of optical spectroscopic methods for the laboratory and in-line quantitative milk analysis. Copyright © 2016. Published by Elsevier Ltd.

Emission Enhancement in Quantum Emitters - Plasmonic Nanostructures Systems

NASA Astrophysics Data System (ADS)

Muqri, Aeshah; Suh, Jae Yong; Michogan Technological University Team

In this poster, the emission enhancement probed by spectroscopic and dynamic means will be presented. Systems composed of quantum emitters ensembles in the vicinity of plasmonic structures were fabricated. Their coupling strength were investigated by measuring the reflection, steady state photoluminescence, and time resolved fluorescence.

Polarization interferometry for real-time spectroscopic plasmonic sensing.

PubMed

Otto, Lauren M; Mohr, Daniel A; Johnson, Timothy W; Oh, Sang-Hyun; Lindquist, Nathan C

2015-03-07

We present quantitative, spectroscopic polarization interferometry phase measurements on plasmonic surfaces for sensing applications. By adding a liquid crystal variable wave plate in our beam path, we are able to measure phase shifts due to small refractive index changes on the sensor surface. By scanning in a quick sequence, our technique is extended to demonstrate real-time measurements. While this optical technique is applicable to different sensor geometries-e.g., nanoparticles, nanogratings, or nanoapertures-the plasmonic sensors we use here consist of an ultrasmooth gold layer with buried linear gratings. Using these devices and our phase measurement technique, we calculate a figure of merit that shows improvement over measuring only surface plasmon resonance shifts from a reflected intensity spectrum. To demonstrate the general-purpose versatility of our phase-resolved measurements, we also show numerical simulations with another common device architecture: periodic plasmonic slits. Since our technique inherently measures both the intensity and phase of the reflected or transmitted light simultaneously, quantitative sensor device characterization is possible.

Spectroscopic Detection of Caries Lesions

PubMed Central

Ruohonen, Mika; Palo, Katri; Alander, Jarmo

2013-01-01

Background. A caries lesion causes changes in the optical properties of the affected tissue. Currently a caries lesion can be detected only at a relatively late stage of development. Caries diagnosis also suffers from high interobserver variance. Methods. This is a pilot study to test the suitability of an optical diffuse reflectance spectroscopy for caries diagnosis. Reflectance visible/near-infrared spectroscopy (VIS/NIRS) was used to measure caries lesions and healthy enamel on extracted human teeth. The results were analysed with a computational algorithm in order to find a rule-based classification method to detect caries lesions. Results. The classification indicated that the measured points of enamel could be assigned to one of three classes: healthy enamel, a caries lesion, and stained healthy enamel. The features that enabled this were consistent with theory. Conclusions. It seems that spectroscopic measurements can help to reduce false positives at in vitro setting. However, further research is required to evaluate the strength of the evidence for the method's performance. PMID:27006907

CLASH-VLT: A highly precise strong lensing model of the galaxy cluster RXC J2248.7-4431 (Abell S1063) and prospects for cosmography

NASA Astrophysics Data System (ADS)

Caminha, G. B.; Grillo, C.; Rosati, P.; Balestra, I.; Karman, W.; Lombardi, M.; Mercurio, A.; Nonino, M.; Tozzi, P.; Zitrin, A.; Biviano, A.; Girardi, M.; Koekemoer, A. M.; Melchior, P.; Meneghetti, M.; Munari, E.; Suyu, S. H.; Umetsu, K.; Annunziatella, M.; Borgani, S.; Broadhurst, T.; Caputi, K. I.; Coe, D.; Delgado-Correal, C.; Ettori, S.; Fritz, A.; Frye, B.; Gobat, R.; Maier, C.; Monna, A.; Postman, M.; Sartoris, B.; Seitz, S.; Vanzella, E.; Ziegler, B.

2016-03-01

Aims: We perform a comprehensive study of the total mass distribution of the galaxy cluster RXC J2248.7-4431 (z = 0.348) with a set of high-precision strong lensing models, which take advantage of extensive spectroscopic information on many multiply lensed systems. In the effort to understand and quantify inherent systematics in parametric strong lensing modelling, we explore a collection of 22 models in which we use different samples of multiple image families, different parametrizations of the mass distribution and cosmological parameters. Methods: As input information for the strong lensing models, we use the Cluster Lensing And Supernova survey with Hubble (CLASH) imaging data and spectroscopic follow-up observations, with the VIsible Multi-Object Spectrograph (VIMOS) and Multi Unit Spectroscopic Explorer (MUSE) on the Very Large Telescope (VLT), to identify and characterize bona fide multiple image families and measure their redshifts down to mF814W ≃ 26. A total of 16 background sources, over the redshift range 1.0-6.1, are multiply lensed into 47 images, 24 of which are spectroscopically confirmed and belong to ten individual sources. These also include a multiply lensed Lyman-α blob at z = 3.118. The cluster total mass distribution and underlying cosmology in the models are optimized by matching the observed positions of the multiple images on the lens plane. Bayesian Markov chain Monte Carlo techniques are used to quantify errors and covariances of the best-fit parameters. Results: We show that with a careful selection of a large sample of spectroscopically confirmed multiple images, the best-fit model can reproduce their observed positions with a rms scatter of 0.̋3 in a fixed flat ΛCDM cosmology, whereas the lack of spectroscopic information or the use of inaccurate photometric redshifts can lead to biases in the values of the model parameters. We find that the best-fit parametrization for the cluster total mass distribution is composed of an elliptical pseudo-isothermal mass distribution with a significant core for the overall cluster halo and truncated pseudo-isothermal mass profiles for the cluster galaxies. We show that by adding bona fide photometric-selected multiple images to the sample of spectroscopic families, one can slightly improve constraints on the model parameters. In particular, we find that the degeneracy between the lens total mass distribution and the underlying geometry of the Universe, which is probed via angular diameter distance ratios between the lens and sources and the observer and sources, can be partially removed. Allowing cosmological parameters to vary together with the cluster parameters, we find (at 68% confidence level) Ωm = 0.25+ 0.13-0.16 and w = -1.07+ 0.16-0.42 for a flat ΛCDM model, and Ωm = 0.31+ 0.12-0.13 and ΩΛ = 0.38+ 0.38-0.27 for a Universe with w = -1 and free curvature. Finally, using toy models mimicking the overall configuration of multiple images and cluster total mass distribution, we estimate the impact of the line-of-sight mass structure on the positional rms to be 0.̋3 ± 0. We argue that the apparent sensitivity of our lensing model to cosmography is due to the combination of the regular potential shape of RXC J2248, a large number of bona fide multiple images out to z = 6.1, and a relatively modest presence of intervening large-scale structure, as revealed by our spectroscopic survey.

Hemodynamic measurements in deep brain tissues of humans by near-infrared time-resolved spectroscopy

NASA Astrophysics Data System (ADS)

Suzuki, Hiroaki; Oda, Motoki; Yamaki, Etsuko; Suzuki, Toshihiko; Yamashita, Daisuke; Yoshimoto, Kenji; Homma, Shu; Yamashita, Yutaka

2014-03-01

Using near-infrared time-resolved spectroscopy (TRS), we measured the human head in transmittance mode to obtain the optical properties, tissue oxygenation, and hemodynamics of deep brain tissues in 50 healthy adult volunteers. The right ear canal was irradiated with 3-wavelengths of pulsed light (760, 795, and 835nm), and the photons passing through the human head were collected at the left ear canal. Optical signals with sufficient intensity could be obtained from 46 of the 50 volunteers. By analyzing the temporal profiles based on the photon diffusion theory, we successfully obtained absorption coefficients for each wavelength. The levels of oxygenated hemoglobin (HbO2), deoxygenated hemoglobin (Hb), total hemoglobin (tHb), and tissue oxygen saturation (SO2) were then determined by referring to the hemoglobin spectroscopic data. Compared with the SO2 values for the forehead measurements in reflectance mode, the SO2 values of the transmittance measurements of the human head were approximately 10% lower, and tHb values of the transmittance measurements were always lower than those of the forehead reflectance measurements. Moreover, the level of hemoglobin and the SO2 were strongly correlated between the human head measurements in transmittance mode and the forehead measurements in the reflectance mode, respectively. These results demonstrated a potential application of this TRS system in examining deep brain tissues of humans.

Orthotopic AY-27 rat bladder urothelial cell carcinoma model presented an elevated methemoglobin proportion in the increased total hemoglobin content when evaluated in vivo by single-fiber reflectance spectroscopy

NASA Astrophysics Data System (ADS)

Sun, Tengfei; Davis, Carole A.; Hurst, Robert E.; Slaton, Joel W.; Piao, Daqing

2017-02-01

In vivo single-fiber reflectance spectroscopy (SfRS) was performed on an orthotopic AY-27 rat bladder urothelial cell carcinoma model to explore potential spectroscopic features revealing neoplastic changes. AY-27 bladder tumor cells were intravesically instilled in four rats and allowed to implant and grow for one week, with two additional rats as the control. A total of 107 SfRS measurements were taken from 27 sites on two control bladders and 80 from four AY-27 treated bladders. The spectral profiles obtained from AY-27 treated bladders revealed various levels of a methemoglobin (MetHb) characteristic spectral feature around 635nm. A multisegment spectral analysis method estimated concentrations of five chromophore compositions including oxyhemoglobin, deoxyhemoglobin, MetHb, lipid and water. The total hemoglobin concentration ([HbT]), the MetHb proportion in the total hemoglobin and the lipid volume content showed possible correlations. The 80 measurements from the AY-27 treated bladders could separate to three sub-sets according to the MetHb proportion. Specifically, 72 were in subset 1 with low proportion (5.3%<[MetHb]<7%), 6 in subset 2 with moderate proportion (7%<[MetHb]<30%), and 2 in subset 3 with significant proportion (>30%). When grouped according to [MetHB], the [HbT] increased from 368 μM of subset 1 to 488 μM of subset 2 to 541 μM of subset 3, in comparison to the 285 μM of the control. The increased total hemoglobin and the elevation of MetHb proportion may signify angiogenesis and degradation in hemoglobin oxygen-transport. Additionally, the lipid volume content decreased from 2.58% in the control to <0.2% in the tumor groups, indicating disruption of subepithelium tissue architecture.

Rapid measurement of human milk macronutrients in the neonatal intensive care unit: accuracy and precision of fourier transform mid-infrared spectroscopy.

PubMed

Smilowitz, Jennifer T; Gho, Deborah S; Mirmiran, Majid; German, J Bruce; Underwood, Mark A

2014-05-01

Although it is well established that human milk varies widely in macronutrient content, it remains common for human milk fortification for premature infants to be based on historic mean values. As a result, those caring for premature infants often underestimate protein intake. Rapid precise measurement of human milk protein, fat, and lactose to allow individualized fortification has been proposed for decades but remains elusive due to technical challenges. This study aimed to evaluate the accuracy and precision of a Fourier transform (FT) mid-infrared (IR) spectroscope in the neonatal intensive care unit to measure human milk fat, total protein, lactose, and calculated energy compared with standard chemical analyses. One hundred sixteen breast milk samples across lactation stages from women who delivered at term (n = 69) and preterm (n = 5) were analyzed with the FT mid-IR spectroscope and with standard chemical methods. Ten of the samples were tested in replicate using the FT mid-IR spectroscope to determine repeatability. The agreement between the FT mid-IR spectroscope analysis and reference methods was high for protein and fat and moderate for lactose and energy. The intra-assay coefficients of variation for all outcomes were less than 3%. The FT mid-IR spectroscope demonstrated high accuracy in measurement of total protein and fat of preterm and term milk with high precision.

Spectroscopic characterization of novel multilayer mirrors intended for astronomical and laboratory applications

NASA Astrophysics Data System (ADS)

Ragozin, Eugene N.; Mednikov, Konstantin N.; Pertsov, Andrei A.; Pirozhkov, Alexander S.; Reva, Anton A.; Shestov, Sergei V.; Ul'yanov, Artem S.; Vishnyakov, Eugene A.

2009-05-01

We report measurements of the reflection spectra of (i) concave (spherical and parabolic) Mo/Si, Mg/Si, and Al/Zr multilayer mirrors (MMs) intended for imaging solar spectroscopy in the framework of the TESIS/CORONAS-FOTON Satellite Project and of (ii) an aperiodic Mo/Si MM optimized for maximum uniform reflectivity in the 125-250 Å range intended for laboratory applications. The reflection spectra were measured in the configuration of a transmission grating spectrometer employing the radiation of a tungsten laser-driven plasma as the source. The function of detectors was fulfilled by backside-illuminated CCDs coated with Al or Zr/Si multilayer absorption filters. High-intensity second-order interference reflection peaks at wavelengths of about 160 Å were revealed in the reflection spectra of the 304-Å Mo/Si MMs. By contrast, the second-order reflection peak in the spectra of the new-generation narrow-band (~12 Å FWHM) 304-Å Mg/Si MMs is substantially depressed. Manifestations of the NEXAFS structure of the L2, 3 absorption edges of Al and Al2O3 were observed in the spectra recorded. The broadband Mo/Si MM was employed as the focusing element of spectrometers in experiments involving (i) the charge exchange of multiply charged ions with the donor atoms of a rare-gas jet; (ii) the spectroscopic characterization of a debris-free soft X-ray radiation source excited by Nd laser pulses in a Xe jet (iii) near-IR-to-soft-X-ray frequency conversion (double Doppler effect) occurring in the retroreflection from the relativistic electron plasma wake wave (flying mirror) driven by a multiterawatt laser in a pulsed helium jet.

Screening the low molecular weight fraction of human serum using ATR-IR spectroscopy.

PubMed

Bonnier, Franck; Brachet, Guillaume; Duong, Romain; Sojinrin, Tobiloba; Respaud, Renaud; Aubrey, Nicolas; Baker, Matthew J; Byrne, Hugh J; Chourpa, Igor

2016-10-01

Vibrational spectroscopic techniques can detect small variations in molecular content, linked with disease, showing promise for screening and early diagnosis. Biological fluids, particularly blood serum, are potentially valuable for diagnosis purposes. The so-called Low Molecular Weight Fraction (LMWF) contains the associated peptidome and metabolome and has been identified as potentially the most relevant molecular population for disease-associated biomarker research. Although vibrational spectroscopy can deliver a specific chemical fingerprint of the samples, the High Molecular Weight Fraction (HMWF), composed of the most abundant serum proteins, strongly dominates the response and ultimately makes the detection of minor spectral variations a challenging task. Spectroscopic detection of potential serum biomarkers present at relatively low concentrations can be improved using pre-analytical depletion of the HMWF. In the present study, human serum fractionation by centrifugal filtration was used prior to analysis by Attenuated Total Reflection infrared spectroscopy. Using a model sample based on glycine spiked serum, it is demonstrated that the screening of the LMWF can be applied to quantify blinded concentrations up to 50 times lower. Moreover, the approach is easily transferable to different bodily fluids which would support the development of more efficient and suitable clinical protocols exploring vibrational spectroscopy based ex-vivo diagnostic tools. Revealing serum LMWF for spectral serological diagnostic applications. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Optical and spectroscopic studies on tannery wastes as a possible source of organic semiconductors.

PubMed

Nashy, El-Shahat H A; Al-Ashkar, Emad; Moez, A Abdel

2012-02-01

Tanning industry produces a large quantity of solid wastes which contain hide proteins in the form of protein shavings containing chromium salts. The chromium wastes are the main concern from an environmental stand point of view, because chrome wastes posses a significant disposal problem. The present work is devoted to investigate the possibility of utilizing these wastes as a source of organic semi-conductors as an alternative method instead of the conventional ones. The chemical characterization of these wastes was determined. In addition, the Horizontal Attenuated Total Reflection (HATR) FT-IR spectroscopic analysis and optical parameters were also carried out for chromated samples. The study showed that the chromated samples had suitable absorbance and transmittance in the wavelength range (500-850 nm). Presence of chromium salt in the collagen samples increases the absorbance which improves the optical properties of the studied samples and leads to decrease the optical energy gap. The obtained optical energy gap gives an impression that the environmentally hazardous chrome shavings wastes can be utilized as a possible source of natural organic semiconductors with direct and indirect energy gap. This work opens the door to use some hazardous wastes in the manufacture of electronic devices such as IR-detectors, solar cells and also as solar cell windows. Copyright © 2011 Elsevier B.V. All rights reserved.

Orientation determination of interfacial beta-sheet structures in situ.

PubMed

Nguyen, Khoi Tan; King, John Thomas; Chen, Zhan

2010-07-01

Structural information such as orientations of interfacial proteins and peptides is important for understanding properties and functions of such biological molecules, which play crucial roles in biological applications and processes such as antimicrobial selectivity, membrane protein activity, biocompatibility, and biosensing performance. The alpha-helical and beta-sheet structures are the most widely encountered secondary structures in peptides and proteins. In this paper, for the first time, a method to quantify the orientation of the interfacial beta-sheet structure using a combined attenuated total reflectance Fourier transformation infrared spectroscopic (ATR-FTIR) and sum frequency generation (SFG) vibrational spectroscopic study was developed. As an illustration of the methodology, the orientation of tachyplesin I, a 17 amino acid peptide with an antiparallel beta-sheet, adsorbed to polymer surfaces as well as associated with a lipid bilayer was determined using the regular and chiral SFG spectra, together with polarized ATR-FTIR amide I signals. Both the tilt angle (theta) and the twist angle (psi) of the beta-sheet at interfaces are determined. The developed method in this paper can be used to obtain in situ structural information of beta-sheet components in complex molecules. The combination of this method and the existing methodology that is currently used to investigate alpha-helical structures will greatly broaden the application of optical spectroscopy in physical chemistry, biochemistry, biophysics, and structural biology.

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.

AVIRIS data calibration information: Wasatch Mountains and Park City region, Utah

USGS Publications Warehouse

Rockwell, Barnaby W.; Clark, Roger N.; Livo, K. Eric; McDougal, Robert R.; Kokaly, Raymond F.

2002-01-01

This report contains information regarding the reflectance calibration of spectroscopic imagery acquired over the Wasatch Mountains and Park City region, Utah, by the Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) sensor on August 5, 1998. This information was used by the USGS Spectroscopy Laboratory to calibrate the Park City AVIRIS imagery to unitless reflectance prior to spectral analysis.  The Utah AVIRIS data were analyzed as a part of the USEPA-USGS Utah Abandoned Mine Lands Imaging Spectroscopy Project.

Determination of the refractive index of glucose-ethanol-water mixtures using spectroscopic refractometry near the critical angle.

PubMed

Sobral, H; Peña-Gomar, M

2015-10-01

A spectroscopic refractometer was used to investigate the dispersion curves of ethanol and D-glucose solutions in water near the critical angle; here, the reflectivity was measured using a white source. Dispersion curves were obtained in the 320-1000 nm wavelength range with a resolution better than 10(-4) for the refractive index, n. The differential refractive index is measured as a function of wavelength, and a simple expression is proposed to obtain the refractive index of the glucose-ethanol-water ternary system. Using this expression, combined with the experimental differential refractive index values, the concentrations of individual components can be calculated.

Spectroscopy by joint spectral and time domain optical coherence tomography

NASA Astrophysics Data System (ADS)

Szkulmowski, Maciej; Tamborski, Szymon; Wojtkowski, Maciej

2015-03-01

We present the methodology for spectroscopic examination of absorbing media being the combination of Spectral Optical Coherence Tomography and Fourier Transform Spectroscopy. The method bases on the joint Spectral and Time OCT computational scheme and simplifies data analysis procedure as compared to the mostly used windowing-based Spectroscopic OCT methods. The proposed experimental setup is self-calibrating in terms of wavelength-pixel assignment. The performance of the method in measuring absorption spectrum was checked with the use of the reflecting phantom filled with the absorbing agent (indocyanine green). The results show quantitative accordance with the controlled exact results provided by the reference method.

On the anomalous adsorption of [Pd(edta)]2- at the water/Goethite interface: spectroscopic evidence for two types of surface complexes.

PubMed

Kaplun, Marina; Nordin, Agneta; Persson, Per

2008-01-15

The structure of palladium(II) ethylenediaminetetraacetate (edta) in aqueous solutions and its adsorption on the surface of goethite (alpha-FeOOH) were studied using extended X-ray absorption fine structure spectroscopy and attenuated total reflection Fourier transform infrared spectroscopy. The obtained results show that in aqueous solutions, Pd-edta exists as a 1:1 complex, [Pd(edta)]2-, with edta acting as a quadridentate ligand. On the surface of goethite, [Pd(edta)]2- forms two different types of complexes over a pH range of 3.40-8.12. At pH < 5, [Pd(edta)]2- adsorbs as an outer-sphere species with possible hydrogen bonding. At higher pH values, the formation of inner-sphere complexes of the cation-type sets in after a cleavage of one glycinate ring and the formation of an (edta)Pd-O-Fe linkage.

Fast, Low-Cost and Non-Destructive Physico-Chemical Analysis of Virgin Olive Oils Using Near-Infrared Reflectance Spectroscopy

PubMed Central

Garrido-Varo, Ana; Sánchez, María-Teresa; De la Haba, María-José; Torres, Irina; Pérez-Marín, Dolores

2017-01-01

Near-Infrared (NIR) Spectroscopy was used for the non-destructive assessment of physico-chemical quality parameters in olive oil. At the same time, the influence of the sample presentation mode (spinning versus static cup) was evaluated using two spectrophotometers with similar optical characteristics. A total of 478 olive oil samples were used to develop calibration models, testing various spectral signal pre-treatments. The models obtained by applying MPLS regression to spectroscopic data yielded promising results for olive oil quality measurements, particularly for acidity, the peroxide index and alkyl and ethyl ester content. The results obtained indicate that this non-invasive technology can be used successfully by the olive oil sector to categorize olive oils, to detect potential fraud and to provide consumers with more reliable information. Although both sample presentation modes yielded comparable results, equations constructed with samples scanned using the spinning mode provided greater predictive capacity. PMID:29144417

Investigation on the adsorption characteristics of sodium benzoate and taurine on gold nanoparticle film by ATR-FTIR spectroscopy

NASA Astrophysics Data System (ADS)

Kumar, Naveen; Thomas, S.; Tokas, R. B.; Kshirsagar, R. J.

2014-01-01

Fourier transform infrared (FTIR) spectroscopic studies of sodium benzoate and taurine adsorbed on gold nanoparticle (AuNp) film on silanised glass slides have been studied by attenuated total reflection technique (ATR). The surface morphology of the AuNp films has been measured by Atomic Force Microscopy. The ATR spectra of sodium benzoate and taurine deposited on AuNp film are compared with ATR spectra of their powdered bulk samples. A new red-shifted band appeared along with the symmetric and asymmetric stretches of carboxylate group of sodium benzoate leading to a broadening of the above peaks. Similar behavior is also seen in the case of symmetric and asymmetric stretches of sulphonate group of taurine. The results indicate presence of both chemisorbed and physisorbed layers of both sodium benzoate and taurine on the AuNp film with bottom layer chemically bound to AuNp through carboxylate and sulphonate groups respectively.

Study of receptor-chaperone interactions using the optical technique of spectroscopic ellipsometry.

PubMed

Kriechbaumer, Verena; Tsargorodskaya, Anna; Mustafa, Mohd K; Vinogradova, Tatiana; Lacey, Joanne; Smith, David P; Abell, Benjamin M; Nabok, Alexei

2011-07-20

This work describes a detailed quantitative interaction study between the novel plastidial chaperone receptor OEP61 and isoforms of the chaperone types Hsp70 and Hsp90 using the optical method of total internal reflection ellipsometry (TIRE). The receptor OEP61 was electrostatically immobilized on a gold surface via an intermediate layer of polycations. The TIRE measurements allowed the evaluation of thickness changes in the adsorbed molecular layers as a result of chaperone binding to receptor proteins. Hsp70 chaperone isoforms but not Hsp90 were shown to be capable of binding OEP61. Dynamic TIRE measurements were carried out to evaluate the affinity constants of the above reactions and resulted in clear discrimination between specific and nonspecific binding of chaperones as well as differences in binding properties between the highly similar Hsp70 isoforms. Copyright © 2011 Biophysical Society. Published by Elsevier Inc. All rights reserved.

2DCOS and PCMW2D analysis of FT-IR/ATR spectra measured at variable temperatures on-line to a polyurethane polymerization

NASA Astrophysics Data System (ADS)

Schuchardt, Patrick; Unger, Miriam; Siesler, Heinz W.

2018-01-01

In the present communication the potential of 2DCOS analysis and the spin-off technique perturbation-correlation moving window 2D (PCMW2D) analysis is illustrated with reference to spectroscopic changes observed in a data set recorded by in-line fiber-coupled FT-IR spectroscopy in the attenuated total reflection (ATR) mode during a polyurethane solution polymerization at different temperatures. In view of the chemical functionalities involved, hydrogen bonding plays an important role in this polymerization reaction. Based on the 2DCOS and PCMW2D analysis, the sequence of hydrogen bonding changes accompanying the progress of polymerization and precipitation of solid polymer can be determined. Complementary to the kinetic data derived from the original variable-temperature spectra in a previous publication the results provide a more detailed picture of the investigated solution polymerization.

Application of Fourier transform midinfrared spectroscopy to the discrimination between Irish artisanal honey and such honey adulterated with various sugar syrups.

PubMed

Kelly, J Daniel; Petisco, Cristina; Downey, Gerard

2006-08-23

A collection of authentic artisanal Irish honeys (n = 580) and certain of these honeys adulterated by fully inverted beet syrup (n = 280), high-fructose corn syrup (n = 160), partial invert cane syrup (n = 120), dextrose syrup (n = 160), and beet sucrose (n = 120) was assembled. All samples were adjusted to 70 degrees Bx and scanned in the midinfrared region (800-4000 cm(-1)) by attenuated total reflectance sample accessory. By use of soft independent modeling of class analogy (SIMCA) and partial least-squares (PLS) classification, authentic honey and honey adulterated by beet sucrose, dextrose syrups, and partial invert corn syrup could be identified with correct classification rates of 96.2%, 97.5%, 95.8%, and 91.7%, respectively. This combination of spectroscopic technique and chemometric methods was not able to unambiguously detect adulteration by high-fructose corn syrup or fully inverted beet syrup.

Potential of mid-infrared spectroscopy as a non-invasive diagnostic test in urine for endometrial or ovarian cancer.

PubMed

Paraskevaidi, Maria; Morais, Camilo L M; Lima, Kássio M G; Ashton, Katherine M; Stringfellow, Helen F; Martin-Hirsch, Pierre L; Martin, Francis L

2018-06-07

The current lack of an accurate, cost-effective and non-invasive test that would allow for screening and diagnosis of gynaecological carcinomas, such as endometrial and ovarian cancer, signals the necessity for alternative approaches. The potential of spectroscopic techniques in disease investigation and diagnosis has been previously demonstrated. Here, we used attenuated total reflection Fourier-transform infrared (ATR-FTIR) spectroscopy to analyse urine samples from women with endometrial (n = 10) and ovarian cancer (n = 10), as well as from healthy individuals (n = 10). After applying multivariate analysis and classification algorithms, biomarkers of disease were pointed out and high levels of accuracy were achieved for both endometrial (95% sensitivity, 100% specificity; accuracy: 95%) and ovarian cancer (100% sensitivity, 96.3% specificity; accuracy 100%). The efficacy of this approach, in combination with the non-invasive method for urine collection, suggest a potential diagnostic tool for endometrial and ovarian cancers.

Anti-Corrosion Performance of 1,3-BENZOTHIAZOLE on 410 Martensitic Stainless Steel in H2SO4

NASA Astrophysics Data System (ADS)

Loto, Roland Tolulope

The corrosion inhibition effect of synthesized 1,3-benzothiazole at very low concentrations on 410 martensitic stainless steel in 3MH2SO4 solution was studied through potentiodynamic polarization and weight loss measurements. The observation showed that the organic compound performed effectively with average inhibition efficiencies of 94% and 98% at the concentrations studied from both electrochemical methods due to the inhibition action of protonated inhibitor molecules in the acid solution. The amine and aromatics functional groups of the molecules active in the corrosion inhibition reaction were exposed from Attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR) spectroscopic analysis. Thermodynamic calculations showed cationic adsorption to be chemisorption adsorption, obeying the Langmuir adsorption isotherm. Images from optical microscopy showed an improved morphology in comparison to images from corroded stainless steel. Severe surface deterioration and macro-pits were observed in the uninhibited samples.

Optical anisotropy of Bi2Sr2CaCu2O8

NASA Astrophysics Data System (ADS)

Kim, J. H.; Bozovic, I.; Mitzi, D. B.; Kapitulnik, A.; Harris, J. S., Jr.

1990-04-01

The optical anisotropy of Bi2Sr2CaCu2O8 in the 0.08-0.5-eV region is investigated by polarized reflectance measurements on single crystals. A very large anisotropy is found in this spectral region. The in-plane reflectance exhibits metallic behavior, while the c-axis reflectance exhibits insulatorlike behavior. This result is consistent with the large anisotropy found in the resistivity of Bi2Sr2CaCu2O8. Our spectroscopic data suggest that Bi2Sr2CaCu2O8 is a quasi-two-dimensional metal similar to La2-xSrxCuO4.

Hand-held optical imager (Gen-2): improved instrumentation and target detectability

PubMed Central

Gonzalez, Jean; DeCerce, Joseph; Erickson, Sarah J.; Martinez, Sergio L.; Nunez, Annie; Roman, Manuela; Traub, Barbara; Flores, Cecilia A.; Roberts, Seigbeh M.; Hernandez, Estrella; Aguirre, Wenceslao; Kiszonas, Richard

2012-01-01

Abstract. Hand-held optical imagers are developed by various researchers towards reflectance-based spectroscopic imaging of breast cancer. Recently, a Gen-1 handheld optical imager was developed with capabilities to perform two-dimensional (2-D) spectroscopic as well as three-dimensional (3-D) tomographic imaging studies. However, the imager was bulky with poor surface contact (∼30%) along curved tissues, and limited sensitivity to detect targets consistently. Herein, a Gen-2 hand-held optical imager that overcame the above limitations of the Gen-1 imager has been developed and the instrumentation described. The Gen-2 hand-held imager is less bulky, portable, and has improved surface contact (∼86%) on curved tissues. Additionally, the forked probe head design is capable of simultaneous bilateral reflectance imaging of both breast tissues, and also transillumination imaging of a single breast tissue. Experimental studies were performed on tissue phantoms to demonstrate the improved sensitivity in detecting targets using the Gen-2 imager. The improved instrumentation of the Gen-2 imager allowed detection of targets independent of their location with respect to the illumination points, unlike in Gen-1 imager. The developed imager has potential for future clinical breast imaging with enhanced sensitivity, via both reflectance and transillumination imaging. PMID:23224163

Announcing the Availability of the MIT SMASS and SMASSIR Data Sets

NASA Technical Reports Server (NTRS)

Binzel, R. P.; Bus, S. J.; Burbine, T. H.; Rivkin, A. S.

2001-01-01

We announce the release of visible and near-infrared reflectance spectroscopy measurements for nearly 2000 asteroids obtained by the MIT Small Main-Belt Asteroid Spectroscopic Survey (SMASS) program. Data are being released via http://smass.mit.edu. Additional information is contained in the original extended abstract.

Rapid non-destructive assessment of pork edible quality by using VIS/NIR spectroscopic technique

NASA Astrophysics Data System (ADS)

Zhang, Leilei; Peng, Yankun; Dhakal, Sagar; Song, Yulin; Zhao, Juan; Zhao, Songwei

2013-05-01

The objectives of this research were to develop a rapid non-destructive method to evaluate the edible quality of chilled pork. A total of 42 samples were packed in seal plastic bags and stored at 4°C for 1 to 21 days. Reflectance spectra were collected from visible/near-infrared spectroscopy system in the range of 400nm to 1100nm. Microbiological, physicochemical and organoleptic characteristics such as the total viable counts (TVC), total volatile basic-nitrogen (TVB-N), pH value and color parameters L* were determined to appraise pork edible quality. Savitzky-Golay (SG) based on five and eleven smoothing points, Multiple Scattering Correlation (MSC) and first derivative pre-processing methods were employed to eliminate the spectra noise. The support vector machines (SVM) and partial least square regression (PLSR) were applied to establish prediction models using the de-noised spectra. A linear correlation was developed between the VIS/NIR spectroscopy and parameters such as TVC, TVB-N, pH and color parameter L* indexes, which could gain prediction results with Rv of 0.931, 0.844, 0.805 and 0.852, respectively. The results demonstrated that VIS/NIR spectroscopy technique combined with SVM possesses a powerful assessment capability. It can provide a potential tool for detecting pork edible quality rapidly and non-destructively.

Spectral data of specular reflectance, narrow-angle transmittance and angle-resolved surface scattering of materials for solar concentrators.

PubMed

Good, Philipp; Cooper, Thomas; Querci, Marco; Wiik, Nicolay; Ambrosetti, Gianluca; Steinfeld, Aldo

2016-03-01

The spectral specular reflectance of conventional and novel reflective materials for solar concentrators is measured with an acceptance angle of 17.5 mrad over the wavelength range 300-2500 nm at incidence angles 15-60° using a spectroscopic goniometry system. The same experimental setup is used to determine the spectral narrow-angle transmittance of semi-transparent materials for solar collector covers at incidence angles 0-60°. In addition, the angle-resolved surface scattering of reflective materials is recorded by an area-scan CCD detector over the spectral range 350-1050 nm. A comprehensive summary, discussion, and interpretation of the results are included in the associated research article "Spectral reflectance, transmittance, and angular scattering of materials for solar concentrators" in Solar Energy Materials and Solar Cells.

Measurement of two-dimensional thickness of micro-patterned thin film based on image restoration in a spectroscopic imaging reflectometer.

PubMed

Kim, Min-Gab; Kim, Jin-Yong

2018-05-01

In this paper, we introduce a method to overcome the limitation of thickness measurement of a micro-patterned thin film. A spectroscopic imaging reflectometer system that consists of an acousto-optic tunable filter, a charge-coupled-device camera, and a high-magnitude objective lens was proposed, and a stack of multispectral images was generated. To secure improved accuracy and lateral resolution in the reconstruction of a two-dimensional thin film thickness, prior to the analysis of spectral reflectance profiles from each pixel of multispectral images, the image restoration based on an iterative deconvolution algorithm was applied to compensate for image degradation caused by blurring.

Multiband Photometric and Spectroscopic Analysis of HV Cnc

NASA Astrophysics Data System (ADS)

Gökay, G.; Gürol, B.; Derman, E.

2013-11-01

In this paper, radial velocity and VI- and JHKS - (Two Micron All Sky Survey) band photometric data of the detached system HV Cnc have been analyzed. The primary component of HV Cnc, which is a member of the M67 cluster, is suspected to be either a blue straggler or turn-off star. The system is a single-lined spectroscopic binary and its light curve shows a total eclipse. Spectroscopic observations of the system revealed the third component, which shows contribution to the total light of the system. Light curve and radial velocity data have been analyzed using the Wilson-Devinney (W-D) code and JHKS filter definitions computed for the W-D code in this work. Our analysis shows that the mass and radius of the primary and secondary components are 1.31 M ⊙, 0.52 M ⊙, 1.87 R ⊙, and 0.48 R ⊙, respectively. All results are compared with previously published literature values and discussed.

MULTIBAND PHOTOMETRIC AND SPECTROSCOPIC ANALYSIS OF HV Cnc

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

Gökay, G.; Gürol, B.; Derman, E., E-mail: ggokay@science.ankara.edu.tr

2013-11-01

In this paper, radial velocity and VI- and JHK{sub S} - (Two Micron All Sky Survey) band photometric data of the detached system HV Cnc have been analyzed. The primary component of HV Cnc, which is a member of the M67 cluster, is suspected to be either a blue straggler or turn-off star. The system is a single-lined spectroscopic binary and its light curve shows a total eclipse. Spectroscopic observations of the system revealed the third component, which shows contribution to the total light of the system. Light curve and radial velocity data have been analyzed using the Wilson-Devinney (W-D)more » code and JHK{sub S} filter definitions computed for the W-D code in this work. Our analysis shows that the mass and radius of the primary and secondary components are 1.31 M {sub ☉}, 0.52 M {sub ☉}, 1.87 R {sub ☉}, and 0.48 R {sub ☉}, respectively. All results are compared with previously published literature values and discussed.« less

Usefulness of charge-transfer complexation for the assessment of sympathomimetic drugs: Spectroscopic properties of drug ephedrine hydrochloride complexed with some π-acceptors

NASA Astrophysics Data System (ADS)

Refat, Moamen S.; Ibrahim, Omar B.; Saad, Hosam A.; Adam, Abdel Majid A.

2014-05-01

Recently, ephedrine (Eph) assessment in food products, pharmaceutical formulations, human fluids of athletes and detection of drug toxicity and abuse, has gained a growing interest. To provide basic data that can be used to assessment of Eph quantitatively based on charge-transfer (CT) complexation, the CT complexes of Eph with 7‧,8,8‧-tetracyanoquinodimethane (TCNQ), dichlorodicyanobenzoquinone (DDQ), 1,3-dinitrobenzene (DNB) or tetrabromothiophene (TBT) were synthesized and spectroscopically investigated. The newly synthesized complexes have been characterized via elemental analysis, IR, Raman, 1H NMR, and UV-visible spectroscopy. The formation constant (KCT), molar extinction coefficient (εCT) and other spectroscopic data have been determined using the Benesi-Hildebrand method and its modifications. The sharp, well-defined Bragg reflections at specific 2θ angles have been identified from the powder X-ray diffraction patterns. Thermal decomposition behavior of these complexes was also studied, and their kinetic thermodynamic parameters were calculated with Coats-Redfern and Horowitz-Metzger equations.

NIR reflectance spectroscopic method for nondestructive moisture content determination of in-shell peanuts

USDA-ARS?s Scientific Manuscript database

Most of the commercial instruments presently available to determine the moisture content (MC) of peanuts need shelling and cleaning of the peanut samples, and in some cases some sort of sample preparation such as grinding. This is cumbersome, time consuming and destructive. It would be useful if t...

NIR Reflectance Spectroscopic Method for Nondestructive Moisture Content Determination of In Peanut Kernels

USDA-ARS?s Scientific Manuscript database

Most of the commercial instruments presently available to determine the moisture content (MC) of peanuts need shelling and cleaning of the peanut samples, and in some cases some sort of sample preparation such as grinding. This is cumbersome, time consuming and destructive. It would be useful if t...

A redetermination of the Uranus rotation period

NASA Technical Reports Server (NTRS)

Trauger, J. T.; Roesler, F. L.; Muench, G.

1978-01-01

The rotation velocity of Uranus has been measured by a comparison of spectroscopic profiles for the 5281.8 A Fraunhofer line reflected from Uranus and the moon. This method yields a rotation velocity which is insensitive to atmospheric seeing conditions. Our value for the equatorial velocity is 3.5 + or - 0.4 km/sec.

Widely Tunable Mode-Hop-Free External-Cavity Quantum Cascade Laser

NASA Technical Reports Server (NTRS)

Wysocki, Gerard; Curl, Robert F.; Tittel, Frank K.

2010-01-01

The external-cavity quantum cascade laser (EC-QCL) system is based on an optical configuration of the Littrow type. It is a room-temperature, continuous wave, widely tunable, mode-hop-free, mid-infrared, EC-QCL spectroscopic source. It has a single-mode tuning range of 155 cm(exp -1) (approximately equal to 8% of the center wavelength) with a maximum power of 11.1 mW and 182 cm(exp -1) (approximately equal to 15% of the center wavelength), and a maximum power of 50 mW as demonstrated for 5.3 micron and 8.4 micron EC-QCLs, respectively. This technology is particularly suitable for high-resolution spectroscopic applications, multi-species tracegas detection, and spectroscopic measurements of broadband absorbers. Wavelength tuning of EC-QCL spectroscopic source can be implemented by varying three independent parameters of the laser: (1) the optical length of the gain medium (which, in this case, is equivalent to QCL injection current modulation), (2) the length of the EC (which can be independently varied in the Rice EC-QCL setup), and (3) the angle of beam incidence at the diffraction grating (frequency tuning related directly to angular dispersion of the grating). All three mechanisms of frequency tuning have been demonstrated and are required to obtain a true mode-hop-free laser frequency tuning. The precise frequency tuning characteristics of the EC-QCL output have been characterized using a variety of diagnostic tools available at Rice University (e.g., a monochromator, FTIR spectrometer, and a Fabry-Perot spectrometer). Spectroscopic results were compared with available databases (such as HITRAN, PNNL, EPA, and NIST). These enable precision verification of complete spectral parameters of the EC-QCL, such as wavelength, tuning range, tuning characteristics, and line width. The output power of the EC-QCL is determined by the performance of the QC laser chip, its operating conditions, and parameters of the QC laser cavity such as mirror reflectivity or intracavity losses. In order to maximize the output power, an analysis and optimization of the EC laser parameters has been performed. The parameters of the beam emitted from the gain medium, such as divergence angle, beam profile, and astigmatism, have been investigated. The gain medium has been fully characterized before and after each stage of modification. The main modification steps are coating one facet of the gain chip with a high reflectivity mirror and the other facet with an anti-reflection layer. Then the chip is mounted in the EC-QCL. The optomechanical design has been reviewed and improved to provide for precise collimation of the strongly divergent beam of the QCL and the tuning diffraction grating.

Study of structure and antireflective properties of LaF3/HfO2/SiO2 and LaF3/HfO2/MgF2 trilayers for UV applications

NASA Astrophysics Data System (ADS)

Marszalek, K.; Jaglarz, J.; Sahraoui, B.; Winkowski, P.; Kanak, J.

2015-01-01

The aim of this paper is to study antireflective properties of the tree-layer systems LaF3/HfO2/SiO2 and LaF3/HfO2/MgF2 deposited on heated optical glass substrates. The films were evaporated by the use two deposition techniques. In first method oxide films were prepared by means of e-gun evaporation in vacuum of 5 × 10-5 mbar in the presence of oxygen. The second was used for the deposition of fluoride films. They were obtained by means of thermal source evaporation. Simulation of reflectance was performed for 1M2H1L (Quarter Wavelength Optical Thickness) film stack on an optical quartz glass with the refractive index n = 1.46. The layer thickness was optimized to achieve the lowest light scattering from glass surface covered with dioxide and fluoride films. The values of the interface roughness were determined through atomic force microscopy measurements. The essence of performed calculation was to find minimum reflectance of light in wide ultraviolet region. The spectral dispersion of the refractive index needed for calculations was determined from ellipsometric measurements using the spectroscopic ellipsometer M2000. Additionally, the total reflectance measurements in integrating sphere coupled with Perkin Elmer 900 spectrophotometer were performed. These investigations allowed to determine the influence of such film features like surface and interface roughness on light scattering.

A Tape Method for Fast Characterization and Identification of Active Pharmaceutical Ingredients in the 2-18 THz Spectral Range

NASA Astrophysics Data System (ADS)

Kissi, Eric Ofosu; Bawuah, Prince; Silfsten, Pertti; Peiponen, Kai-Erik

2015-03-01

In order to find counterfeit drugs quickly and reliably, we have developed `tape method' a transmission spectroscopic terahertz (THz) measurement technique and compared it with a standard attenuated total reflection (ATR) THz spectroscopic measurement. We used well-known training samples, which include commercial paracetamol and aspirin tablets to check the validity of these two measurement techniques. In this study, the spectral features of some active pharmaceutical ingredients (APIs), such as aspirin and paracetamol are characterized for identification purpose. This work covers a wide THz spectral range namely, 2-18 THz. This proposed simple but novel technique, the tape method, was used for characterizing API and identifying their presence in their dosage forms. By comparing the spectra of the APIs to their dosage forms (powder samples), all distinct fingerprints present in the APIs are also present in their respective dosage forms. The positions of the spectral features obtained with the ATR techniques were akin to that obtained from the tape method. The ATR and the tape method therefore, complement each other. The presence of distinct fingerprints in this spectral range has highlighted the possibility of developing fast THz sensors for the screening of pharmaceuticals. It is worth noting that, the ATR method is applicable to flat faced tablets whereas the tape method is suitable for powders in general (e.g. curved surface tablets that require milling before measurement). Finally, we have demonstrated that ATR techniques can be used to screen counterfeit antimalarial tablets.

Phytochemicals content and antioxidant properties of sea buckthorn (Hippophae rhamnoides L.) as affected by heat treatment - Quantitative spectroscopic and kinetic approaches.

PubMed

Ursache, Florentina-Mihaela; Ghinea, Ioana Otilia; Turturică, Mihaela; Aprodu, Iuliana; Râpeanu, Gabriela; Stănciuc, Nicoleta

2017-10-15

The effect of thermal processing (50-100°C) on the degradation of the phytochemicals in sea buckthorn extract was investigated using chromatographic, fluorescence and FT-IR spectroscopy techniques and degradation kinetics. Heating the sea buckthorn extract resulted in structural changes that led to red- or blue-shifts in maximum emission, depending on temperature and excitation wavelengths. The attenuated total reflectance analysis of the sea buckthorn extract revealed a satisfactory thermostability of compounds at high temperatures. A fractional conversion kinetic model was used to describe the mechanism of degradation in terms of rate and activation energy. Activation energies for total carotenoids, polyphenolic, flavonoids, and antioxidant activity were 8.45±0.93kJ/mol, 2.50±0.66kJ/mol, 22.50±7.26kJ/mol and 15.22±2.75kJ/mol, respectively. The kinetic parameters evidence a higher thermal stability of carotenoids and polyphenols, suggesting higher degradation rates for flavonoids and antioxidant activity. Our results demonstrate that industrial process optimization in terms of time-temperature combinations demands product specific kinetic data. Copyright © 2017 Elsevier Ltd. All rights reserved.

Multiple-wavelength spectroscopic quantitation of light-absorbing species in scattering media

DOEpatents

Nathel, Howard; Cartland, Harry E.; Colston, Jr., Billy W.; Everett, Matthew J.; Roe, Jeffery N.

2000-01-01

An oxygen concentration measurement system for blood hemoglobin comprises a multiple-wavelength low-coherence optical light source that is coupled by single mode fibers through a splitter and combiner and focused on both a target tissue sample and a reference mirror. Reflections from both the reference mirror and from the depths of the target tissue sample are carried back and mixed to produce interference fringes in the splitter and combiner. The reference mirror is set such that the distance traversed in the reference path is the same as the distance traversed into and back from the target tissue sample at some depth in the sample that will provide light attenuation information that is dependent on the oxygen in blood hemoglobin in the target tissue sample. Two wavelengths of light are used to obtain concentrations. The method can be used to measure total hemoglobin concentration [Hb.sub.deoxy +Hb.sub.oxy ] or total blood volume in tissue and in conjunction with oxygen saturation measurements from pulse oximetry can be used to absolutely quantify oxyhemoglobin [HbO.sub.2 ] in tissue. The apparatus and method provide a general means for absolute quantitation of an absorber dispersed in a highly scattering medium.

Chemical mapping of pharmaceutical cocrystals using terahertz spectroscopic imaging.

PubMed

Charron, Danielle M; Ajito, Katsuhiro; Kim, Jae-Young; Ueno, Yuko

2013-02-19

Terahertz (THz) spectroscopic imaging is a promising technique for distinguishing pharmaceuticals of similar molecular composition but differing crystal structures. Physicochemical properties, for instance bioavailability, are manipulated by altering a drug's crystal structure through methods such as cocrystallization. Cocrystals are molecular complexes having crystal structures different from those of their pure components. A technique for identifying the two-dimensional distribution of these alternate forms is required. Here we present the first demonstration of THz spectroscopic imaging of cocrystals. THz spectra of caffeine-oxalic acid cocrystal measured at low temperature exhibit sharp peaks, enabling us to visualize the cocrystal distribution in nonuniform tablets. The cocrystal distribution was clearly identified using THz spectroscopic data, and the cocrystal concentration was calculated with 0.3-1.3% w/w error from the known total concentration. From this result, THz spectroscopy allows quantitative chemical mapping of cocrystals and offers researchers and drug developers a new analytical tool.

Infrared Spectroscopy of Pollen Identifies Plant Species and Genus as Well as Environmental Conditions

PubMed Central

Zimmermann, Boris; Kohler, Achim

2014-01-01

Background It is imperative to have reliable and timely methodologies for analysis and monitoring of seed plants in order to determine climate-related plant processes. Moreover, impact of environment on plant fitness is predominantly based on studies of female functions, while the contribution of male gametophytes is mostly ignored due to missing data on pollen quality. We explored the use of infrared spectroscopy of pollen for an inexpensive and rapid characterization of plants. Methodology The study was based on measurement of pollen samples by two Fourier transform infrared techniques: single reflectance attenuated total reflectance and transmission measurement of sample pellets. The experimental set, with a total of 813 samples, included five pollination seasons and 300 different plant species belonging to all principal spermatophyte clades (conifers, monocotyledons, eudicots, and magnoliids). Results The spectroscopic-based methodology enables detection of phylogenetic variations, including the separation of confamiliar and congeneric species. Furthermore, the methodology enables measurement of phenotypic plasticity by the detection of inter-annual variations within the populations. The spectral differences related to environment and taxonomy are interpreted biochemically, specifically variations of pollen lipids, proteins, carbohydrates, and sporopollenins. The study shows large variations of absolute content of nutrients for congenital species pollinating in the same environmental conditions. Moreover, clear correlation between carbohydrate-to-protein ratio and pollination strategy has been detected. Infrared spectral database with respect to biochemical variation among the range of species, climate and biogeography will significantly improve comprehension of plant-environment interactions, including impact of global climate change on plant communities. PMID:24748390

Differentiation of tissue and kidney stones for laser lithotripsy using different spectroscopic approaches

NASA Astrophysics Data System (ADS)

Lange, Birgit; Cordes, Jens; Brinkmann, Ralf

2015-07-01

Holmium lasers are nowadays the gold standard for endoscopic laser lithotripsy. However, there is a risk of damaging or perforating the ureter or kidney tissue when the vision is poor. An automatic tissue/stone differentiation would improve the handling and safety of the procedure. To achieve this objective, an easy and robust real-time discrimination method has to be found which can be used to realize a feedback loop to control the laser system. Two possible approaches have been evaluated: White light reflectance and fluorescence spectroscopy. In both cases, we use the treatment fiber for detection and evaluate the possibility to decide whether the fiber is placed in front of tissue or calculus by the signal that is delivered by the surface in front of it. White light reflectance spectroscopy uses the standard light source for endourologic surgeries: Radiation of a Xenon light source is coupled to the ureteroscope via a liquid light guide. The part of the white light that is reflected back into the fiber is spectroscopically analyzed. In a clinical proof of concept study reflection signals were measured in vivo in 8 patients. For differentiation of stone and tissue via autofluorescence, excitation as well as detection was done via the treatment fiber. A suitable excitation wavelength was chosen with in vitro measurements (UV / visible) on several human renal calculi and porcine tissues. For verification of the positive results with green excitation in a clinical proof of concept study, a measurement set-up was realized which allows the recording of fluorescence signals during an endourological intervention.

The limit of detection for explosives in spectroscopic differential reflectometry

NASA Astrophysics Data System (ADS)

Dubroca, Thierry; Vishwanathan, Karthik; Hummel, Rolf E.

2011-05-01

In the wake of recent terrorist attacks, such as the 2008 Mumbai hotel explosion or the December 25th 2009 "underwear bomber", our group has developed a technique (US patent #7368292) to apply differential reflection spectroscopy to detect traces of explosives. Briefly, light (200-500 nm) is shone on a surface such as a piece of luggage at an airport. Upon reflection, the light is collected with a spectrometer combined with a CCD camera. A computer processes the data and produces in turn a differential reflection spectrum involving two adjacent areas of the surface. This differential technique is highly sensitive and provides spectroscopic data of explosives. As an example, 2,4,6, trinitrotoluene (TNT) displays strong and distinct features in differential reflectograms near 420 nm. Similar, but distinctly different features are observed for other explosives. One of the most important criteria for explosive detection techniques is the limit of detection. This limit is defined as the amount of explosive material necessary to produce a signal to noise ratio of three. We present here, a method to evaluate the limit of detection of our technique. Finally, we present our sample preparation method and experimental set-up specifically developed to measure the limit of detection for our technology. This results in a limit ranging from 100 nano-grams to 50 micro-grams depending on the method and the set-up parameters used, such as the detector-sample distance.

The Charge State of Polycyclic Aromatic Hydrocarbons across a Reflection Nebula, an H II Region, and a Planetary Nebula

NASA Astrophysics Data System (ADS)

Boersma, C.; Bregman, J.; Allamandola, L. J.

2018-05-01

Low-resolution Spitzer-IRS spectral map data of a reflection nebula (NGC 7023), H II region (M17), and planetary nebula (NGC 40), totaling 1417 spectra, are analyzed using the data and tools available through the NASA Ames PAH IR Spectroscopic Database. The polycyclic aromatic hydrocarbon (PAH) emission is broken down into PAH charge and size subclass contributions using a database-fitting approach. The resulting charge breakdown results are combined with those derived using the traditional PAH band strength ratio approach, which interprets particular PAH band strength ratios as proxies for PAH charge. Here the 6.2/11.2 μm PAH band strength ratio is successfully calibrated against its database equivalent: the {n}PAH}+}/{n}PAH}0} ratio. In turn, this ratio is converted into the PAH ionization parameter, which relates it to the strength of the radiation field, gas temperature, and electron density. Population diagrams are used to derive the {{{H}}}2 density and temperature. The bifurcated plot of the 8.6 versus 11.2 μm PAH band strength for the northwest photo dissociation region in NGC 7023 is shown to be a robust diagnostic template for the {n}PAH}+}/{n}PAH}0} ratio in all three objects. Template spectra for the PAH charge and size subclasses are determined for each object and shown to favorably compare. Using the determined template spectra from NGC 7023 to fit the emission in all three objects yields, upon inspection of the Structure SIMilarity maps, satisfactory results. The choice of extinction curve proves to be critical. Concluding, the distinctly different astronomical environments of a reflection nebula, H II region, and planetary nebula are reflected in their PAH emission spectra.

NASA Planetary Astronomy Lunar Atmospheric Imaging Study

NASA Technical Reports Server (NTRS)

Stern, S. Alan

1996-01-01

Authors have conducted a program of research focused on studies of the lunar atmosphere. Also present preliminary results of an ongoing effort to determine the degree that metal abundances in the lunar atmosphere are stoichiometric, that is, reflective of the lunar surface composition. We make the first-ever mid-ultraviolet spectroscopic search for emission from the lunar atmosphere.

Characterization of lipid-rich plaques using spectroscopic optical coherence tomography

NASA Astrophysics Data System (ADS)

Nam, Hyeong Soo; Song, Joon Woo; Jang, Sun-Joo; Lee, Jae Joong; Oh, Wang-Yuhl; Kim, Jin Won; Yoo, Hongki

2016-07-01

Intravascular optical coherence tomography (IV-OCT) is a high-resolution imaging method used to visualize the internal structures of walls of coronary arteries in vivo. However, accurate characterization of atherosclerotic plaques with gray-scale IV-OCT images is often limited by various intrinsic artifacts. In this study, we present an algorithm for characterizing lipid-rich plaques with a spectroscopic OCT technique based on a Gaussian center of mass (GCOM) metric. The GCOM metric, which reflects the absorbance properties of lipids, was validated using a lipid phantom. In addition, the proposed characterization method was successfully demonstrated in vivo using an atherosclerotic rabbit model and was found to have a sensitivity and specificity of 94.3% and 76.7% for lipid classification, respectively.

Modeling Microalgal Biosediment Formation Based on Attenuated Total Reflection Fourier Transform Infrared (ATR FT-IR) Monitoring.

PubMed

Ogburn, Zachary L; Vogt, Frank

2018-03-01

With increasing amounts of anthropogenic pollutants being released into ecosystems, it becomes ever more important to understand their fate and interactions with living organisms. Microalgae play an important ecological role as they are ubiquitous in marine environments and sequester inorganic pollutants which they transform into organic biomass. Of particular interest in this study is their role as a sink for atmospheric CO 2 , a greenhouse gas, and nitrate, one cause of harmful algal blooms. Novel chemometric hard-modeling methodologies have been developed for interpreting phytoplankton's chemical and physiological adaptations to changes in their growing environment. These methodologies will facilitate investigations of environmental impacts of anthropogenic pollutants on chemical and physiological properties of marine microalgae (here: Nannochloropsis oculata). It has been demonstrated that attenuated total reflection Fourier transform infrared (ATR FT-IR) spectroscopy can gain insights into both and this study only focuses on the latter. From time-series of spectra, the rate of microalgal biomass settling on top of a horizontal ATR element is derived which reflects several of phytoplankton's physiological parameters such as growth rate, cell concentrations, cell size, and buoyancy. In order to assess environmental impacts on such parameters, microalgae cultures were grown under 25 different chemical scenarios covering 200-600 ppm atmospheric CO 2 and 0.35-0.75 mM dissolved NO 3 - . After recording time-series of ATR FT-IR spectra, a multivariate curve resolution-alternating least squares (MCR-ALS) algorithm extracted spectroscopic and time profiles from each data set. From the time profiles, it was found that in the considered concentration ranges only NO 3 - has an impact on the cells' physiological properties. In particular, the cultures' growth rate has been influenced by the ambient chemical conditions. Thus, the presented spectroscopic + chemometric methodology enables investigating the link between chemical conditions in a marine ecosystem and their consequences for phytoplankton living in it.

Optical Evaluation of DMDs with UV-Grade FS, Sapphire, MgF2 Windows and Reflectance of Bare Devices

NASA Technical Reports Server (NTRS)

Quijada, Manuel A.; Heap, Sara; Travinsky, Anton; Vorobiev, Dmitry; Ninkov, Zoran; Raisanen, Alan; Roberto, Massimo

2016-01-01

Digital Micro-mirror Devices (DMDs) have been identified as an alternative to microshutter arrays for space-based multi-object spectrometers (MOS). Specifically, the MOS at the heart of a proposed Galactic Evolution Spectroscopic Explorer (GESE) that uses the DMD as a reprogrammable slit mask. Unfortunately, the protective borosilicate windows limit the use of DMDs in the UV and IR regimes, where the glass has insufficient throughput. In this work, we present our efforts to replace standard DMD windows with custom windows made from UV-grade fused silica, Low Absorption Optical Sapphire (LAOS) and magnesium fluoride. We present reflectance measurements of the antireflection coated windows and a reflectance study of the DMDs active area (window removed). Furthermore, we investigated the long-term stability of the DMD reflectance and recoating device with fresh Al coatings.

HIFLUGCS: X-ray luminosity-dynamical mass relation and its implications for mass calibrations with the SPIDERS and 4MOST surveys

NASA Astrophysics Data System (ADS)

Zhang, Yu-Ying; Reiprich, Thomas H.; Schneider, Peter; Clerc, Nicolas; Merloni, Andrea; Schwope, Axel; Borm, Katharina; Andernach, Heinz; Caretta, César A.; Wu, Xiang-Ping

2017-03-01

We present the relation of X-ray luminosity versus dynamical mass for 63 nearby clusters of galaxies in a flux-limited sample, the HIghest X-ray FLUx Galaxy Cluster Sample (HIFLUGCS, consisting of 64 clusters). The luminosity measurements are obtained based on 1.3 Ms of clean XMM-Newton data and ROSAT pointed observations. The masses are estimated using optical spectroscopic redshifts of 13647 cluster galaxies in total. We classify clusters into disturbed and undisturbed based on a combination of the X-ray luminosity concentration and the offset between the brightest cluster galaxy and X-ray flux-weighted center. Given sufficient numbers (I.e., ≥45) of member galaxies when the dynamical masses are computed, the luminosity versus mass relations agree between the disturbed and undisturbed clusters. The cool-core clusters still dominate the scatter in the luminosity versus mass relation even when a core-corrected X-ray luminosity is used, which indicates that the scatter of this scaling relation mainly reflects the structure formation history of the clusters. As shown by the clusters with only few spectroscopically confirmed members, the dynamical masses can be underestimated and thus lead to a biased scaling relation. To investigate the potential of spectroscopic surveys to follow up high-redshift galaxy clusters or groups observed in X-ray surveys for the identifications and mass calibrations, we carried out Monte Carlo resampling of the cluster galaxy redshifts and calibrated the uncertainties of the redshift and dynamical mass estimates when only reduced numbers of galaxy redshifts per cluster are available. The resampling considers the SPIDERS and 4MOST configurations, designed for the follow-up of the eROSITA clusters, and was carried out for each cluster in the sample at the actual cluster redshift as well as at the assigned input cluster redshifts of 0.2, 0.4, 0.6, and 0.8. To follow up very distant clusters or groups, we also carried out the mass calibration based on the resampling with only ten redshifts per cluster, and redshift calibration based on the resampling with only five and ten redshifts per cluster, respectively. Our results demonstrate the power of combining upcoming X-ray and optical spectroscopic surveys for mass calibration of clusters. The scatter in the dynamical mass estimates for the clusters with at least ten members is within 50%.

New polarimetric and spectroscopic evidence of anomalous enrichment in spinel-bearing calcium-aluminium-rich inclusions among L-type asteroids

NASA Astrophysics Data System (ADS)

Devogèle, M.; Tanga, P.; Cellino, A.; Bendjoya, Ph.; Rivet, J.-P.; Surdej, J.; Vernet, D.; Sunshine, J. M.; Bus, S. J.; Abe, L.; Bagnulo, S.; Borisov, G.; Campins, H.; Carry, B.; Licandro, J.; McLean, W.; Pinilla-Alonso, N.

2018-04-01

Asteroids can be classified into several groups based on their spectral reflectance. Among these groups, the one belonging to the L-class in the taxonomic classification based on visible and near-infrared spectra exhibit several peculiar properties. First, their near-infrared spectrum is characterized by a strong absorption band interpreted as the diagnostic of a high content of the FeO bearing spinel mineral. This mineral is one of the main constituents of Calcium-Aluminum-rich Inclusions (CAI) the oldest mineral compounds found in the solar system. In polarimetry, they possess an uncommonly large value of the inversion angle incompatible with all known asteroid belonging to other taxonomical classes. Asteroids found to possess such a high inversion angle are commonly called Barbarians based on the first asteroid on which this property was first identified, (234) Barbara. In this paper we present the results of an extensive campaign of polarimetric and spectroscopic observations of L-class objects. We have derived phase-polarization curves for a sample of 7 Barbarians, finding a variety of inversion angles ranging between 25 and 30°. Spectral reflectance data exhibit variations in terms of spectral slope and absorption features in the near-infrared. We analyzed these data using a Hapke model to obtain some inferences about the relative abundance of CAI and other mineral compounds. By combining spectroscopic and polarimetric results, we find evidence that the polarimetric inversion angle is directly correlated with the presence of CAI, and the peculiar polarimetric properties of Barbarians are primarily a consequence of their anomalous composition.

Spectroscopic and Density Functional Theory Studies of the Blue–Copper Site in M121SeM and C112SeC Azurin: Cu–Se Versus Cu–S Bonding

PubMed Central

Sarangi, Ritimukta; Gorelsky, Serge I.; Basumallick, Lipika; Hwang, Hee Jung; Pratt, Russell C.; Stack, T. Daniel P.; Lu, Yi; Hodgson, Keith O.; Hedman, Britt; Solomon, Edward I.

2009-01-01

S K-edge X-ray absorption, UV–vis absorption, magnetic circular dichroism (MCD), and resonance Raman spectroscopies are used to investigate the electronic structure differences among WT, M121SeM, and C112SeC Pseudomonas aeruginosa (P.a) azurin. A comparison of S K-edge XAS of WT and M121SeM azurin and a CuII–thioether model complex shows that the 38% S character in the ground state wave function of the blue–copper (BC) sites solely reflects the Cu–SCys bond. Resonance Raman (rR) data on WT and C112SeC azurin give direct evidence for the kinematic coupling between the Cu–SCys stretch and the cysteine deformation modes in WT azurin, which leads to multiple features in the rR spectrum of the BC site. The UV–vis absorption and MCD data on WT, M121SeM, and C112SeC give very similar C0/D0 ratios, indicating that the C-term MCD intensity mechanism involves Cu-centered spin–orbit coupling (SOC). The spectroscopic data combined with density functional theory (DFT) calculations indicate that SCys and SeCys have similar covalent interactions with Cu at their respective bond lengths of 2.1 and 2.3 Å. This reflects the similar electronegativites of S and Se in the thiolate/selenolate ligand fragment and explains the strong spectroscopic similarities between WT and C112SeC azurin. PMID:18314977

VizieR Online Data Catalog: VIMOS Public Extragalactic Survey (VIPERS) DR1 (Garilli+, 2014)

NASA Astrophysics Data System (ADS)

Garilli, B.; Guzzo, L.; Scodeggio, M.; Bolzonella, M.; Abbas, U.; Adami, C.; Arnouts, S.; Bel, J.; Bottini, D.; Branchini, E.; Cappi, A.; Coupon, J.; Cucciati, O.; Davidzon, I.; de Lucia, G.; de la Torre, S.; Franzetti, P.; Fritz, A.; Fumana, M.; Granett, B. R.; Ilbert, O.; Iovino, A.; Krywult, J.; Le Brun, V.; Le Fevre, O.; Maccagni, D.; Malek, K.; Marulli, F.; McCracken, H. J.; Paioro, L.; Polletta, M.; Pollo, A.; Schlagenhaufer, H.; Tasca, L. A. M.; Tojeiro, R.; Vergani, D.; Zamorani, G.; Zanichelli, A.; Burden, A.; di Porto, C.; Marchetti, A.; Marinoni, C.; Mellier, Y.; Moscardini, L.; Nichol, R. C.; Peacock, J. A.; Percival, W. J.; Phleps, S.; Wolk, M.

2014-09-01

We present the first Public Data Release (PDR-1) of the VIMOS Public Extragalactic Survey (VIPERS). It comprises 57204 spectroscopic measurements together with all additional information necessary for optimal scientific exploitation of the data, in particular the associated photometric measurements and quantification of the photometric and survey completeness. VIPERS is an ESO Large Programme designed to build a spectroscopic sample of =~100000 galaxies with iAB<22.5 and 0.5

The Grism Lens-amplified Survey from Space (GLASS). IV. Mass Reconstruction of the Lensing Cluster Abell 2744 from Frontier Field Imaging and GLASS Spectroscopy

NASA Astrophysics Data System (ADS)

Wang, X.; Hoag, A.; Huang, K.-H.; Treu, T.; Bradač, M.; Schmidt, K. B.; Brammer, G. B.; Vulcani, B.; Jones, T. A.; Ryan, R. E., Jr.; Amorín, R.; Castellano, M.; Fontana, A.; Merlin, E.; Trenti, M.

2015-09-01

We present a strong and weak lensing reconstruction of the massive cluster Abell 2744, the first cluster for which deep Hubble Frontier Fields (HFF) images and spectroscopy from the Grism Lens-Amplified Survey from Space (GLASS) are available. By performing a targeted search for emission lines in multiply imaged sources using the GLASS spectra, we obtain five high-confidence spectroscopic redshifts and two tentative ones. We confirm one strongly lensed system by detecting the same emission lines in all three multiple images. We also search for additional line emitters blindly and use the full GLASS spectroscopic catalog to test reliability of photometric redshifts for faint line emitters. We see a reasonable agreement between our photometric and spectroscopic redshift measurements, when including nebular emission in photometric redshift estimations. We introduce a stringent procedure to identify only secure multiple image sets based on colors, morphology, and spectroscopy. By combining 7 multiple image systems with secure spectroscopic redshifts (at 5 distinct redshift planes) with 18 multiple image systems with secure photometric redshifts, we reconstruct the gravitational potential of the cluster pixellated on an adaptive grid, using a total of 72 images. The resulting mass map is compared with a stellar mass map obtained from the deep Spitzer Frontier Fields data to study the relative distribution of stars and dark matter in the cluster. We find that the stellar to total mass ratio varies substantially across the cluster field, suggesting that stars do not trace exactly the total mass in this interacting system. The maps of convergence, shear, and magnification are made available in the standard HFF format.

Accelerated echo planar J-resolved spectroscopic imaging in prostate cancer: a pilot validation of non-linear reconstruction using total variation and maximum entropy.

PubMed

Nagarajan, Rajakumar; Iqbal, Zohaib; Burns, Brian; Wilson, Neil E; Sarma, Manoj K; Margolis, Daniel A; Reiter, Robert E; Raman, Steven S; Thomas, M Albert

2015-11-01

The overlap of metabolites is a major limitation in one-dimensional (1D) spectral-based single-voxel MRS and multivoxel-based MRSI. By combining echo planar spectroscopic imaging (EPSI) with a two-dimensional (2D) J-resolved spectroscopic (JPRESS) sequence, 2D spectra can be recorded in multiple locations in a single slice of prostate using four-dimensional (4D) echo planar J-resolved spectroscopic imaging (EP-JRESI). The goal of the present work was to validate two different non-linear reconstruction methods independently using compressed sensing-based 4D EP-JRESI in prostate cancer (PCa): maximum entropy (MaxEnt) and total variation (TV). Twenty-two patients with PCa with a mean age of 63.8 years (range, 46-79 years) were investigated in this study. A 4D non-uniformly undersampled (NUS) EP-JRESI sequence was implemented on a Siemens 3-T MRI scanner. The NUS data were reconstructed using two non-linear reconstruction methods, namely MaxEnt and TV. Using both TV and MaxEnt reconstruction methods, the following observations were made in cancerous compared with non-cancerous locations: (i) higher mean (choline + creatine)/citrate metabolite ratios; (ii) increased levels of (choline + creatine)/spermine and (choline + creatine)/myo-inositol; and (iii) decreased levels of (choline + creatine)/(glutamine + glutamate). We have shown that it is possible to accelerate the 4D EP-JRESI sequence by four times and that the data can be reliably reconstructed using the TV and MaxEnt methods. The total acquisition duration was less than 13 min and we were able to detect and quantify several metabolites. Copyright © 2015 John Wiley & Sons, Ltd.

THE GRISM LENS-AMPLIFIED SURVEY FROM SPACE (GLASS). IV. MASS RECONSTRUCTION OF THE LENSING CLUSTER ABELL 2744 FROM FRONTIER FIELD IMAGING AND GLASS SPECTROSCOPY

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

Wang, X.; Schmidt, K. B.; Jones, T. A.

2015-09-20

We present a strong and weak lensing reconstruction of the massive cluster Abell 2744, the first cluster for which deep Hubble Frontier Fields (HFF) images and spectroscopy from the Grism Lens-Amplified Survey from Space (GLASS) are available. By performing a targeted search for emission lines in multiply imaged sources using the GLASS spectra, we obtain five high-confidence spectroscopic redshifts and two tentative ones. We confirm one strongly lensed system by detecting the same emission lines in all three multiple images. We also search for additional line emitters blindly and use the full GLASS spectroscopic catalog to test reliability of photometricmore » redshifts for faint line emitters. We see a reasonable agreement between our photometric and spectroscopic redshift measurements, when including nebular emission in photometric redshift estimations. We introduce a stringent procedure to identify only secure multiple image sets based on colors, morphology, and spectroscopy. By combining 7 multiple image systems with secure spectroscopic redshifts (at 5 distinct redshift planes) with 18 multiple image systems with secure photometric redshifts, we reconstruct the gravitational potential of the cluster pixellated on an adaptive grid, using a total of 72 images. The resulting mass map is compared with a stellar mass map obtained from the deep Spitzer Frontier Fields data to study the relative distribution of stars and dark matter in the cluster. We find that the stellar to total mass ratio varies substantially across the cluster field, suggesting that stars do not trace exactly the total mass in this interacting system. The maps of convergence, shear, and magnification are made available in the standard HFF format.« less

Diagnostics of breast cancer by analysis of spectra diffuse reflections

NASA Astrophysics Data System (ADS)

Kuzmina, Natalya V.; Plaksin, Fedor G.; Polovnikov, Eugeny S.

2001-05-01

The work is dedicated to problems of diagnostic oncologic diseases by a spectroscopic-optical method and is prolongation of long-term examinations held earlier by Vovk S.M, Naumov S.A. and Pushkarev S.V. The actual spectra of a diffuse reflection removed in vivo and in vitro are given, is angry- and good-quality neoplasms, healthy tissue and blood of breast and other organs. Problems of a clinical oncology are in a center of attention in medicine because the cases of disease malignant swellings increase, which is stipulated by an irregularity of present methods of diagnostic.

Towards a neurochemical profile of the amygdala using short-TE 1 H magnetic resonance spectroscopy at 3 T.

PubMed

Schubert, Florian; Kühn, Simone; Gallinat, Jürgen; Mekle, Ralf; Ittermann, Bernd

2017-05-01

The amygdala plays a key role in emotional learning and in the processing of emotions. As disturbed amygdala function has been linked to several psychiatric conditions, a knowledge of its biochemistry, especially neurotransmitter levels, is highly desirable. The spin echo full intensity acquired localized (SPECIAL) sequence, together with a transmit/receive coil, was used to perform very short-TE magnetic resonance spectroscopy at 3 T to determine the neurochemical profile in a spectroscopic voxel containing the amygdala in 21 healthy adult subjects. For spectral analysis, advanced data processing was applied in combination with a macromolecule baseline measured in the anterior cingulate for spectral fitting. The concentrations of total N-acetylaspartate, total creatine, total choline, myo-inositol and, for the first time, glutamate were quantified with high reliability (uncertainties far below 10%). For these metabolites, the inter-individual variability, reflected by the relative standard deviations for the cohort studied, varied between 12% (glutamate) and 22% (myo-inositol). Glutamine and glutathione could also be determined, albeit with lower precision. Retest on four subjects showed good reproducibility. The devised method allows the determination of metabolite concentrations in the amygdala voxel, including glutamate, provides an estimation of glutamine and glutathione, and may help in the study of disturbed amygdala metabolism in pathologies such as anxiety disorder, autism and major depression. Copyright © 2017 John Wiley & Sons, Ltd.

Effects of working pressure and annealing on bulk density and nanopore structures in amorphous In-Ga-Zn-O thin-film transistors

NASA Astrophysics Data System (ADS)

Ide, Keisuke; Kikuchi, Mitsuho; Ota, Masato; Sasase, Masato; Hiramatsu, Hidenori; Kumomi, Hideya; Hosono, Hideo; Kamiya, Toshio

2017-03-01

Microstructures of amorphous In-Ga-Zn-O (a-IGZO) thin films of different densities were analyzed. Device-quality a-IGZO films were deposited under optimum conditions, e.g., the total pressure P tot = 0.55 Pa produced high film densities of ˜6.1 g/cm3, while a very high P tot = 5.0 Pa produced low film densities of 5.5 g/cm3. Both films formed uniform high-density layers in the vicinity of the glass substrate, 10-20 nm in thickness depending on P tot, while their growth mode changed to a sparse columnar structure in thicker regions. X-ray reflectivity and in situ spectroscopic ellipsometry provided different results on densification by post deposition thermal annealing; i.e., the latter has a higher sensitivity. High-Z-contrast images obtained by high-angle annular dark-field scanning transmission electron microscopy were also useful for detecting nanometer-size non uniformity even in device-quality a-IGZO films.

Characterization of lignin during oxidative and hydrothermal pre-treatment processes of wheat straw and corn stover.

PubMed

Kaparaju, Prasad; Felby, Claus

2010-05-01

The objective of the study was to characterize and map changes in lignin during hydrothermal and wet explosion pre-treatments of wheat straw and corn stover. Chemical composition, microscopic (atomic force microscopy and scanning electron microscopy) and spectroscopic (attenuated total reflectance Fourier transform infrared spectroscopy, ATR-FTIR) analyses were performed. Results showed that both pre-treatments improved the cellulose and lignin content with substantial removal of hemicellulose in the pre-treated biomasses. These values were slightly higher for hydrothermal compared to wet explosion pre-treatment. ATR-FTIR analyses also confirmed these results. Microscopic analysis showed that pre-treatments affected the biomass by partial difibration. Lignin deposition on the surface of the hydrothermally pre-treated fibre was very distinct while severe loss of fibril integrity was noticed with wet exploded fibre. The present study thus revealed that the lignin cannot be removed by the studied pre-treatments. However, both pre-treatments improved the accessibility of the biomass towards enzymatic hydrolysis. Copyright 2009 Elsevier Ltd. All rights reserved.

Investigation on the adsorption characteristics of sodium benzoate and taurine on gold nanoparticle film by ATR-FTIR spectroscopy.

PubMed

Kumar, Naveen; Thomas, S; Tokas, R B; Kshirsagar, R J

2014-01-24

Fourier transform infrared (FTIR) spectroscopic studies of sodium benzoate and taurine adsorbed on gold nanoparticle (AuNp) film on silanised glass slides have been studied by attenuated total reflection technique (ATR). The surface morphology of the AuNp films has been measured by Atomic Force Microscopy. The ATR spectra of sodium benzoate and taurine deposited on AuNp film are compared with ATR spectra of their powdered bulk samples. A new red-shifted band appeared along with the symmetric and asymmetric stretches of carboxylate group of sodium benzoate leading to a broadening of the above peaks. Similar behavior is also seen in the case of symmetric and asymmetric stretches of sulphonate group of taurine. The results indicate presence of both chemisorbed and physisorbed layers of both sodium benzoate and taurine on the AuNp film with bottom layer chemically bound to AuNp through carboxylate and sulphonate groups respectively. Copyright © 2013 Elsevier B.V. All rights reserved.

A surface-enhanced infrared absorption spectroscopic study of pH dependent water adsorption on Au

NASA Astrophysics Data System (ADS)

Dunwell, Marco; Yan, Yushan; Xu, Bingjun

2016-08-01

The potential dependent behavior of near-surface water on Au film electrodes in acidic and alkaline solutions is studied using a combination of attenuated total reflectance surface enhanced infrared spectroscopy and chronoamperometry. In acid, sharp νOH peaks appear at 3583 cm- 1 at high potentials attributed to non-H-bonded water coadsorbed in the hydration sphere of perchlorate near the electrode surface. Adsorbed hydronium bending mode at near 1680 cm- 1 is observed at low potentials in low pH solutions (1.4, 4.0, 6.8). At high pH (10.0, 12.3), a potential-dependent OH stretching band assigned to adsorbed hydroxide emerges from 3400-3506 cm- 1. The observation of adsorbed hydroxide, even on a weakly oxophilic metal such as Au, provides the framework for further studies of hydroxide adsorption on other electrodes to determine the role of adsorbed hydroxide on important reactions such as the hydrogen oxidation reaction.

Enhanced biocompatibility and antibacterial property of polyurethane materials modified with citric acid and chitosan.

PubMed

Liu, Tian-Ming; Wu, Xing-Ze; Qiu, Yun-Ren

2016-08-01

Citric acid (CA) and chitosan (CS) were covalently immobilized on polyurethane (PU) materials to improve the biocompatibility and antibacterial property. The polyurethane pre-polymer with isocyanate group was synthesized by one pot method, and then grafted with citric acid, followed by blending with polyethersulfone (PES) to prepare the blend membrane by phase-inversion method so that chitosan can be grafted from the membrane via esterification and acylation reactions eventually. The native and modified membranes were characterized by attenuated total reflectance-Fourier transform infrared spectroscope, X-ray photoelectron spectroscopy, scanning electron microscopy, water contact angle measurement, and tensile strength test. Protein adsorption, platelet adhesion, hemolysis assay, activated partial thromboplastin time, prothrombin time, thrombin time, and adsorption of Ca(2+) were executed to evaluate the blood compatibility of the membranes decorated by CA and CS. Particularly, the antibacterial activities on the modified membranes were evaluated based on a vitro antibacterial test. It could be concluded that the modified membrane had good anticoagulant property and antibacterial property.

Discovery of Cellulose Surface Layer Conformation by Nonlinear Vibrational Spectroscopy

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

Zhang, Libing; Fu, Li; Wang, Hong-fei

2017-03-14

Significant questions remain with respect to the structure and polymorphs of cellulose. These include the cellulose surface layers and the bulk crystalline core as well as the conformational differences. The Total Internal Reflection Sum Frequency Generation Vibrational Spectroscopy (TIR-SFG-VS) combined with the conventional SFG-VS (non-TIR) can help to resolve these questions by selectively characterizing the molecular structures of surface layers and the crystalline core of cellulose. From the SFG spectra in the C-H and O-H regions, we found that the surface layers of Avicel are essentially amorphous; while the surface layers of Iβ cellulose are crystalline but with different structuralmore » and spectroscopic signatures than that of its crystalline core. This work demonstrates the capacity of TIR and Non-TIR SFG-VS tools in selectively studying the structures and polymorphs of cellulose. In addition, these results also suggest that the assignments of major vibrational peaks for cellulose need to be further determined.« less

In Situ Molecular Spectroscopic Evidence for CO2 Intercalation into Montmorillonite in Supercritical Carbon Dioxide

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

Loring, John S.; Schaef, Herbert T.; Turcu, Romulus VF

2012-04-25

The interaction of anhydrous supercritical CO2 (scCO2) with both kaolinite and ~1W (i.e. close to but less than one layer of hydration) calcium-saturated montmorillonite was investigated under conditions relevant to geologic carbon sequestration (50 °C and 90 bar). The CO2 molecular environment was probed in situ using a combination of three novel high-pressure techniques: X-ray diffraction, magic angle spinning nuclear magnetic resonance spectroscopy and attenuated total reflection infrared spectroscopy. We report the first direct evidence that the expansion of montmorillonite under scCO2 conditions is due to CO2 migration into the interlayer. Intercalated CO2 molecules are rotationally constrained and do notmore » appear to react with waters to form bicarbonate or carbonic acid. In contrast, CO2 does not intercalate into kaolinite. The findings show that predicting the seal integrity of caprock will have complex dependence on clay mineralogy and hydration state.« less

Silicon oxynitride films deposited by reactive high power impulse magnetron sputtering using nitrous oxide as a single-source precursor

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

Hänninen, Tuomas, E-mail: tuoha@ifm.liu.se; Schmidt, Susann; Jensen, Jens

2015-09-15

Silicon oxynitride thin films were synthesized by reactive high power impulse magnetron sputtering of silicon in argon/nitrous oxide plasmas. Nitrous oxide was employed as a single-source precursor supplying oxygen and nitrogen for the film growth. The films were characterized by elastic recoil detection analysis, x-ray photoelectron spectroscopy, x-ray diffraction, x-ray reflectivity, scanning electron microscopy, and spectroscopic ellipsometry. Results show that the films are silicon rich, amorphous, and exhibit a random chemical bonding structure. The optical properties with the refractive index and the extinction coefficient correlate with the film elemental composition, showing decreasing values with increasing film oxygen and nitrogen content.more » The total percentage of oxygen and nitrogen in the films is controlled by adjusting the gas flow ratio in the deposition processes. Furthermore, it is shown that the film oxygen-to-nitrogen ratio can be tailored by the high power impulse magnetron sputtering-specific parameters pulse frequency and energy per pulse.« less

Thermally induced anchoring of fullerene in copolymers with Si-bridging atom: Spectroscopic evidences

NASA Astrophysics Data System (ADS)

Marchiori, Cleber F. N.; Garcia-Basabe, Yunier; de A. Ribeiro, Fabio; Koehler, Marlus; Roman, Lucimara S.; Rocco, Maria Luiza M.

2017-01-01

We use X-ray photoelectron spectroscopy (XPS), Near-edge X-ray absorption fine structure (NEXAFS), resonant Auger spectroscopy (RAS), Attenuation Total Reflection Infrared (ATR-IR) and Atomic Force Microscopy (AFM) to study the blend between the copolymer poly[2,7-(9,9-bis(2-ethylhexyl)-dibenzosilole)-alt-4,7-bis(thiophen-2-yl)benzo-2,1,3-thiadiazole] (PSiF-DBT) and the fullerene derivative PC71BM submitted to different annealing temperatures. Those measurements indicate that there is an incidental anchoring of a fullerene derivative to the Si-bridging atoms of a copolymer induced by thermal annealing of the film. Insights about the physical properties of one possible PSiF-DBT/PC71BM anchored structure are obtained using Density Functional Theory calculations. Since the performance of organic photovoltaic based on polymer-fullerene blends depends on the chemical structure of the blend components, the anchoring effect might affect the photovoltaic properties of those devices.

Time-Dependent ATR-FTIR Spectroscopic Studies on Fatty Acid Diffusion and the Formation of Metal Soaps in Oil Paint Model Systems.

PubMed

Baij, Lambert; Hermans, Joen J; Keune, Katrien; Iedema, Piet

2018-06-18

The formation of metal soaps (metal complexes of saturated fatty acids) is a serious problem affecting the appearance and structural integrity of many oil paintings. Tailored model systems for aged oil paint and time-dependent attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy were used to study the diffusion of palmitic acid and subsequent metal soap crystallization. The simultaneous presence of free saturated fatty acids and polymer-bound metal carboxylates leads to rapid metal soap crystallization, following a complex mechanism that involves both acid and metal diffusion. Solvent flow, water, and pigments all enhance metal soap crystallization in the model systems. These results contribute to the development of paint cleaning strategies, a better understanding of oil paint degradation, and highlight the potential of time-dependent ATR-FTIR spectroscopy for studying dynamic processes in polymer films. © 2018 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

Application of FTIR-ATR spectroscopy to the quantification of sugar in honey.

PubMed

Anjos, Ofélia; Campos, Maria Graça; Ruiz, Pablo Contreras; Antunes, Paulo

2015-02-15

A Fourier transform infrared spectroscopic method with attenuated total reflectance (FTIR-ATR) and partial least squares (PLS) regression model for the prediction of sugar content in honey samples was calculated. Standards of trehalose, glucose, fructose, sucrose, melezitose, turanose and maltose were used to identify and quantify the individual sugar components in 63 honey samples by HPAEC-IPAD. Fructose and glucose are the highest sugars in honey with an average value of 36% and 26%, respectively. The 1stDer spectra with MSC or SLS in the wave number range from 1500 to 750cm(-1) provide the best calibration model with a r(2) of 86.60 and 86.01 with RPD of 2.6 and 2.55, respectively for fructose and glucose. For turanose and melezitose good models were also found. The FTIR-ATR showed to be a good methodology to quantify the main sugar content in honey and easily adapted to routine analysis. Copyright © 2014 Elsevier Ltd. All rights reserved.

Spectral assessment of new ASTER SWIR surface reflectance data products for spectroscopic mapping of rocks and minerals

USGS Publications Warehouse

Mars, J.C.; Rowan, L.C.

2010-01-01

ASTER reflectance spectra from Cuprite, Nevada, and Mountain Pass, California, were compared to spectra of field samples and to ASTER-resampled AVIRIS reflectance data to determine spectral accuracy and spectroscopic mapping potential of two new ASTER SWIR reflectance datasets: RefL1b and AST_07XT. RefL1b is a new reflectance dataset produced for this study using ASTER Level 1B data, crosstalk correction, radiance correction factors, and concurrently acquired level 2 MODIS water vapor data. The AST_07XT data product, available from EDC and ERSDAC, incorporates crosstalk correction and non-concurrently acquired MODIS water vapor data for atmospheric correction. Spectral accuracy was determined using difference values which were compiled from ASTER band 5/6 and 9/8 ratios of AST_07XT or RefL1b data subtracted from similar ratios calculated for field sample and AVIRIS reflectance data. In addition, Spectral Analyst, a statistical program that utilizes a Spectral Feature Fitting algorithm, was used to quantitatively assess spectral accuracy of AST_07XT and RefL1b data.Spectral Analyst matched more minerals correctly and had higher scores for the RefL1b data than for AST_07XT data. The radiance correction factors used in the RefL1b data corrected a low band 5 reflectance anomaly observed in the AST_07XT and AST_07 data but also produced anomalously high band 5 reflectance in RefL1b spectra with strong band 5 absorption for minerals, such as alunite. Thus, the band 5 anomaly seen in the RefL1b data cannot be corrected using additional gain adjustments. In addition, the use of concurrent MODIS water vapor data in the atmospheric correction of the RefL1b data produced datasets that had lower band 9 reflectance anomalies than the AST_07XT data. Although assessment of spectral data suggests that RefL1b data are more consistent and spectrally more correct than AST_07XT data, the Spectral Analyst results indicate that spectral discrimination between some minerals, such as alunite and kaolinite, are still not possible unless additional spectral calibration using site specific spectral data are performed. ?? 2010.

Spectroscopic detection of the blanch response at the heel of the foot: a possible diagnostic for stage I pressure ulcers

NASA Astrophysics Data System (ADS)

Kohlenberg, Elicia M.; Zanca, Jeanne; Brienza, David M.; Levasseur, Michelle A.; Sowa, Michael G.

2005-09-01

Pressure ulcers (sores) can occur when there is constant pressure being applied to tissue for extended periods of time. Immobile people are particularly prone to this problem. Ideally, pressure damage is detected at an early stage, pressure relief is applied and the pressure ulcer is averted. One of the hallmarks of pressure damaged skin is an obliterated blanch response due to compromised microcirculation near the surface of the skin. Visible reflectance spectroscopy can noninvasively probe the blood circulation of the upper layers of skin by measuring the electronic transitions arising from hemoglobin, the primary oxygen carrying protein in blood. A spectroscopic test was developed on a mixed population of 30 subjects to determine if the blanch response could be detected in healthy skin with high sensitivity and specificity regardless of the pigmentation of the skin. Our results suggest that a spectroscopic based blanch response test can accurately detect the blanching of healthy tissue and has the potential to be developed into a screening test for early stage I pressure ulcers.

CLASH-VLT: INSIGHTS ON THE MASS SUBSTRUCTURES IN THE FRONTIER FIELDS CLUSTER MACS J0416.1–2403 THROUGH ACCURATE STRONG LENS MODELING

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

Grillo, C.; Suyu, S. H.; Umetsu, K.

2015-02-10

We present a detailed mass reconstruction and a novel study on the substructure properties in the core of the Cluster Lensing And Supernova survey with Hubble (CLASH) and Frontier Fields galaxy cluster MACS J0416.1–2403. We show and employ our extensive spectroscopic data set taken with the VIsible Multi-Object Spectrograph instrument as part of our CLASH-VLT program, to confirm spectroscopically 10 strong lensing systems and to select a sample of 175 plausible cluster members to a limiting stellar mass of log (M {sub *}/M {sub ☉}) ≅ 8.6. We reproduce the measured positions of a set of 30 multiple images withmore » a remarkable median offset of only 0.''3 by means of a comprehensive strong lensing model comprised of two cluster dark-matter halos, represented by cored elliptical pseudo-isothermal mass distributions, and the cluster member components, parameterized with dual pseudo-isothermal total mass profiles. The latter have total mass-to-light ratios increasing with the galaxy HST/WFC3 near-IR (F160W) luminosities. The measurement of the total enclosed mass within the Einstein radius is accurate to ∼5%, including the systematic uncertainties estimated from six distinct mass models. We emphasize that the use of multiple-image systems with spectroscopic redshifts and knowledge of cluster membership based on extensive spectroscopic information is key to constructing robust high-resolution mass maps. We also produce magnification maps over the central area that is covered with HST observations. We investigate the galaxy contribution, both in terms of total and stellar mass, to the total mass budget of the cluster. When compared with the outcomes of cosmological N-body simulations, our results point to a lack of massive subhalos in the inner regions of simulated clusters with total masses similar to that of MACS J0416.1–2403. Our findings of the location and shape of the cluster dark-matter halo density profiles and on the cluster substructures provide intriguing tests of the assumed collisionless, cold nature of dark matter and of the role played by baryons in the process of structure formation.« less

Structural and spectroscopic changes to natural nontronite induced by experimental impacts between 10 and 40 GPa

NASA Astrophysics Data System (ADS)

Friedlander, Lonia R.; Glotch, Timothy D.; Bish, David L.; Dyar, M. Darby; Sharp, Thomas G.; Sklute, Elizabeth C.; Michalski, Joseph R.

2015-05-01

Many phyllosilicate deposits remotely detected on Mars occur within bombarded terrains. Shock metamorphism from meteor impacts alters mineral structures, producing changed mineral spectra. Thus, impacts have likely affected the spectra of remotely sensed Martian phyllosilicates. We present spectral analysis results for a natural nontronite sample before and after laboratory-generated impacts over five peak pressures between 10 and 40 GPa. We conducted a suite of spectroscopic analyses to characterize the sample's impact-induced structural and spectral changes. Nontronite becomes increasingly disordered with increasing peak impact pressure. Every infrared spectroscopic technique used showed evidence of structural changes at shock pressures above ~25 GPa. Reflectance spectroscopy in the visible near-infrared region is primarily sensitive to the vibrations of metal-OH and interlayer H2O groups in the nontronite octahedral sheet. Midinfrared (MIR) spectroscopic techniques are sensitive to the vibrations of silicon and oxygen in the nontronite tetrahedral sheet. Because the tetrahedral and octahedral sheets of nontronite deform differently, impact-driven structural deformation may contribute to differences in phyllosilicate detection between remote sensing techniques sensitive to different parts of the nontronite structure. Observed spectroscopic changes also indicated that the sample's octahedral and tetrahedral sheets were structurally deformed but not completely dehydroxylated. This finding is an important distinction from previous studies of thermally altered phyllosilicates in which dehydroxylation follows dehydration in a stepwise progression preceding structural deformation. Impact alteration may thus complicate mineral-specific identifications based on the location of OH-group bands in remotely detected spectra. This is a key implication for Martian remote sensing arising from our results.

A simple protocol for NMR analysis of the enantiomeric purity of chiral hydroxylamines.

PubMed

Tickell, David A; Mahon, Mary F; Bull, Steven D; James, Tony D

2013-02-15

A practically simple three-component chiral derivatization protocol for determining the enantiopurity of chiral hydroxylamines by (1)H NMR spectroscopic analysis is described, involving their treatment with 2-formylphenylboronic acid and enantiopure BINOL to afford a mixture of diastereomeric nitrono-boronate esters whose ratio is an accurate reflection of the enantiopurity of the parent hydroxylamine.

A Protocol for NMR Analysis of the Enantiomeric Excess of Chiral Diols Using an Achiral Diboronic Acid Template.

PubMed

Tickell, David A; Lampard, Emma V; Lowe, John P; James, Tony D; Bull, Steven D

2016-08-05

A practically simple derivatization protocol for determining the enantiopurity of chiral diols by (1)H NMR spectroscopic analysis is described. Diols were treated with 0.5 equiv of 1,3-phenyldiboronic acid to afford mixtures of diastereomeric boronate esters whose homochiral/heterochiral ratios are an accurate reflection of the diol's enantiopurity.

Spectroscopic ellipsometer based on direct measurement of polarization ellipticity.

PubMed

Watkins, Lionel R

2011-06-20

A polarizer-sample-Wollaston prism analyzer ellipsometer is described in which the ellipsometric angles ψ and Δ are determined by direct measurement of the elliptically polarized light reflected from the sample. With the Wollaston prism initially set to transmit p- and s-polarized light, the azimuthal angle P of the polarizer is adjusted until the two beams have equal intensity. This condition yields ψ=±P and ensures that the reflected elliptically polarized light has an azimuthal angle of ±45° and maximum ellipticity. Rotating the Wollaston prism through 45° and adjusting the analyzer azimuth until the two beams again have equal intensity yields the ellipticity that allows Δ to be determined via a simple linear relationship. The errors produced by nonideal components are analyzed. We show that the polarizer dominates these errors but that for most practical purposes, the error in ψ is negligible and the error in Δ may be corrected exactly. A native oxide layer on a silicon substrate was measured at a single wavelength and multiple angles of incidence and spectroscopically at a single angle of incidence. The best fit film thicknesses obtained were in excellent agreement with those determined using a traditional null ellipsometer.

Crystal Structure, Magnetic and Optical Properties of Mn-Doped BiFeO₃ by Hydrothermal Synthesis.

PubMed

Zhang, Ning; Wei, Qinhua; Qin, Laishun; Chen, Da; Chen, Zhi; Niu, Feng; Wang, Jiangying; Huanag, Yuexiang

2017-01-01

In this paper, Mn doped BiFeO₃ were firstly synthesized by hydrothermal process. The influence of Mn doping on structural, optical and magnetic properties of BiFeO₃ was studied. The different amounts of Mn doping in BiFeO₃ were characterized by X-ray diffraction, Scanning Electron Microscope, Energy Dispersive X-ray Spectroscope, UV-Vis diffuse reflectance spectroscopy and magnetic measurements. The X-ray diffraction (XRD) patterns confirmed the formation of pure phase rhombohedral structure in BiFe(1−x) Mn (x) O₃ (x = 0.01, 0.03, 0.05, 0.07) samples. The morphologies and chemical compositions of as-prepared samples could be observed by Scanning Electron Microscope (SEM) and Energy Dispersive X-ray Spectroscope (EDS). A relative large saturated magnetization (Ms) of 0.53 emu/g for x = 0.07 sample was obtained at room temperature, which is considered to be Mn ions doping. UV-Vis diffuse reflectance spectroscopy showed strong absorption of light in the range of 200–1000 nm, indicating the optical band gap in the visible region for these samples. This implied that BiFe(1−x) Mn(x)O₃ may be a potential photocatalyst for utilizing solar energy.

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

Apellániz, J. Maíz; Sota, A.; Alfaro, E. J.

This is the third installment of the Galactic O-Star Spectroscopic Survey (GOSSS), a massive spectroscopic survey of Galactic O stars, based on new homogeneous, high signal-to-noise ratio, R  ∼ 2500 digital observations selected from the Galactic O-Star Catalog. In this paper, we present 142 additional stellar systems with O stars from both hemispheres, bringing the total of O-type systems published within the project to 590. Among the new objects, there are 20 new O stars. We also identify 11 new double-lined spectroscopic binaries, 6 of which are of O+O type and 5 of O+B type, and an additional new tripled-lined spectroscopic binary of O+O+Bmore » type. We also revise some of the previous GOSSS classifications, present some egregious examples of stars erroneously classified as O-type in the past, introduce the use of luminosity class IV at spectral types O4-O5.5, and adapt the classification scheme to the work of Arias et al.« less

Direct measurement of the effective infrared dielectric response of a highly doped semiconductor metamaterial.

PubMed

Al Mohtar, Abeer; Kazan, Michel; Taliercio, Thierry; Cerutti, Laurent; Blaize, Sylvain; Bruyant, Aurélien

2017-03-24

We have investigated the effective dielectric response of a subwavelength grating made of highly doped semiconductors (HDS) excited in reflection, using numerical simulations and spectroscopic measurement. The studied system can exhibit strong localized surface resonances and has, therefore, a great potential for surface-enhanced infrared absorption (SEIRA) spectroscopy application. It consists of a highly doped InAsSb grating deposited on lattice-matched GaSb. The numerical analysis demonstrated that the resonance frequencies can be inferred from the dielectric function of an equivalent homogeneous slab by accounting for the complex reflectivity of the composite layer. Fourier transform infrared reflectivity (FTIR) measurements, analyzed with the Kramers-Kronig conversion technique, were used to deduce the effective response in reflection of the investigated system. From the knowledge of this phenomenological dielectric function, transversal and longitudinal energy-loss functions were extracted and attributed to transverse and longitudinal resonance modes frequencies.

Spectroscopic analyses of Fe and water in clays: A Martian surface weathering study

NASA Technical Reports Server (NTRS)

Bishop, J. L.; Pieters, Carle M.; Edwards, J. O.; Coyne, L. M.; Chang, S.

1991-01-01

Martian surface morphology suggests the presence of liquid H2O on Mars in the past. Reflectance spectra of the Martian surface include features which correspond to the crystal field transitions of iron, as well as features supporting the presence of ice and minerals containing structural OH and surface water. Researchers initiated further spectroscopic studies of surface iron and water and structural OH in clays in order to determine what remotely obtained spectra can indicate about the presence of clays on Mars based on a clearer understanding of the factors influencing the spectral features. Current technology allows researchers to better correlate the low frequency fundamental stretching and bending vibrations of O-H bonds with the diagnostic near infrared overtone and combination bands used in mineral characterization and identification.

Centrifugal ultrafiltration of human serum for improving immunoglobulin A quantification using attenuated total reflectance infrared spectroscopy.

PubMed

Elsohaby, Ibrahim; McClure, J Trenton; Riley, Christopher B; Bryanton, Janet; Bigsby, Kathryn; Shaw, R Anthony

2018-02-20

Attenuated total reflectance infrared (ATR-IR) spectroscopy is a simple, rapid and cost-effective method for the analysis of serum. However, the complex nature of serum remains a limiting factor to the reliability of this method. We investigated the benefits of coupling the centrifugal ultrafiltration with ATR-IR spectroscopy for quantification of human serum IgA concentration. Human serum samples (n = 196) were analyzed for IgA using an immunoturbidimetric assay. ATR-IR spectra were acquired for whole serum samples and for the retentate (residue) reconstituted with saline following 300 kDa centrifugal ultrafiltration. IR-based analytical methods were developed for each of the two spectroscopic datasets, and the accuracy of each of the two methods compared. Analytical methods were based upon partial least squares regression (PLSR) calibration models - one with 5-PLS factors (for whole serum) and the second with 9-PLS factors (for the reconstituted retentate). Comparison of the two sets of IR-based analytical results to reference IgA values revealed improvements in the Pearson correlation coefficient (from 0.66 to 0.76), and the root mean squared error of prediction in IR-based IgA concentrations (from 102 to 79 mg/dL) for the ultrafiltration retentate-based method as compared to the method built upon whole serum spectra. Depleting human serum low molecular weight proteins using a 300 kDa centrifugal filter thus enhances the accuracy IgA quantification by ATR-IR spectroscopy. Further evaluation and optimization of this general approach may ultimately lead to routine analysis of a range of high molecular-weight analytical targets that are otherwise unsuitable for IR-based analysis. Copyright © 2017 Elsevier B.V. All rights reserved.

Synthesis of a Novel Polyethoxysilsesquiazane and Thermal Conversion into Ternary Silicon Oxynitride Ceramics with Enhanced Thermal Stability.

PubMed

Iwase, Yoshiaki; Horie, Yoji; Daiko, Yusuke; Honda, Sawao; Iwamoto, Yuji

2017-12-05

A novel polyethoxysilsesquiazane ([EtOSi(NH) 1.5 ] n , EtOSZ) was synthesized by ammonolysis at -78 °C of ethoxytrichlorosilane (EtOSiCl₃), which was isolated by distillation as a reaction product of SiCl₄ and EtOH. Attenuated total reflection-infra red (ATR-IR), 13 C-, and 29 Si-nuclear magnetic resonance (NMR) spectroscopic analyses of the ammonolysis product resulted in the detection of Si-NH-Si linkage and EtO group. The simultaneous thermogravimetric and mass spectrometry analyses of the EtOSZ under helium revealed cleavage of oxygen-carbon bond of the EtO group to evolve ethylene as a main gaseous species formed in-situ, which lead to the formation at 800 °C of quaternary amorphous Si-C-N with an extremely low carbon content (1.1 wt %) when compared to the theoretical EtOSZ (25.1 wt %). Subsequent heat treatment up to 1400 °C in N₂ lead to the formation of X-ray amorphous ternary Si-O-N. Further heating to 1600 °C in N₂ promoted crystallization and phase partitioning to afford Si₂N₂O nanocrystallites identified by the XRD and TEM analyses. The thermal stability up to 1400 °C of the amorphous state achieved for the ternary Si-O-N was further studied by chemical composition analysis, as well as X-ray photoelectron spectroscopy (XPS) and 29 Si-NMR spectroscopic analyses, and the results were discussed aiming to develop a novel polymeric precursor for ternary amorphous Si-O-N ceramics with an enhanced thermal stability.

Combined ellipsometry and refractometry technique for characterisation of liquid crystal based nanocomposites.

PubMed

Warenghem, Marc; Henninot, Jean François; Blach, Jean François; Buchnev, Oleksandr; Kaczmarek, Malgosia; Stchakovsky, Michel

2012-03-01

Spectroscopic ellipsometry is a technique especially well suited to measure the effective optical properties of a composite material. However, as the sample is optically thick and anisotropic, this technique loses its accuracy for two reasons: anisotropy means that two parameters have to be determined (ordinary and extraordinary indices) and optically thick means a large order of interference. In that case, several dielectric functions can emerge out of the fitting procedure with a similar mean square error and no criterion to discriminate the right solution. In this paper, we develop a methodology to overcome that drawback. It combines ellipsometry with refractometry. The same sample is used in a total internal reflection (TIR) setup and in a spectroscopic ellipsometer. The number of parameters to be determined by the fitting procedure is reduced in analysing two spectra, the correct final solution is found by using the TIR results both as initial values for the parameters and as check for the final dielectric function. A prefitting routine is developed to enter the right initial values in the fitting procedure and so to approach the right solution. As an example, this methodology is used to analyse the optical properties of BaTiO(3) nanoparticles embedded in a nematic liquid crystal. Such a methodology can also be used to analyse experimentally the validity of the mixing laws, since ellipsometry gives the effective dielectric function and thus, can be compared to the dielectric function of the components of the mixture, as it is shown on the example of BaTiO(3)/nematic composite.

Auger spectroscopic examination of MgF2-coated Al mirrors before and after UV irradiation

NASA Technical Reports Server (NTRS)

Heaney, J. B.; Herzig, H.; Osantowski, J. F.

1977-01-01

Magnesium fluoride protected Al films were studied since these mirrors are commonly used in astronomical instruments whenever a highly reflecting optical surface is required in the wavelength region from 1100 A to 2000 A. Freshly prepared samples of evaporated Al + 250-A thick MgF2 on glass were analyzed by Auger electron spectroscopy in conjunction with surface erosion by Ar(+) ion bombardment before and after UV irradiation. The analysis showed that a very thin layer of surface contamination and not bulk photolysis in the MgF2 film was reponsible for the irradiation-induced reflectance loss. Postirradiation polishing with a mild calcium carbonate abrasive can restore a mirror's reflectance by removing the photolyzed surface film without disturbing the MgF2 layer.

Laboratory investigations of Mars - Chemical and spectroscopic characteristics of a suite of clays as Mars soil analogs

NASA Technical Reports Server (NTRS)

Banin, Amos; Carle, Glenn C.; Chang, Sherwood; Coyne, Lelia M.; Orenberg, James B.

1988-01-01

A model system of Mars soil analog materials (MSAMs) was prepared, and the properties of these clays, such as chemical composition, surface-ion composition, water adsorption isotherms, and reflectance spectra, were examined. The results of these studies, performed along with simulations of the Viking Labeled Release Experiement using MSAMs, indicate that surface iron and adsorbed water are important determinants of clay behavior, as evidenced by changes in reflectance, water absorption, and clay surface reactions. The paper discusses the relevance of these results to the two major questions raised by prior explorations of Mars: has there ever been abundant water on Mars, and why is the iron found in the Martian soil not readily seen in the reflectance spectra of the surface?

Development of miniaturized, spectroscopically assisted Penning gauges for fractional helium and hydrogen neutral pressure measurements

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

Flesch, K.; Kremeyer, T.; Schmitz, O.

Direct measurements of the helium (He) fractional neutral pressure in the neutral gas around fusion devices is challenging because of the small mass difference between the abundant D-2 molecules and the He ash which will be produced by deuterium-tritium fusion. In order to study He exhaust, an in situ Penning gauge system is being developed at UW-Madison that is optimized for good pressure and high spectroscopic sensitivity. There are three different anode geometries that we have studied regarding their vacuum electrostatic fields, light output, and ion current. The light output of the two new anode configurations are at least onemore » order of magnitude above the currently available designs, hence improving the spectroscopic sensitivity at similar total neutral pressure resolution.« less

Development of miniaturized, spectroscopically assisted Penning gauges for fractional helium and hydrogen neutral pressure measurements

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

Flesch, K., E-mail: kbflesch@wisc.edu; Kremeyer, T.; Schmitz, O.

Direct measurements of the helium (He) fractional neutral pressure in the neutral gas around fusion devices is challenging because of the small mass difference between the abundant D{sub 2} molecules and the He ash which will be produced by deuterium-tritium fusion. To study He exhaust, an in situ Penning gauge system is being developed at UW-Madison that is optimized for good pressure and high spectroscopic sensitivity. Three different anode geometries have been studied regarding their vacuum electrostatic fields, light output, and ion current. The light output of the two new anode configurations are at least one order of magnitude abovemore » the currently available designs, hence improving the spectroscopic sensitivity at similar total neutral pressure resolution.« less

Development of miniaturized, spectroscopically assisted Penning gauges for fractional helium and hydrogen neutral pressure measurements

DOE PAGES

Flesch, K.; Kremeyer, T.; Schmitz, O.; ...

2016-08-18

Direct measurements of the helium (He) fractional neutral pressure in the neutral gas around fusion devices is challenging because of the small mass difference between the abundant D-2 molecules and the He ash which will be produced by deuterium-tritium fusion. In order to study He exhaust, an in situ Penning gauge system is being developed at UW-Madison that is optimized for good pressure and high spectroscopic sensitivity. There are three different anode geometries that we have studied regarding their vacuum electrostatic fields, light output, and ion current. The light output of the two new anode configurations are at least onemore » order of magnitude above the currently available designs, hence improving the spectroscopic sensitivity at similar total neutral pressure resolution.« less

Spectroscopic remote sensing for material identification, vegetation characterization, and mapping

USGS Publications Warehouse

Kokaly, Raymond F.; Lewis, Paul E.; Shen, Sylvia S.

2012-01-01

Identifying materials by measuring and analyzing their reflectance spectra has been an important procedure in analytical chemistry for decades. Airborne and space-based imaging spectrometers allow materials to be mapped across the landscape. With many existing airborne sensors and new satellite-borne sensors planned for the future, robust methods are needed to fully exploit the information content of hyperspectral remote sensing data. A method of identifying and mapping materials using spectral feature analyses of reflectance data in an expert-system framework called MICA (Material Identification and Characterization Algorithm) is described. MICA is a module of the PRISM (Processing Routines in IDL for Spectroscopic Measurements) software, available to the public from the U.S. Geological Survey (USGS) at http://pubs.usgs.gov/of/2011/1155/. The core concepts of MICA include continuum removal and linear regression to compare key diagnostic absorption features in reference laboratory/field spectra and the spectra being analyzed. The reference spectra, diagnostic features, and threshold constraints are defined within a user-developed MICA command file (MCF). Building on several decades of experience in mineral mapping, a broadly-applicable MCF was developed to detect a set of minerals frequently occurring on the Earth's surface and applied to map minerals in the country-wide coverage of the 2007 Afghanistan HyMap data set. MICA has also been applied to detect sub-pixel oil contamination in marshes impacted by the Deepwater Horizon incident by discriminating the C-H absorption features in oil residues from background vegetation. These two recent examples demonstrate the utility of a spectroscopic approach to remote sensing for identifying and mapping the distributions of materials in imaging spectrometer data.

Spectral reflectance data of a high temperature stable solar selective coating based on MoSi2 -Si3N4.

PubMed

Hernández-Pinilla, D; Rodríguez-Palomo, A; Álvarez-Fraga, L; Céspedes, E; Prieto, J E; Muñoz-Martín, A; Prieto, C

2016-06-01

Data of optical performance, thermal stability and ageing are given for solar selective coatings (SSC) based on a novel MoSi2-Si3N4 absorbing composite. SSC have been prepared as multilayer stacks formed by silver as metallic infrared reflector, a double layer composite and an antireflective layer (doi: 10.1016/j.solmat.2016.04.001 [1]). Spectroscopic reflectance data corresponding to the optical performance of samples after moderate vacuum annealing at temperatures up to 600 °C and after ageing test of more than 200 h with several heating-cooling cycles are shown here.

A diffuse reflectance infrared Fourier transform spectroscopic study of adsorbed hydrazines

NASA Technical Reports Server (NTRS)

Davis, Dennis D.; Kilduff, Jan E.; Koontz, Steven L.

1988-01-01

Diffuse reflectance spectroscopy of fuel hydrazines adsorbed on silica, silica-alumina and alimina surfaces indicates that the primary surface-hydrazine interaction is hydrogen bonding. Hydrazine, on adsorption to a deuterated silica surface, undergoes a rapid H/D exchange with deuterated surface silanol (Si-OD) groups. Adsorption equilibria are rapidly established at room temperature. Monomethylhydrazine and unsymmetrical dimethylhydrazine are similarly adsorbed. On adsorption, the C-H stretching and methyl deformation modes of the methylhydrazines are shifted to higher frequencies by 10 to 20 cm(-1). These shifts are postulated to be due to changes in the lone-pair electro-density on the adjacent nitrogen atom and an electronegativity effect.

Relation of the spectroscopic reflectance of olivine to mineral chemistry and some remote sensing implications.

USGS Publications Warehouse

King, T.V.V.; Ridley, W.I.

1987-01-01

Using high-resolution visible and near-infrared diffuse spectral reflectance, systematically investigates apparent wavelength shifts as a function of mineral chemistry in the Fe/Mg olivine series from Fo11 to Fo91. The study also shows that trace amounts of nickel can be spectrally detected in the olivine structure. Significant spectral variation as a function of grain size is also demonstrated, adding a further complication to the interpretation of remotely sensed data from olivine-rich surfaces. Some permutations of Fe-Mg-Ni relations in olivines are discussed as they apply to the interpretation of asteroid surfaces and other extraterrestrial bodies. -from Authors

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.

Powder Handling Device for Analytical Instruments

NASA Technical Reports Server (NTRS)

Sarrazin, Philippe C. (Inventor); Blake, David F. (Inventor)

2006-01-01

Method and system for causing a powder sample in a sample holder to undergo at least one of three motions (vibration, rotation and translation) at a selected motion frequency in order to present several views of an individual grain of the sample. One or more measurements of diffraction, fluorescence, spectroscopic interaction, transmission, absorption and/or reflection can be made on the sample, using light in a selected wavelength region.

Beryllium and Boron abundances in population II stars

NASA Technical Reports Server (NTRS)

1995-01-01

The scientific focus of this program was to undertake UV spectroscopic abundance analyses of extremely metal poor stars with attention to determining abundances of light elements such as beryllium and boron. The abundances are likely to reflect primordial abundances within the early galaxy and help to constrain models for early galactic nucleosynthesis. The general metal abundances of these stars are also important for understanding stellar evolution.

Environmental Durability of Adhesively Bonded Joints

DTIC Science & Technology

1997-10-14

REPORT DOCUMENTATION PAGE Form Approved OMB No. 07040188 Public reporting burden for tis collection of information isestimated to average 1 hour per...transmittance and reflectance spectroscopy was performed using Nicolet’s OMNIC software for the set-up, control, and analysis of spectroscopic scans... publications inciudc: JAhIN’. W S. iind Butjkus, L.M., "Considetring E~nvironmental Condjitions ill the Design ()’ Bonded Structures: A Fracture

Inherited Fe and Ti electron transition spectroscopic features in altered ultramafic-carbonatite intrusives

NASA Astrophysics Data System (ADS)

Shavers, E. J.; Ghulam, A.; Encarnacion, J. P.

2016-12-01

Spectroscopic reflectance in the visible to short-wave infrared region is an important tool for remote geologic mapping and is applied at scales from satellite to field measurements. Remote geologic mapping is challenging in regions subject to significant surficial weathering. Here we identify absorption features found in altered volcanic pipes and dikes in the Avon Volcanic District, Missouri, that are inherited from the original ultramafic and carbonatite lithology. Alteration ranges from small degree hydrothermal alteration to extensive laterization. The absorption features are three broad minima centered near 690, 890, and 1100 nm. Features in this region are recognized to be caused by ferric and ferrous Fe minerals including olivine, carbonates, chlorite, and goethite all of which are found among the Avon pipes and dikes that are in various stages of alteration. Iron-related intervalence charge transfer and crystal field perturbations of ions are the principal causes of the spectroscopic features in the visible to near-infrared region yet spectra are also distorted by factors like texture and the presence of opaque minerals known to reduce overall reflectance. In the Avon samples, Fe oxide content can reach >15 wt% leading to prominent absorption features even in the less altered ultramafics with reflectance curve maxima as low as 5%. The exaggerated minima allow the altered intrusive rocks to stand out among other weathered lithologies that will often have clay features in the region yet have lower iron concentration. The absorption feature centered near 690 nm is particularly noteworthy. Broad mineral-related absorption features centered at this wavelength are rare but have been linked to Ti3+ in octahedral coordination. The reduced form of Ti is not common in surface lithologies. Titanium-rich andradite has Ti3+ in the octahedral position, is resistant to weathering, is found among the Avon lithologies including ultramafic, carbonatite, and carbonated breccia, and is identified here as the cause of the 690 nm absorption feature. The Ti3+ absorption feature centered near 690 nm and strong Fe absorption features at 890 and 1100 nm may be useful indicators of rare intrusive lithologies in remote geologic mapping.

Novel pyropheophorbide steryl esters in Black Sea sediments

NASA Astrophysics Data System (ADS)

King, Linda L.; Repeta, Daniel J.

1991-07-01

A series of non-polar chlorophyll degradation products (NPCs) with greater than 10 components has been isolated from Black Sea sediment and identified as pyropheophorbide steryl esters by visible and mass spectrometry. These compounds have been previously observed in seawater and sediment trap samples, and may be formed during grazing of phytoplankton by zooplanktonic herbivores. In Black Sea sediments, NPCs constitute 14% of the total phorbins determined spectroscopically at 660 nm, and 39% of the total chlorophyll degradation products measured by high pressure liquid chromatography. NPCs therefore constitute a significant sedimentary sink for chlorophyll. The distribution of sterols released by hydrolysis of NPCs most closely resembles sterols in suspended particulate matter collected from the euphotic zone and is quite different from the distribution of solvent-extractable sterols in sediments. Sterols extracted from sediments have high concentrations of 4-methylsterols and high stanol/stenol ratios. NPC-derived sterols have very low concentrations of 4-methylsterols and low stanol/stenol ratios. We suggest that these differences reflect an enhanced preservation of NPCs in sediments relative to free sterols and phorbins. As a result, the original production of sterols in the euphotic zone may be more closely approximated by the distribution of NPC-derived sterols than by the distribution of free sterols in sediments.

Novel pyropheophorbide steryl esters in Black Sea sediments

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

King, L.L.; Repeta, D.J.

1991-07-01

A series of non-polar chlorophyll degradation products (NPCs) with greater than 10 components has been isolated from Black Sea sediment and identified as pyropheophorbide steryl esters by visible and mass spectrometry. These compounds have been previously observed in seawater and sediment trap samples, and may be formed during grazing of phytoplankton by zooplanktonic herbivores. In Black Sea sediments, NPCs constitute 14% of the total phorbins determined spectroscopically at 660 nm, and 39% of the total chlorophyll degradation products measured by high pressure liquid chromatography. NPCs therefore constitute a significant sedimentary sink for chlorophyll. The distribution of sterols released by hydrolysismore » of NPCs most closely resembles sterols in suspended particulate matter collected from the euphotic zone and is quite different from the distribution of solvent-extractable sterols in sediments. Sterols extracted from sediemtns have high concentrations of 4-methylsterols and high stanol/stenol ratios. BNPC-derived sterols have very low concentrations of 4-methylsterols and low stanol/stenol ratios. The authors suggest that these differences reflect an enhanced preservation of HPCs in sediments relative to free sterols and phorbins. As a result, the original production of sterols in the euphotic zone may be more closely approximated by the distribution of NPC-derived sterols than by the distribution of free sterols in sediments.« less

Spectroscopic Determination of Aboveground Biomass in Grasslands Using Spectral Transformations, Support Vector Machine and Partial Least Squares Regression

PubMed Central

Marabel, Miguel; Alvarez-Taboada, Flor

2013-01-01

Aboveground biomass (AGB) is one of the strategic biophysical variables of interest in vegetation studies. The main objective of this study was to evaluate the Support Vector Machine (SVM) and Partial Least Squares Regression (PLSR) for estimating the AGB of grasslands from field spectrometer data and to find out which data pre-processing approach was the most suitable. The most accurate model to predict the total AGB involved PLSR and the Maximum Band Depth index derived from the continuum removed reflectance in the absorption features between 916–1,120 nm and 1,079–1,297 nm (R2 = 0.939, RMSE = 7.120 g/m2). Regarding the green fraction of the AGB, the Area Over the Minimum index derived from the continuum removed spectra provided the most accurate model overall (R2 = 0.939, RMSE = 3.172 g/m2). Identifying the appropriate absorption features was proved to be crucial to improve the performance of PLSR to estimate the total and green aboveground biomass, by using the indices derived from those spectral regions. Ordinary Least Square Regression could be used as a surrogate for the PLSR approach with the Area Over the Minimum index as the independent variable, although the resulting model would not be as accurate. PMID:23925082

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

VizieR Online Data Catalog: NIR spectral analysis of star-forming galaxies (Genzel+, 2014)

NASA Astrophysics Data System (ADS)

Genzel, R.; Forster Schreiber, N. M.; Rosario, D.; Lang, P.; Lutz, D.; Wisnioski, E.; Wuyts, E.; Wuyts, S.; Bandara, K.; Bender, R.; Berta, S.; Kurk, J.; Mendel, J. T.; Tacconi, L. J.; Wilman, D.; Beifiori, A.; Brammer, G.; Burkert, A.; Buschkamp, P.; Chan, J.; Carollo, C. M.; Davies, R.; Eisenhauer, F.; Fabricius, M.; Fossati, M.; Kriek, M.; Kulkarni, S.; Lilly, S. J.; Mancini, C.; Momcheva, I.; Naab, T.; Nelson, E. J.; Renzini, A.; Saglia, R.; Sharples, R. M.; Sternberg, A.; Tacchella, S.; van Dokkum, P.

2017-02-01

For the analysis in this paper, we included a total of 110 SFGs at z~1-3 with near-IR integral field or slit spectroscopy covering the Hα+[NII] line emission from surveys carried out with SINFONI, KMOS, LUCI, and GNIRS. The targets for these surveys were originally drawn from rest-frame optical, UV, and near-IR selected samples in broadband imaging surveys with optical spectroscopic redshifts, and from stellar mass-selected samples with near-IR or optical spectroscopic redshifts. (2 data files).

Use of thermal analysis techniques (TG-DSC) for the characterization of diverse organic municipal waste streams to predict biological stability prior to land application

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

Fernandez, Jose M., E-mail: joseman@sas.upenn.edu; Plaza, Cesar; Polo, Alfredo

2012-01-15

Highlights: Black-Right-Pointing-Pointer Thermal analysis was used to assess stability and composition of organic matter in three diverse municipal waste streams. Black-Right-Pointing-Pointer Results were compared with C mineralization during 90-day incubation, FTIR and {sup 13}C NMR. Black-Right-Pointing-Pointer Thermal analysis reflected the differences between the organic wastes before and after the incubation. Black-Right-Pointing-Pointer The calculated energy density showed a strong correlation with cumulative respiration. Black-Right-Pointing-Pointer Conventional and thermal methods provide complimentary means of characterizing organic wastes. - Abstract: The use of organic municipal wastes as soil amendments is an increasing practice that can divert significant amounts of waste from landfill, and providesmore » a potential source of nutrients and organic matter to ameliorate degraded soils. Due to the high heterogeneity of organic municipal waste streams, it is difficult to rapidly and cost-effectively establish their suitability as soil amendments using a single method. Thermal analysis has been proposed as an evolving technique to assess the stability and composition of the organic matter present in these wastes. In this study, three different organic municipal waste streams (i.e., a municipal waste compost (MC), a composted sewage sludge (CS) and a thermally dried sewage sludge (TS)) were characterized using conventional and thermal methods. The conventional methods used to test organic matter stability included laboratory incubation with measurement of respired C, and spectroscopic methods to characterize chemical composition. Carbon mineralization was measured during a 90-day incubation, and samples before and after incubation were analyzed by chemical (elemental analysis) and spectroscopic (infrared and nuclear magnetic resonance) methods. Results were compared with those obtained by thermogravimetry (TG) and differential scanning calorimetry (DSC) techniques. Total amounts of CO{sub 2} respired indicated that the organic matter in the TS was the least stable, while that in the CS was the most stable. This was confirmed by changes detected with the spectroscopic methods in the composition of the organic wastes due to C mineralization. Differences were especially pronounced for TS, which showed a remarkable loss of aliphatic and proteinaceous compounds during the incubation process. TG, and especially DSC analysis, clearly reflected these differences between the three organic wastes before and after the incubation. Furthermore, the calculated energy density, which represents the energy available per unit of organic matter, showed a strong correlation with cumulative respiration. Results obtained support the hypothesis of a potential link between the thermal and biological stability of the studied organic materials, and consequently the ability of thermal analysis to characterize the maturity of municipal organic wastes and composts.« less

Dioxygen Binding, Activation, and Reduction to H2O by Cu Enzymes.

PubMed

Solomon, Edward I

2016-07-05

Oxygen intermediates in copper enzymes exhibit unique spectroscopic features that reflect novel geometric and electronic structures that are key to reactivity. This perspective will describe: (1) the bonding origin of the unique spectroscopic features of the coupled binuclear copper enzymes and how this overcomes the spin forbiddenness of O2 binding and activates monooxygenase activity, (2) how the difference in exchange coupling in the non-coupled binuclear Cu enzymes controls the reaction mechanism, and (3) how the trinuclear Cu cluster present in the multicopper oxidases leads to a major structure/function difference in enabling the irreversible reductive cleavage of the O-O bond with little overpotential and generating a fully oxidized intermediate, different from the resting enzyme studied by crystallography, that is key in enabling fast PCET in the reductive half of the catalytic cycle.

The application of thermodynamic and spectroscopic techniques to adhesion in the polyimide/Ti 6-4 and polyphenylquinoxaline/Ti 6-4 systems

NASA Technical Reports Server (NTRS)

Dias, S.; Wightman, J. P.

1984-01-01

The results of calorimetric measurements of Ti adherend surfaces are presented. The measurements were carried out after several chemical pretreatments and after fracture of several lap shear samples aged at high temperature. The exact composition of the Ti samples was Ti(6 percent Al-4 percent V). The adhesives used were polyimides and polyphenylquinoxalines (PPQ). Each chemical pretreatment was accompanied by a unique spectroscopic feature which was characterized by XPS, SEM, and specular reflectance infrared spectroscopy. The energetics of the interaction between primer solutions and the Ti adherend were evaluated by microcalorimetry. Changes in the structure of the surface oxide layer upon heating of the adherend were deduced from immersion temperatures of the PI and PPQ solutions. The XPS and SEM data are given is a table.

Use of thermal analysis techniques (TG-DSC) for the characterization of diverse organic municipal waste streams to predict biological stability prior to land application.

PubMed

Fernández, José M; Plaza, César; Polo, Alfredo; Plante, Alain F

2012-01-01

The use of organic municipal wastes as soil amendments is an increasing practice that can divert significant amounts of waste from landfill, and provides a potential source of nutrients and organic matter to ameliorate degraded soils. Due to the high heterogeneity of organic municipal waste streams, it is difficult to rapidly and cost-effectively establish their suitability as soil amendments using a single method. Thermal analysis has been proposed as an evolving technique to assess the stability and composition of the organic matter present in these wastes. In this study, three different organic municipal waste streams (i.e., a municipal waste compost (MC), a composted sewage sludge (CS) and a thermally dried sewage sludge (TS)) were characterized using conventional and thermal methods. The conventional methods used to test organic matter stability included laboratory incubation with measurement of respired C, and spectroscopic methods to characterize chemical composition. Carbon mineralization was measured during a 90-day incubation, and samples before and after incubation were analyzed by chemical (elemental analysis) and spectroscopic (infrared and nuclear magnetic resonance) methods. Results were compared with those obtained by thermogravimetry (TG) and differential scanning calorimetry (DSC) techniques. Total amounts of CO(2) respired indicated that the organic matter in the TS was the least stable, while that in the CS was the most stable. This was confirmed by changes detected with the spectroscopic methods in the composition of the organic wastes due to C mineralization. Differences were especially pronounced for TS, which showed a remarkable loss of aliphatic and proteinaceous compounds during the incubation process. TG, and especially DSC analysis, clearly reflected these differences between the three organic wastes before and after the incubation. Furthermore, the calculated energy density, which represents the energy available per unit of organic matter, showed a strong correlation with cumulative respiration. Results obtained support the hypothesis of a potential link between the thermal and biological stability of the studied organic materials, and consequently the ability of thermal analysis to characterize the maturity of municipal organic wastes and composts. Copyright © 2011 Elsevier Ltd. All rights reserved.

Strong-lensing analysis of A2744 with MUSE and Hubble Frontier Fields images

NASA Astrophysics Data System (ADS)

Mahler, G.; Richard, J.; Clément, B.; Lagattuta, D.; Schmidt, K.; Patrício, V.; Soucail, G.; Bacon, R.; Pello, R.; Bouwens, R.; Maseda, M.; Martinez, J.; Carollo, M.; Inami, H.; Leclercq, F.; Wisotzki, L.

2018-01-01

We present an analysis of Multi Unit Spectroscopic Explorer (MUSE) observations obtained on the massive Frontier Fields (FFs) cluster A2744. This new data set covers the entire multiply imaged region around the cluster core. The combined catalogue consists of 514 spectroscopic redshifts (with 414 new identifications). We use this redshift information to perform a strong-lensing analysis revising multiple images previously found in the deep FF images, and add three new MUSE-detected multiply imaged systems with no obvious Hubble Space Telescope counterpart. The combined strong-lensing constraints include a total of 60 systems producing 188 images altogether, out of which 29 systems and 83 images are spectroscopically confirmed, making A2744 one of the most well-constrained clusters to date. Thanks to the large amount of spectroscopic redshifts, we model the influence of substructures at larger radii, using a parametrization including two cluster-scale components in the cluster core and several group scale in the outskirts. The resulting model accurately reproduces all the spectroscopic multiple systems, reaching an rms of 0.67 arcsec in the image plane. The large number of MUSE spectroscopic redshifts gives us a robust model, which we estimate reduces the systematic uncertainty on the 2D mass distribution by up to ∼2.5 times the statistical uncertainty in the cluster core. In addition, from a combination of the parametrization and the set of constraints, we estimate the relative systematic uncertainty to be up to 9 per cent at 200 kpc.

PG 1316+678: A young pre-cataclysmic binary with weak reflection effects

NASA Astrophysics Data System (ADS)

Shimansky, V. V.; Borisov, N. V.; Bikmaev, I. F.; Sakhibullin, N. A.; Shimanskaya, N. N.; Spiridonova, O. I.; Irtuganov, E. N.

2013-03-01

The PG 1316+678 star is classified as a pre-cataclysmic binary, as is evidenced by its photometric and spectroscopic observations. Its orbital period is determined to be P orb = 3.3803d, which coincides with the photometric period. The intensities of the emission HI and HeI lines are shown to vary synchronously with the brightness of the object (Δ m V = 0.065 m , Δ m R = 0.08 m ). These variations arise as the UV radiation from the DAO white dwarf is reflected from the surface of the cold companion. The parameters of the binary are estimated and the time of its evolution after the common-envelope phase is determined to be t ≈ 240 000 years. Thus, PG 1316+678 is a young pre-cataclysmic NN Ser variable with the smallest known photometric reflection effect.

Precise strong lensing mass profile of the CLASH galaxy cluster MACS 2129

NASA Astrophysics Data System (ADS)

Monna, A.; Seitz, S.; Balestra, I.; Rosati, P.; Grillo, C.; Halkola, A.; Suyu, S. H.; Coe, D.; Caminha, G. B.; Frye, B.; Koekemoer, A.; Mercurio, A.; Nonino, M.; Postman, M.; Zitrin, A.

2017-04-01

We present a detailed strong lensing (SL) mass reconstruction of the core of the galaxy cluster MACS J2129.4-0741 (zcl = 0.589) obtained by combining high-resolution Hubble Space Telescope photometry from the CLASH (Cluster Lensing And Supernovae survey with Hubble) survey with new spectroscopic observations from the CLASH-VLT (Very Large Telescope) survey. A background bright red passive galaxy at zsp = 1.36, sextuply lensed in the cluster core, has four radial lensed images located over the three central cluster members. Further 19 background lensed galaxies are spectroscopically confirmed by our VLT survey, including 3 additional multiple systems. A total of 31 multiple images are used in the lensing analysis. This allows us to trace with high precision the total mass profile of the cluster in its very inner region (R < 100 kpc). Our final lensing mass model reproduces the multiple images systems identified in the cluster core with high accuracy of 0.4 arcsec. This translates to a high-precision mass reconstruction of MACS 2129, which is constrained at a level of 2 per cent. The cluster has Einstein parameter ΘE = (29 ± 4) arcsec and a projected total mass of Mtot(<ΘE) = (1.35 ± 0.03) × 1014 M⊙ within such radius. Together with the cluster mass profile, we provide here also the complete spectroscopic data set for the cluster members and lensed images measured with VLT/Visible Multi-Object Spectrograph within the CLASH-VLT survey.

A Single Element Charge Injection Device as a Spectroscopic Detector.

DTIC Science & Technology

1987-05-26

major approaches to designing a AES spectrometer exist, one involving simultaneous multiwavelength monitoring with multiple detectors or an imaging...are below 1%. (2) Limited Spectral Range. While it is possible to construct photocathodes optimized for maximum response within nearly any UV -visible...reflectance paint. A ring of five light emitting diodes ( LEDs ) inside the cylinder is used as a light source, with the duration of illumination

Martian dunite NWA 2737: Integrated spectroscopic analyses of brown olivine

NASA Astrophysics Data System (ADS)

Pieters, Carle M.; Klima, Rachel L.; Hiroi, Takahiro; Dyar, M. Darby; Lane, Melissa D.; Treiman, Allan H.; Noble, Sarah K.; Sunshine, Jessica M.; Bishop, Janice L.

2008-06-01

A second Martian meteorite has been identified that is composed primarily of heavily shocked dunite, Northwest Africa (NWA) 2737. This meteorite has several similarities to the Chassigny dunite cumulate, but the olivine is more Mg rich and, most notably, is very dark and visually brown. Carefully coordinated analyses of NWA 2737 whole-rock and olivine separates were undertaken using visible and near-infrared reflectance, midinfrared emission and reflectance, and Mössbauer spectroscopic studies of the same samples along with detailed petrography, chemistry, scanning electron microscopy, and transmission electron microscopy analyses. Midinfrared spectra of this sample indicate that the olivine is fully crystalline and that its molecular structure remains intact. The unusual color and spectral properties that extend from the visible through the near-infrared part of the spectrum are shown to be due to nanophase metallic iron particles dispersed throughout the olivine during a major shock event on Mars. Although a minor amount of Fe3+ is present, it cannot account for the well-documented unusual optical properties of Martian meteorite NWA 2737. Perhaps unique to the Martian environment, this ``brown'' olivine exhibits spectral properties that can potentially be used to remotely explore the pressure-temperature history of surface geology as well as assess surface composition.

Variable magnification variable dispersion glancing incidence imaging x-ray spectroscopic telescope

NASA Technical Reports Server (NTRS)

Hoover, Richard B. (Inventor)

1991-01-01

A variable magnification variable dispersion glancing incidence x-ray spectroscopic telescope capable of multiple high spatial revolution imaging at precise spectral lines of solar and stellar x-ray and extreme ultraviolet radiation sources includes a pirmary optical system which focuses the incoming radiation to a primary focus. Two or more rotatable carries each providing a different magnification are positioned behind the primary focus at an inclination to the optical axis, each carrier carrying a series of ellipsoidal diffraction grating mirrors each having a concave surface on which the gratings are ruled and coated with a mutlilayer coating to reflect by diffraction a different desired wavelength. The diffraction grating mirrors of both carriers are segments of ellipsoids having a common first focus coincident with the primary focus. A contoured detector such as an x-ray sensitive photogrpahic film is positioned at the second respective focus of each diffraction grating so that each grating may reflect the image at the first focus to the detector at the second focus. The carriers are selectively rotated to position a selected mirror for receiving radiation from the primary optical system, and at least the first carrier may be withdrawn from the path of the radiation to permit a selected grating on the second carrier to receive radiation.

Variable magnification variable dispersion glancing incidence imaging x ray spectroscopic telescope

NASA Technical Reports Server (NTRS)

Hoover, Richard (Inventor)

1990-01-01

A variable magnification variable dispersion glancing incidence x ray spectroscopic telescope capable of multiple high spatial revolution imaging at precise spectral lines of solar and stellar x ray and extreme ultraviolet radiation sources includes a primary optical system which focuses the incoming radiation to a primary focus. Two or more rotatable carriers each providing a different magnification are positioned behind the primary focus at an inclination to the optical axis, each carrier carrying a series of ellipsoidal diffraction grating mirrors each having a concave surface on which the gratings are ruled and coated with a multilayer coating to reflect by diffraction a different desired wavelength. The diffraction grating mirrors of both carriers are segments of ellipsoids having a common first focus coincident with the primary focus. A contoured detector such as an x ray sensitive photographic film is positioned at the second respective focus of each diffraction grating so that each grating may reflect the image at the first focus to the detector at the second focus. The carriers are selectively rotated to position a selected mirror for receiving radiation from the primary optical system, and at least the first carrier may be withdrawn from the path of the radiation to permit a selected grating on the second carrier to receive radiation.

Investigation of Wyoming Bentonite Hydration in Dry to Water-Saturated Supercritical CO2: Implications for Caprock Integrity

NASA Astrophysics Data System (ADS)

Loring, J. S.; Chen, J.; Thompson, C.; Schaef, T.; Miller, Q. R.; Martin, P. F.; Ilton, E. S.; Qafoku, O.; Felmy, A. R.; Rosso, K. M.

2012-12-01

The effectiveness of geologic sequestration as an enterprise for CO2 storage depends partly on the reactivity of supercritical CO2 (scCO2) with caprock minerals. Injection of scCO2 will displace formation water, and the pore space adjacent to overlying caprocks could eventually be dominated by dry to water-saturated scCO2. Caprock formations have high concentrations of clay minerals, including expandable montmorillonites. Water-bearing scCO2 is highly reactive and capable of hydrating or dehydrating clays, possibly leading to porosity and permeability changes that directly impact caprock performance. Dehydration will cause montmorillonite clay minerals in caprocks to contract, thereby decreasing solid volume and possibly increasing caprock permeability and porosity. On the other hand, water intercalation will cause these clays to expand, thereby increasing solid volume and possibly leading to self-sealing of caprock fractures. Pacific Northwest National Laboratory's Carbon Sequestration Initiative is developing capabilities for studying wet scCO2-mineral reactions in situ. Here, we introduce novel in situ infrared (IR) spectroscopic instrumentation that enables quantitative titrations of reactant minerals with water in scCO2. Results are presented for the infrared spectroscopic titrations of Na-, Ca-, and Mg-saturated Wyoming betonites with water over concentrations ranging from zero to scCO2 saturated. These experiments were carried out at 50°C and 90 bar. Transmission IR spectroscopy was used to measure concentrations of water dissolved in the scCO2 or intercalated into the clays. The titration curves evaluated from the transmission-IR data are compared between the three types of clays to assess the effects of the cation on water partitioning. Single-reflection attenuated total reflection (ATR) IR spectroscopy was used to collect the spectrum of the clays as they hydrate at every total water concentration during the titration. Clay hydration is evidenced by increases in absorbance of the OH stretching and HOH bending modes of the intercalated waters. The ATR-IR data also indicate that CO2 is intercalated in the clay. The asymmetric stretching band of the CO2 molecules that are intercalated in the clay is narrower than that stretching band of bulk scCO2, which indicates that the spectral contribution from rotational fine structure is minimal and the intercalated CO2 is rotationally constrained. A chemometrics analysis of the complete set of ATR-IR spectra spanning the range of total water concentrations covered in the titration finds that there are at least two types of intercalated waters, two types of intercalated CO2 molecules, and the concentrations of these intercalated waters and CO2 molecules are correlated. These quantitative data, when coupled with in situ XRD results that predict interlayer spacing and clay volume, demonstrate that water and CO2 intercalation processes in expandable montmorillonite clays could lead to porosity and permeability changes that directly impact caprock performance.

A non-destructive spectroscopic study of the decoration of archaeological pottery: from matt-painted bichrome ceramic sherds (southern Italy, VIII-VII B.C.) to an intact Etruscan cinerary urn

NASA Astrophysics Data System (ADS)

Bruni, Silvia; Guglielmi, Vittoria; Della Foglia, Elena; Castoldi, Marina; Bagnasco Gianni, Giovanna

2018-02-01

A study is presented based on the use of entirely non-destructive spectroscopic techniques to analyze the chemical composition of the painted surface layer of archaeological pottery. This study aims to define both the raw materials and the working technology of ancient potters. Energy-dispersive X-ray analysis, micro-Raman spectroscopy, visible and near infrared (NIR) diffuse reflection spectroscopy and external reflection Fourier-transform infrared (FTIR) spectroscopy were applied to matt-painted bichrome pottery sherds (VIII-VII century B.C.) from the site of Incoronata near Metaponto in southern Italy. Two different raw materials, ochre and iron-rich clay, were recognized for the red decoration, while the dark areas resulted to have been obtained by the so-called manganese black technique. In any case, it was demonstrated that the decoration was applied before firing, in spite of its sometimes grainy aspect that could suggest a post-firing application. For the samples with a more sophisticated decorative pattern a red/black/white polychromy was recognized, as the lighter areas correspond to an ;intentional white; obtained by the firing of a calcium-rich clay. Reflection spectroscopy in the visible-NIR and mid-IR as well as micro-Raman spectroscopy were then employed to characterize the decoration of an intact ceramic urn from the Etruscan town of Chiusi, evidencing a post-firing painting based on the use of red ochre, carbon black and lime, possibly imitating the ;fresco; technique used in wall paintings.

The Grism Lens-Amplified Survey from Space (GLASS). VI. Comparing the Mass and Light in MACS J0416.1-2403 Using Frontier Field Imaging and GLASS Spectroscopy

NASA Astrophysics Data System (ADS)

Hoag, A.; Huang, K.-H.; Treu, T.; Bradač, M.; Schmidt, K. B.; Wang, X.; Brammer, G. B.; Broussard, A.; Amorin, R.; Castellano, M.; Fontana, A.; Merlin, E.; Schrabback, T.; Trenti, M.; Vulcani, B.

2016-11-01

We present a model using both strong and weak gravitational lensing of the galaxy cluster MACS J0416.1-2403, constrained using spectroscopy from the Grism Lens-Amplified Survey from Space (GLASS) and Hubble Frontier Fields (HFF) imaging data. We search for emission lines in known multiply imaged sources in the GLASS spectra, obtaining secure spectroscopic redshifts of 30 multiple images belonging to 15 distinct source galaxies. The GLASS spectra provide the first spectroscopic measurements for five of the source galaxies. The weak lensing signal is acquired from 884 galaxies in the F606W HFF image. By combining the weak lensing constraints with 15 multiple image systems with spectroscopic redshifts and nine multiple image systems with photometric redshifts, we reconstruct the gravitational potential of the cluster on an adaptive grid. The resulting map of total mass density is compared with a map of stellar mass density obtained from the deep Spitzer Frontier Fields imaging data to study the relative distribution of stellar and total mass in the cluster. We find that the projected stellar mass to total mass ratio, f ⋆, varies considerably with the stellar surface mass density. The mean projected stellar mass to total mass ratio is < {f}\\star > =0.009+/- 0.003 (stat.), but with a systematic error as large as 0.004-0.005, dominated by the choice of the initial mass function. We find agreement with several recent measurements of f ⋆ in massive cluster environments. The lensing maps of convergence, shear, and magnification are made available to the broader community in the standard HFF format.

The STIS CCD Spectroscopic Line Spread Functions

NASA Technical Reports Server (NTRS)

Gull, T.; Lindler, D.; Tennant, D.; Bowers, C.; Grady, C.; Hill, R. S.; Malumuth, E.

2002-01-01

We characterize the spectroscopic line spread functions of the spectroscopic CCD modes for high contrast objects. Our long range goal is to develop tools that accurately extract spectroscopic information of faint, point or extended sources in the vicinity of bright, point sources at separations approaching the realizable angular limits of HST with STIS. Diffracted and scattered light due to the HST optics, and scattered light effects within the STIS are addressed. Filter fringing, CCD fringing, window reflections, and scattering within the detector and other effects are noted. We have obtained spectra of several reference stars, used for flux calibration or for coronagraphic standards, that have spectral distributions ranging from very red to very blue. Spectra of each star were recorded with the star in the aperture and with the star blocked by either the F1 or F2 fiducial. Plots of the detected starlight along the spatial axis of the aperture are provided for four stars. With the star in the aperture, the line spread function is quite noticeable. Placing the star behind one of the fiducials cuts the scattered light and the diffracted light, is detectable even out to 1OOOOA. When the star is placed behind either fiducial, the scattered and diffracted light components, at three arcseconds displacement from the star, are below lop6 the peak of the star at wavelengths below 6000A; at the same angular distance, scattered light does contaminate the background longward of 6000A up to a level of 10(exp -5).

The Effect of Pressure and Temperature on Mid-Infrared Sensing of Dissolved Hydrocarbons in Water.

PubMed

Heath, Charles; Myers, Matthew; Pejcic, Bobby

2017-12-19

Attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy using a polymer coated internal reflection element/waveguide is an established sensor platform for the detection of a range of organic and hydrocarbon molecules dissolved in water. The polymer coating serves two purposes: to concentrate hydrocarbons from the aqueous phase and to exclude water along with other interfering molecules from the surface of the internal reflection element. Crucial to reliable quantification and analytical performance is the calibration of the ATR-FTIR sensor which is commonly performed in water under mild ambient conditions (i.e., 25 °C and 1 atm). However, there is a pressing need to monitor environmental and industrial processes/events that may occur at high pressures and temperatures where this calibration approach is unsuitable. Using a ruggedized optical fiber probe with a diamond-based ATR, we have conducted mid-infrared sensor experiments to understand the influence of high pressure (up to 207 bar) and temperature (up to 80 °C) on the detection of toluene and naphthalene dissolved in water. Using a poly(isobutylene) film, we have shown that the IR spectroscopic response is relatively unaffected by changes in pressure; however, a diminished response was observed with increasing temperature. We reveal that changes in the refractive index of the polymer film with temperature have only a minor effect on sensitivity. A more plausible explanation for the observed significant change in sensor response with temperature is that the partitioning process is exothermic and becomes less favorable with increasing temperature. This Article shows that the sensitivity is relatively invariant to pressure; however, the thermal variations are significant and need to be considered when quantifying the concentration of hydrocarbons in water.

The temperature dependence of optical properties of tungsten in the visible and near-infrared domains: an experimental and theoretical study

NASA Astrophysics Data System (ADS)

Minissale, Marco; Pardanaud, Cedric; Bisson, Régis; Gallais, Laurent

2017-11-01

The knowledge of optical properties of tungsten at high temperatures is of crucial importance in fields such as nuclear fusion and aerospace applications. The optical properties of tungsten are well known at room temperature, but little has been done at temperatures between 300 K and 1000 K in the visible and near-infrared domains. Here, we investigate the temperature dependence of tungsten reflectivity from the ambient to high temperatures (<1000 K) in the 500-1050 nm spectral range, a region where interband transitions make a strong contribution. Experimental measurements, performed via a spectroscopic system coupled with laser remote heating, show that tungsten’s reflectivity increases with temperature and wavelength. We have described these dependences through a Fresnel and two Lorentz-Drude models. The Fresnel model accurately reproduces the experimental curve at a given temperature, but it is able to simulate the temperature dependency of reflectivity only thanks to an ad hoc choice of temperature formulae for the refractive indexes. Thus, a less empirical approach, based on Lorentz-Drude models, is preferred to describe the interaction of light and charge carriers in the solid. The first Lorentz-Drude model, which includes a temperature dependency on intraband transitions, fits experimental results only qualitatively. The second Lorentz-Drude model includes in addition a temperature dependency on interband transitions. It is able to reproduce the experimental results quantitatively, highlighting a non-trivial dependence of interband transitions as a function of temperature. Eventually, we use these temperature dependent Lorentz-Drude models to evaluate the total emissivity of tungsten from 300 K to 3500 K, and we compare our experimental and theoretical findings with previous results.

Spectral reflectance data of a high temperature stable solar selective coating based on MoSi2–Si3N4

PubMed Central

Hernández-Pinilla, D.; Rodríguez-Palomo, A.; Álvarez-Fraga, L.; Céspedes, E.; Prieto, J.E.; Muñoz-Martín, A.; Prieto, C.

2016-01-01

Data of optical performance, thermal stability and ageing are given for solar selective coatings (SSC) based on a novel MoSi2–Si3N4 absorbing composite. SSC have been prepared as multilayer stacks formed by silver as metallic infrared reflector, a double layer composite and an antireflective layer (doi: 10.1016/j.solmat.2016.04.001 [1]). Spectroscopic reflectance data corresponding to the optical performance of samples after moderate vacuum annealing at temperatures up to 600 °C and after ageing test of more than 200 h with several heating–cooling cycles are shown here. PMID:27182544

Fabrication of broadband antireflection coating at terahertz frequency using a hot emboss method

NASA Astrophysics Data System (ADS)

Li, YunZhou; Cai, Bin; Zhu, YiMing

2014-11-01

We fabricated a terahertz anti-reflective structure on a polystylene by using a hot-embossing method. Polystylene was spin-coated onto a silicon substrate and then transformed by using a metallic mould comprising a bunch of Chinese acupuncture needles. The transformation layer yielded gradient refractive index profiles on the substrate which can reduce the surface reflection effectively. The samples were evaluated by a terahertz time-domain spectroscope. Compared with a bare silicon substrate, we observed an increase of ~30% in the transmittance. We also observed broader bandwidth properties compared with a single-layer antireflective structure. The process imposes no substrate limiting; i.e., it has great potential to be applied onto various THz devices.

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

Far-UV, visible, and near-IR reflectance spectra of frosts of H2O, CO2, NH3 and SO2

NASA Technical Reports Server (NTRS)

Hapke, B.; Wells, E.; Wagner, J.; Partlow, W.

1981-01-01

Measurements in the 0.1-2.5 micron range are presented for the reflectance spectra of the frosts of several volatiles pertinent to the study of comet nuclei. The frost spectra have distinctive features permitting their identification by spectroscopic reflectance remote sensing, notably in the far UV. It is found that: (1) H2O has a minimum at 0.16 microns and a maximum at 0.13 microns; (2) CO2 has minima near 0.21, 0.18 and 0.125 microns, with maxima at 0.19, 0.135 and 0.120 microns; (3) NH3 is bright at wavelengths longer than 0.21 microns, where reflectance drops to a value of only a few per cent at shorter wavelengths; (4) SO2 has a sharp drop at 0.32 microns, with a minimum at 0.18 microns and a maximum at 0.13 microns. The features in the frost spectra largely correspond to absorption line bands in the gas phase.

Investigations and application in piezoelectric phenol sensor of Langmuir-Schäfer films of a copper phthalocyanine derivative functionalized with bulky substituents.

PubMed

Giancane, G; Basova, T; Hassan, A; Gümüş, G; Gürek, A G; Ahsen, V; Valli, L

2012-07-01

An octa-substituted copper phthalocyanine was dissolved in chloroform and spread on ultrapure water subphase in a Langmuir trough. The floating films were characterized at the air-water interface by the Langmuir isotherm, Brewster angle microscopy, and UV-Vis reflection spectroscopy and transferred by Langmuir-Schäfer technique on a silicon substrate, and thickness, refractive index, and extinction coefficient of the phthalocyanine derivative thin film were calculated by means of spectroscopic ellipsometry. A different number of layers were deposited using Langmuir-Schäfer method onto QCM crystals, and the active layers were tested as sensors for the detection of phenols in aqueous solution. The piezoelectric sensor response, totally reversible, is influenced by the number of transferred layers and by the nature of the substituent; on the contrary, the pK(a) value of the injected analytes slightly affects the device performances. Repeatability of the sensor responses was tested, and the frequency variation appears unchanged at least for 100 days. Copyright © 2012 Elsevier Inc. All rights reserved.

Analysis of Toxic Amyloid Fibril Interactions at Natively Derived Membranes by Ellipsometry

PubMed Central

Smith, Rachel A. S.; Nabok, Aleksey; Blakeman, Ben J. F.; Xue, Wei-Feng; Abell, Benjamin; Smith, David P.

2015-01-01

There is an ongoing debate regarding the culprits of cytotoxicity associated with amyloid disorders. Although small pre-fibrillar amyloid oligomers have been implicated as the primary toxic species, the fibrillar amyloid material itself can also induce cytotoxicity. To investigate membrane disruption and cytotoxic effects associated with intact and fragmented fibrils, the novel in situ spectroscopic technique of Total Internal Reflection Ellipsometry (TIRE) was used. Fibril lipid interactions were monitored using natively derived whole cell membranes as a model of the in vivo environment. We show that fragmented fibrils have an increased ability to disrupt these natively derived membranes by causing a loss of material from the deposited surface when compared with unfragmented fibrils. This effect was corroborated by observations of membrane disruption in live cells, and by dye release assay using synthetic liposomes. Through these studies we demonstrate the use of TIRE for the analysis of protein-lipid interactions on natively derived lipid surfaces, and provide an explanation on how amyloid fibrils can cause a toxic gain of function, while entangled amyloid plaques exert minimal biological activity. PMID:26172440

XMM-Newton RGS observations of the Cat's Eye Nebula

NASA Astrophysics Data System (ADS)

Guerrero, M. A.; Toalá, J. A.; Chu, Y.-H.; Gruendl, R. A.

2015-02-01

We present an analysis of XMM-Newton Reflection Grating Spectrometer (RGS) observations of the planetary nebula (PN) NGC 6543. These observations render it the second PN with high-resolution X-ray spectroscopic observations after BD +30°3639. The observations consist of 26 pointings, 14 of which included RGS observations for a total integration time of 435 ks. Many of these observations, however, were severely affected by high-background levels, and the net useful exposure time is drastically reduced to 25 ks. Only the O vii triplet at 22 Å is unambiguously detected in the RGS spectrum of NGC 6543. We find this spectrum consistent with an optically thin plasma at 0.147 keV (1.7 MK) and nebular abundances. Unlike BD +30°3639, the X-ray emission from NGC 6543 does not reveal overabundances of C and Ne. The results suggest that the N/O ratio of the hot plasma is consistent with that of the stellar wind, that is, it is lower than the nebular N/O ratio, but this result is not conclusive.

Detection of familial adenomatous polyposis with polarized spectroscopic imaging and oral vascular density

NASA Astrophysics Data System (ADS)

Basiri, Ali; Edelstein, Daniel L.; Giardiello, Francis M.; Ramella-Roman, J. C.

2011-03-01

Familial Adenomatous Polyposis (FAP) is an autosomal dominant disease characterized by the development of multiple colonic polyps at younger age with a near 100% lifetime risk of colorectal cancer in later years. The determination of FAP is made after extensive clinical evaluation and genetic testing of at risk individuals. Genetic testing is expensive and in some cases deleterious mutations are not found in all patients with a clinical diagnosis of FAP. As such, the early identification of affected individuals could substantially eliminate associated morbidity and mortality. We investigated a novel spectro-polarimetric imaging system to capture images of the oral mucosa at different wavelengths in an attempt to distinguish patients with FAP from controls. Total diffused oral mucosal reflectance (OMR) and oral mucosal vascular density (OMVD) were calculated from spectral data collected from 33 patients with gene positive FAP, 5 patients who tested negative for FAP, and 45 controls. A statistically significant difference in OMVD (p < 0.001) was observed between individuals with FAP and controls. Analysis of OMR showed no significant difference between the two subject groups.

Barium coordination polymers based on fluorinated and fluorine-free benzene-dicarboxylates: Mechanochemical synthesis and spectroscopic characterization

NASA Astrophysics Data System (ADS)

Al-Terkawi, Abdal-Azim; Scholz, Gudrun; Emmerling, Franziska; Kemnitz, Erhard

2018-05-01

A series of new Ba-based coordination polymers (CPs) were mechanochemically synthesized by milling Ba-hydroxide samples with perfluorinated and fluorine-free benzene-dicarboxylic acids, including tetrafluoroisophthalic acid (H2mBDC-F4), tetrafluorophthalic acid (H2oBDC-F4), isophthalic acid (H2mBDC) and phthalic acid (H2oBDC). The new fluorinated CPs: [Ba(mBDC-F4)·0.5H2O] (1) and [Ba(oBDC-F4)·1.5H2O] (2) are compared to their nonfluorinated counterparts: [Ba(mBDC)·2.5H2O] (3), and [Ba(oBDC)·1H2O] (4). These materials are thoroughly characterized using powder X-ray diffraction. The products obtained by milling are all hydrated but vary in their water contents. Compositions and local structures are investigated by elemental analysis, thermal analysis, MAS NMR and attenuated total reflection-infrared spectroscopy. These materials exhibit high thermal stabilities but small surface areas that remain unchanged even after thermal treatments.

Insights into Kinetics of Agitation-Induced Aggregation of Hen Lysozyme under Heat and Acidic Conditions from Various Spectroscopic Methods

PubMed Central

Chaari, Ali; Fahy, Christine; Chevillot-Biraud, Alexandre; Rholam, Mohamed

2015-01-01

Protein misfolding and amyloid formation are an underlying pathological hallmark in a number of prevalent diseases of protein aggregation ranging from Alzheimer’s and Parkinson’s diseases to systemic lysozyme amyloidosis. In this context, we have used complementary spectroscopic methods to undertake a systematic study of the self-assembly of hen egg-white lysozyme under agitation during a prolonged heating in acidic pH. The kinetics of lysozyme aggregation, monitored by Thioflavin T fluorescence, dynamic light scattering and the quenching of tryptophan fluorescence by acrylamide, is described by a sigmoid curve typical of a nucleation-dependent polymerization process. Nevertheless, we observe significant differences between the values deduced for the kinetic parameters (lag time and aggregation rate). The fibrillation process of lysozyme, as assessed by the attenuated total reflection-Fourier transform infrared spectroscopy, is accompanied by an increase in the β-sheet conformation at the expense of the α-helical conformation but the time-dependent variation of the content of these secondary structures does not evolve as a gradual transition. Moreover, the tryptophan fluorescence-monitored kinetics of lysozyme aggregation is described by three phases in which the temporal decrease of the tryptophan fluorescence quantum yield is of quasilinear nature. Finally, the generated lysozyme fibrils exhibit a typical amyloid morphology with various lengths (observed by atomic force microscopy) and contain exclusively the full-length protein (analyzed by highly performance liquid chromatography). Compared to the data obtained by other groups for the formation of lysozyme fibrils in acidic pH without agitation, this work provides new insights into the structural changes (local, secondary, oligomeric/fibrillar structures) undergone by the lysozyme during the agitation-induced formation of fibrils. PMID:26571264

Synthesis of a Novel Polyethoxysilsesquiazane and Thermal Conversion into Ternary Silicon Oxynitride Ceramics with Enhanced Thermal Stability

PubMed Central

Iwase, Yoshiaki; Horie, Yoji; Daiko, Yusuke; Honda, Sawao

2017-01-01

A novel polyethoxysilsesquiazane ([EtOSi(NH)1.5]n, EtOSZ) was synthesized by ammonolysis at −78 °C of ethoxytrichlorosilane (EtOSiCl3), which was isolated by distillation as a reaction product of SiCl4 and EtOH. Attenuated total reflection-infra red (ATR-IR), 13C-, and 29Si-nuclear magnetic resonance (NMR) spectroscopic analyses of the ammonolysis product resulted in the detection of Si–NH–Si linkage and EtO group. The simultaneous thermogravimetric and mass spectrometry analyses of the EtOSZ under helium revealed cleavage of oxygen-carbon bond of the EtO group to evolve ethylene as a main gaseous species formed in-situ, which lead to the formation at 800 °C of quaternary amorphous Si–C–N with an extremely low carbon content (1.1 wt %) when compared to the theoretical EtOSZ (25.1 wt %). Subsequent heat treatment up to 1400 °C in N2 lead to the formation of X-ray amorphous ternary Si–O–N. Further heating to 1600 °C in N2 promoted crystallization and phase partitioning to afford Si2N2O nanocrystallites identified by the XRD and TEM analyses. The thermal stability up to 1400 °C of the amorphous state achieved for the ternary Si-O-N was further studied by chemical composition analysis, as well as X-ray photoelectron spectroscopy (XPS) and 29Si-NMR spectroscopic analyses, and the results were discussed aiming to develop a novel polymeric precursor for ternary amorphous Si–O–N ceramics with an enhanced thermal stability. PMID:29206217

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.

X-ray Absorption Spectroscopic and Theoretical Studies on (L)2[Cu2(S2)n]2+ Complexes: Disulfide Versus Disulfide(•1−) Bonding

PubMed Central

Sarangi, Ritimukta; York, John T.; Helton, Matthew E.; Fujisawa, Kiyoshi; Karlin, Kenneth D.; Tolman, William B.; Hodgson, Keith O.; Hedman, Britt; Solomon, Edward I.

2008-01-01

Cu K-, L- and S K-edge X-ray absorption spectroscopic (XAS) data have been combined with density functional theory (DFT) calculations on [{(TMPA)Cu}2S2](ClO4)2 (1), [{Cu[HB(3,5-Pri2pz)3]}2(S2)] (2) and [{(TMEDA)Cu}2(S2)2](OTf)2 (3) to obtain a quantitative description of their ground state wavefunctions. The Cu L-edge intensities give 63% and 37% Cu d-character in the ground state of 1 and 2, respectively while the S K-pre-edge intensities reflect 20% and 48% S character in their ground states. These data indicate a more than two-fold increase in the total disulfide bonding character in 2 relative to 1. The increase in the number of Cu-S bonds in 2 (µ-η2:η2 S22− bridge) compared to 1 ((µ-η1:η1 S22− bridge), dominantly determines the large increase in covalency and Cu-disulfide bond strength in 2. Cu K- and L- and S K-pre-edge energy positions directly demonstrate the CuII/(S2−)2 nature of 3. The two disulfide(•1−)’s in 3 undergo strong bonding interactions which destabilize the resultant filled antibonding π* orbitals of the (S2−)2 fragment relative to the Cu 3d levels. This leads to an inverted bonding scheme in 3 with dominantly ligand based holes in its ground state, consistent with its description as a dicopper(II)-bis-disulfide(•1−) complex. PMID:18076173

Probing the microscopic hydrophobicity of smectite surfaces. A vibrational spectroscopic study of dibenzo-p-dioxin sorption to smectite.

PubMed

Rana, Kiran; Boyd, Stephen A; Teppen, Brian J; Li, Hui; Liu, Cun; Johnston, Cliff T

2009-04-28

The interaction of dibenzo-p-dioxin (DD), from aqueous suspension, with smectite was investigated using in situ vibrational spectroscopy (FTIR and Raman), structural and batch sorption techniques. Batch sorption isotherms were integrated with in situ attenuated total reflectance (ATR)-FTIR and Raman spectroscopy and X-ray diffraction. Sorption isotherms revealed that the affinity of DD for smectite in aqueous suspension was strongly influenced both by the type of smectite and by the nature of the exchangeable cation. Cs-saponite showed a much higher affinity over Rb-, K- and Na-exchange saponites. In addition, DD sorption was found to depend on clay type with DD showing a high affinity for the tetrahedrally substituted trioctahedral saponite over SWy-2 and Upton montmorillonites. A structural model is introduced to account for the influence of clay type. Raman and FTIR data provided complementary molecular-level insight into the sorption mechanisms. In the case of Cs-saponite, the selection rules of DD based on D(2h) symmetry were broken indicating a site-specific interaction between DD and intercalated Cs(+) ions in the interlayer of the clay. Polarized in situ ATR-FTIR spectra revealed that the molecular plane of sorbed DD was tilted with respect to the clay surface which was consistent with a d-spacing of 1.49 nm. Finally, cation-induced changes in both the skeletal ring vibrations and the asymmetric C-O-C stretching vibrations provided evidence for site specific interactions between the DD and exchangeable cations in the clay interlayer. Together, the combined macroscopic and spectroscopic data show a surprising link between a hydrophilic material and a planar hydrophobic aromatic hydrocarbon.

NUSTAR and Suzaku x-ray spectroscopy of NGC 4151: Evidence for reflection from the inner accretion disk

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

Keck, M. L.; Brenneman, L. W.; Ballantyne, D. R.

We present X-ray timing and spectral analyses of simultaneous 150 ks Nuclear Spectroscopic Telescope Array (NuSTAR) and Suzaku X-ray observations of the Seyfert 1.5 galaxy NGC 4151. We disentangle the continuum emission, absorption, and reflection properties of the active galactic nucleus (AGN) by applying inner accretion disk reflection and absorption-dominated models. With a time-averaged spectral analysis, we find strong evidence for relativistic reflection from the inner accretion disk. We find that relativistic emission arises from a highly ionized inner accretion disk with a steep emissivity profile, which suggests an intense, compact illuminating source. We find a preliminary, near-maximal black hole spinmore » $$a\\gt 0.9$$ accounting for statistical and systematic modeling errors. We find a relatively moderate reflection fraction with respect to predictions for the lamp post geometry, in which the illuminating corona is modeled as a point source. Through a time-resolved spectral analysis, we find that modest coronal and inner disk reflection (IDR) flux variation drives the spectral variability during the observations. We discuss various physical scenarios for the IDR model and we find that a compact corona is consistent with the observed features.« less

NuSTAR and Suzaku X-ray Spectroscopy of NGC 4151: Evidence for Reflection from the Inner Accretion Disk

NASA Astrophysics Data System (ADS)

Keck, M. L.; Brenneman, L. W.; Ballantyne, D. R.; Bauer, F.; Boggs, S. E.; Christensen, F. E.; Craig, W. W.; Dauser, T.; Elvis, M.; Fabian, A. C.; Fuerst, F.; García, J.; Grefenstette, B. W.; Hailey, C. J.; Harrison, F. A.; Madejski, G.; Marinucci, A.; Matt, G.; Reynolds, C. S.; Stern, D.; Walton, D. J.; Zoghbi, A.

2015-06-01

We present X-ray timing and spectral analyses of simultaneous 150 ks Nuclear Spectroscopic Telescope Array (NuSTAR) and Suzaku X-ray observations of the Seyfert 1.5 galaxy NGC 4151. We disentangle the continuum emission, absorption, and reflection properties of the active galactic nucleus (AGN) by applying inner accretion disk reflection and absorption-dominated models. With a time-averaged spectral analysis, we find strong evidence for relativistic reflection from the inner accretion disk. We find that relativistic emission arises from a highly ionized inner accretion disk with a steep emissivity profile, which suggests an intense, compact illuminating source. We find a preliminary, near-maximal black hole spin a\\gt 0.9 accounting for statistical and systematic modeling errors. We find a relatively moderate reflection fraction with respect to predictions for the lamp post geometry, in which the illuminating corona is modeled as a point source. Through a time-resolved spectral analysis, we find that modest coronal and inner disk reflection (IDR) flux variation drives the spectral variability during the observations. We discuss various physical scenarios for the IDR model and we find that a compact corona is consistent with the observed features.

Scattering and polarization properties of the scarab beetle Cyphochilus insulanus cuticle.

PubMed

Åkerlind, Christina; Arwin, Hans; Hallberg, Tomas; Landin, Jan; Gustafsson, Johan; Kariis, Hans; Järrendahl, Kenneth

2015-07-01

Optical properties of natural photonic structures can inspire material developments in diversified areas, such as the spectral design of surfaces for camouflage. Here, reflectance, scattering, and polarization properties of the cuticle of the scarab beetle Cyphochilus insulanus are studied with spectral directional hemispherical reflectance, bidirectional reflection distribution function (BRDF) measurements, and Mueller-matrix spectroscopic ellipsometry (MMSE). At normal incidence, a reflectance (0.6-0.75) is found in the spectral range of 400-1600 nm and a weaker reflectance <0.2 in the UV range as well as for wavelengths >1600  nm. A whiteness of W=42 is observed for mainly the elytra of the beetle. Chitin is a major constituent of the insect cuticle which is verified by the close similarity of the measured IR spectrum to that of α-chitin. The BRDF signal shows close-to-Lambertian properties of the beetle for visible light at small angles of incidence. From the MMSE measurement it is found that the beetles appear as dielectric reflectors reflecting linearly polarized light at oblique incidence with low gloss and a low degree of polarization. The measured beetle properties are properties that can be beneficial in a camouflage material.

Planck intermediate results: XXXVI. Optical identification and redshifts of Planck SZ sources with telescopes at the Canary Islands observatories

DOE PAGES

Ade, P. A. R.; Aghanim, N.; Arnaud, M.; ...

2016-02-09

In this paper, we present the results of approximately three years of observations of Planck Sunyaev-Zeldovich (SZ) sources with telescopes at the Canary Islands observatories as part of the general optical follow-up programme undertaken by the Planck Collaboration. In total, 78 SZ sources are discussed. Deep-imaging observations were obtained for most of these sources; spectroscopic observations in either in long-slit or multi-object modes were obtained for many. We effectively used 37.5 clear nights. We found optical counterparts for 73 of the 78 candidates. This sample includes 53 spectroscopic redshift determinations, 20 of them obtained with a multi-object spectroscopic mode. Finally,more » the sample contains new redshifts for 27 Planck clusters that were not included in the first Planck SZ source catalogue (PSZ1).« less

Spectroscopic ellipsometry study of Cu2ZnSnS4 bulk poly-crystals

NASA Astrophysics Data System (ADS)

Levcenko, S.; Hajdeu-Chicarosh, E.; Garcia-Llamas, E.; Caballero, R.; Serna, R.; Bodnar, I. V.; Victorov, I. A.; Guc, M.; Merino, J. M.; Pérez-Rodriguez, A.; Arushanov, E.; León, M.

2018-04-01

The linear optical properties of Cu2ZnSnS4 bulk poly-crystals have been investigated using spectroscopic ellipsometry in the range of 1.2-4.6 eV at room temperature. The characteristic features identified in the optical spectra are explained by using the Adachi analytical model for the interband transitions at the corresponding critical points in the Brillouin zone. The experimental data have been modeled over the entire spectral range taking into account the lowest E0 transition near the fundamental absorption edge and E1A and E1B higher energy interband transitions. In addition, the spectral dependences of the refractive index, extinction coefficient, absorption coefficient, and normal-incidence reflectivity values have been accurately determined and are provided since they are essential data for the design of Cu2ZnSnS4 based optoelectronic devices.

Laser spectroscopic probing of coexisting superfluid and insulating states of an atomic Bose–Hubbard system

PubMed Central

Kato, Shinya; Inaba, Kensuke; Sugawa, Seiji; Shibata, Kosuke; Yamamoto, Ryuta; Yamashita, Makoto; Takahashi, Yoshiro

2016-01-01

A system of ultracold atoms in an optical lattice has been regarded as an ideal quantum simulator for a Hubbard model with extremely high controllability of the system parameters. While making use of the controllability, a comprehensive measurement across the weakly to strongly interacting regimes in the Hubbard model to discuss the quantum many-body state is still limited. Here we observe a great change in the excitation energy spectra across the two regimes in an atomic Bose–Hubbard system by using a spectroscopic technique, which can resolve the site occupancy in the lattice. By quantitatively comparing the observed spectra and numerical simulations based on sum rule relations and a binary fluid treatment under a finite temperature Gutzwiller approximation, we show that the spectra reflect the coexistence of a delocalized superfluid state and a localized insulating state across the two regimes. PMID:27094083

Non-invasive spectroscopic techniques in the diagnosis of non-melanoma skin cancer

NASA Astrophysics Data System (ADS)

Drakaki, E.; Sianoudis, IA; Zois, EN; Makropoulou, M.; Serafetinides, AA; Dessinioti, C.; Stefanaki, E.; Stratigos, AJ; Antoniou, C.; Katsambas, A.; Christofidou, E.

2017-11-01

The number of non-melanoma skin cancers is increasing worldwide and has become an important health and economic issue. Early detection and treatment of skin cancer can significantly improve patient outcome. Therefore there is an increase in the demand for proper management and effective non-invasive diagnostic modalities in order to avoid relapses or unnecessary treatments. Although the gold standard of diagnosis for non-melanoma skin cancers is biopsy followed by histopathology evaluation, optical non-invasive diagnostic tools have obtained increased attention. Emerging non-invasive or minimal invasive techniques with possible application in the diagnosis of non-melanoma skin cancers include high-definition optical coherence tomography, fluorescence spectroscopy, oblique incidence diffuse reflectance spectrometry among others spectroscopic techniques. Our findings establish how those spectrometric techniques can be used to more rapidly and easily diagnose skin cancer in an accurate and automated manner in the clinic.

Molecular structure, chemical reactivity, nonlinear optical activity and vibrational spectroscopic studies on 6-(4-n-heptyloxybenzyoloxy)-2-hydroxybenzylidene)amino)-2H-chromen-2-one: A combined density functional theory and experimental approach

NASA Astrophysics Data System (ADS)

Pegu, David; Deb, Jyotirmoy; Saha, Sandip Kumar; Paul, Manoj Kumar; Sarkar, Utpal

2018-05-01

In this work, we have synthesized new coumarin Schiff base molecule, viz., 6-(4-n-heptyloxybenzyoloxy)-2-hydroxybenzylidene)amino)-2H-chromen-2-one and characterized its structural, electronic and spectroscopic properties experimentally and theoretically. The theoretical analysis of UV-visible absorption spectra reflects a red shift in the absorption maximum in comparison to the experimental results. Most of the vibrational assignments of infrared and Raman spectra predicted using density functional theory approach match well with the experimental findings. Further, the chemical reactivity analysis confirms that solvent highly affects the reactivity of the studied compound. The large hyperpolarizability value of the compound concludes that the system exhibits significant nonlinear optical features and thus, points out their possibility in designing material with high nonlinear activity.

Electronic Terahertz Spectroscopic Imaging of Explosives and Weapons

DTIC Science & Technology

2005-08-01

as broadband, standoff sensors will be enabled by the benefits gained from new antennas and optical arrangements. Off-axis parabolol I mirrors S...bacterial spore samples, first using 33-85 mg masses on a highly-reflective mirrored surface (Figures 2-3), then using < 10 ptg masses on optical micropillars...this term None this term Ph.D. Alexander Kozyrev Post-doctoral researcher None this term None this term Ph.D. Charles Paulson Post-doctoral researcher

Type Ia supernova rate studies from the SDSS-II Supernova Study

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

Dilday, Benjamin

2008-08-01

The author presents new measurements of the type Ia SN rate from the SDSS-II Supernova Survey. The SDSS-II Supernova Survey was carried out during the Fall months (Sept.-Nov.) of 2005-2007 and discovered ~ 500 spectroscopically confirmed SNe Ia with densely sampled (once every ~ 4 days), multi-color light curves. Additionally, the SDSS-II Supernova Survey has discovered several hundred SNe Ia candidates with well-measured light curves, but without spectroscopic confirmation of type. This total, achieved in 9 months of observing, represents ~ 15-20% of the total SNe Ia discovered worldwide since 1885. The author describes some technical details of the SNmore » Survey observations and SN search algorithms that contributed to the extremely high-yield of discovered SNe and that are important as context for the SDSS-II Supernova Survey SN Ia rate measurements.« less

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.

Autofluorescence spectroscopy for multimodal tissues characterization in colitis-associated cancer murine model

NASA Astrophysics Data System (ADS)

Dorez, Hugo; Sablong, Raphaël.; Canaple, Laurence; Saint-Jalmes, Hervé; Gaillard, Sophie; Moussata, Driffa; Beuf, Olivier

2015-07-01

The purpose of this research project is to assess mice colon wall, using three optical modalities (conventional endoscopy, confocal endomicroscopy and optical spectroscopy) and endoluminal MRI. The study is done in the context of inflammatory bowel disease and colorectal cancer that represent 13% of new cases of cancer, every year in western countries. An optical spectroscopic bench (autofluorescence and reflectance) was developed with a flexible fiber probe. This latter has been combined with a mini multi-purpose rigid endoscope and a confocal endomicroscope. The optical modalities were first used in vivo on SWISS mice. Then, a specific optical a phantom (containing two layers of distinct fluorophores) was developed in order to evaluate our two-channel spectroscopic probe as a basic depth-sensitive measurement tool. The preliminary results show the feasibility to combine such modalities in the same in vivo protocol. Conventional endoscopy is useful to depict inflammation along colon wall. Confocal endomicroscopy provides high-contrasted images of microvascularization. Measured optical spectra both depend on biochemical tissue content and layered structure of the medium. The light collected from one channel is not similar to the other, in terms of intensity and spectroscopic profile as the interaction with the medium observed volume is different. A comparative analysis of the spectra based on our in vitro model exhibits a strong correlation between simple index extracted from spectral data and two main phantom characteristics (fluorophore concentrations and superficial layer thickness). This work suggests that this technique could contribute to assess tissues alterations through autofluorescence spectroscopic measurement under endoscopy.

Search for a Possible Chalcophile Chemical Component in Io's Color and Spectral Reflectance

NASA Astrophysics Data System (ADS)

Kargel, Jeffrey S.; Nash, Douglas B.

1996-09-01

Galileo images of Io show red, orange, brown, tan, yellow, green, white, and black regions. Color changes reported on Io represent a redistribution of surface materials and are related to Io's dynamic geologic and geochemical processes. Most Ionian colors and spectral features are attributable to a heterogeneous cover of quenched forms of pure elemental sulfur and sulfur dioxide frost perhaps with sodium pentasulfide and polysulfur oxides. However, the olive greens and greenish tans of some areas require something additional. S-associated elements abundant in meteorites and comets (e.g., percentage amounts of C, P, and Cl as CS2, P4S10, and SCl2, and smaller traces of As, Se, and others), could be important impurities on Io. These elements follow S in many terrestrial materials, such as the metallic core, massive sulfide deposits, carbonatite lavas, evaporite salts, and hydrothermal sublimates; it is doubtful that Io's sulfurous crust would somehow have excluded or lost all of these elements. Chalcophile impurities, acting through modifications of sulfur polymer chain structures, could have important effects on spectroscopic reflectance, sulfur volcanic flow rheology, subsurface flow of molten sulfur in magmatic plumbing, and crustal tectonics. We have started collection and analysis of native sulfur and related minerals obtained from diverse terrestrial environments and are analyzing these substances (particularly materials whose colors resemble Io's) for major and trace elements and reflectance from 0.23 to 23 microns. We will investigate whether expected correlations of chemical and spectroscopic parameters of these substances might explain some Io observations. Acknowledgements. JSK thanks P. Delmelle and C. Oppenheimer for donating samples for this study, and R.A. Hutchinson and the National Park Service for facilitating the collection of sulfur samples from Yellowstone National Park.

Frustrated Total Internal Reflection: A Simple Application and Demonstration.

ERIC Educational Resources Information Center

Zanella, F. P.; Magalhaes, D. V.; Oliveira, M. M.; Bianchi, R. F.; Misoguti, L.; Mendonca, C. R.

2003-01-01

Describes the total internal reflection process that occurs when the internal angle of incidence is equal to or greater than the critical angle. Presents a demonstration of the effect of frustrated total internal reflection (FTIR). (YDS)

Real-time broadband terahertz spectroscopic imaging by using a high-sensitivity terahertz camera

NASA Astrophysics Data System (ADS)

Kanda, Natsuki; Konishi, Kuniaki; Nemoto, Natsuki; Midorikawa, Katsumi; Kuwata-Gonokami, Makoto

2017-02-01

Terahertz (THz) imaging has a strong potential for applications because many molecules have fingerprint spectra in this frequency region. Spectroscopic imaging in the THz region is a promising technique to fully exploit this characteristic. However, the performance of conventional techniques is restricted by the requirement of multidimensional scanning, which implies an image data acquisition time of several minutes. In this study, we propose and demonstrate a novel broadband THz spectroscopic imaging method that enables real-time image acquisition using a high-sensitivity THz camera. By exploiting the two-dimensionality of the detector, a broadband multi-channel spectrometer near 1 THz was constructed with a reflection type diffraction grating and a high-power THz source. To demonstrate the advantages of the developed technique, we performed molecule-specific imaging and high-speed acquisition of two-dimensional (2D) images. Two different sugar molecules (lactose and D-fructose) were identified with fingerprint spectra, and their distributions in one-dimensional space were obtained at a fast video rate (15 frames per second). Combined with the one-dimensional (1D) mechanical scanning of the sample, two-dimensional molecule-specific images can be obtained only in a few seconds. Our method can be applied in various important fields such as security and biomedicine.

Synthesis, spectroscopic, thermal and antimicrobial investigations of charge-transfer complexes formed from the drug procaine hydrochloride with quinol, picric acid and TCNQ

NASA Astrophysics Data System (ADS)

Adam, Abdel Majid A.

2012-12-01

Intermolecular charge-transfer or proton-transfer complexes between the drug procaine hydrochloride (PC-HCl) as a donor and quinol (QL), picric acid (PA) or 7,7',8,8'-tetracyanoquinodimethane (TCNQ) as a π-acceptor have been synthesized and spectroscopically studied in methanol at room temperature. Based on elemental analyses and photometric titrations, the stoichiometry of the complexes (donor:acceptor molar ratios) was determined to be 1:1 for all three complexes. The formation constant (KCT), molar extinction coefficient (ɛCT) and other spectroscopic data have been determined using the Benesi-Hildebrand method and its modifications. The newly synthesized CT complexes have been characterized via elemental analysis, IR, Raman, 1H NMR, and electronic absorption spectroscopy. The morphological features of these complexes were investigated using scanning electron microscopy (SEM), and the sharp, well-defined Bragg reflections at specific 2θ angles have been identified from the powder X-ray diffraction patterns. Thermogravimetric analyses (TGAs) and kinetic thermodynamic parameters were also used to investigate the thermal stability of the synthesized solid CT complexes. Finally, the CT complexes were screened for their antibacterial and antifungal activities against various bacterial and fungal strains, and only the complex obtained using picric acid exhibited moderate antibacterial activity against all of the tested strains.

Transcutaneous analyte measuring method (TAMM): a reflective, noninvasive, near-infrared blood chemistry analyzer

NASA Astrophysics Data System (ADS)

Schlager, Kenneth J.; Ruchti, Timothy L.

1995-04-01

TAMM for Transcutaneous Analyte Measuring Method is a near infrared spectroscopic technique for the noninvasive measurement of human blood chemistry. A near infrared indium gallium arsenide (InGaAs) photodiode array spectrometer has been developed and tested on over 1,000 patients as a part of an SBIR program sponsored by the Naval Medical Research and Development Command. Nine (9) blood analytes have been measured and evaluated during pre-clinical testing: sodium, chloride, calcium, potassium, bicarbonate, BUN, glucose, hematocrit and hemoglobin. A reflective rather than a transmissive invasive approach to measurement has been taken to avoid variations resulting from skin color and sensor positioning. The current status of the instrumentation, neural network pattern recognition algorithms and test results will be discussed.

Faraday-Active Fabry-Perot Resonator: Transmission, Reflection, and Emissivity

NASA Technical Reports Server (NTRS)

Liptuga, Anatoliy; Morozhenko, Vasyl; Pipa, Viktor; Venger, Evgen; Kostiuk, Theodor

2011-01-01

The propagation of light within a semiconductor Faraday-active Fabry-Perot resonator (FAFR) is investigated theoretically and experimentally. It is shown that an external magnetic field radically changes the angular and spectral characteristics of transmission, reflection and emissivity of the resonator not only for polarized, but also for unpolarized light. Suppression of interference patterns and phase inversion of the interference extrema were observed in both monochromatic and polychromatic light. The investigations were carried out for the plane-parallel plates of n-InAs in the spectral range of free charge carrier absorption. The results can be used to create new controllable optical and spectroscopic devices for investigation of Faraday-active material properties and for control of parameters of plane-parallel layers and structures.

Integrated Spectroscopic Studies of Hydrous Sulfate Minerals

NASA Technical Reports Server (NTRS)

Dyar, M. D.; Lane, M. D.; Bishop, J. L.; OConnor, V.; Cloutis, E.; Hiroi, T.

2005-01-01

Sulfate minerals have been identified in Martian meteorites and on Mars using a suite of instruments aboard the MER rovers. These results have confirmed previous groundbased observations and orbital measurements that suggested their presence. The orbiting OMEGA instrument on Mars Express is also finding evidence for sulfate. In order to better interpret remote-sensing data, we present here the results of a coordinated visible/near infrared (VNIR) reflectance, Moussbauer (MB), and thermal emittance study of wellcharacterized hydrous sulfate minerals.

Spectroscopic determination of ecologically relevant plant secondary metabolites

DOE PAGES

Couture, John J.; Singh, Aditya; Rubert-Nason, Kennedy F.; ...

2016-07-23

Spectroscopy has recently emerged as an effective method to accurately characterize leaf biochemistry in living tissue through the application of chemometric approaches to foliar optical data, but this approach has not been widely used for plant secondary metabolites. Here in this paper, we examine the ability of reflectance spectroscopy to quantify specific phenolic compounds in trembling aspen (Populus tremuloides) and paper birch (Betula papyrifera) that play influential roles in ecosystem functioning related to trophic-level interactions and nutrient cycling.

The dielectric properties of La(Mg0.5Ti0.5)O3 ceramics studied by Raman-scattering, infrared reflectivity spectroscopy, and first-principles calculations.

PubMed

Liu, Hsiang-Lin; Hsueh, Hung-Chung; Lin, I-Nan; Yang, Ming-Ti; Lee, Wei-Chung; Chen, Yi-Chun; Chia, Chia-Ta; Cheng, Hsiu-Fung

2011-06-08

La(Mg(0.5)Ti(0.5))O(3) (LMT) ceramics were prepared by either the solid-state reaction (LMT)(SS) or the citric-acid chemical method (LMT)(CA). A combination of Raman scattering, infrared reflectivity, and first-principles calculations was carried out to elucidate the correlation between lattice dynamics and the dielectric properties of these materials. Twelve Raman-active phonons are observed in both samples, displaying similar frequency positions. Interestingly, the A(g) phonon (g(11) mode) of (LMT)(SS) at about 717 cm(-1) involving the oxygen octahedron breathing vibrations demonstrates a narrower linewidth, suggesting its better crystallinity. Furthermore, an infrared-active u(2) phonon band due to the vibrations of O(I) and O(II) layers, which possesses the largest oscillator strength, exhibits stronger intensity for (LMT)(SS), as compared with those for (LMT)(CA). Additionally, the Q × f values (the product of dielectric Q values and measurement frequency) of (LMT)(SS) estimated from either microwave cavity or infrared spectroscopic measurements are larger than those of (LMT)(CA). These results indicate that the better coherence of lattice vibrations in (LMT)(SS) leads to its higher Q × f value, providing evidence for a strong connection between optical spectroscopic behavior and microwave dielectric characteristics in these materials.

Capturing latent fingerprints from metallic painted surfaces using UV-VIS spectroscope

NASA Astrophysics Data System (ADS)

Makrushin, Andrey; Scheidat, Tobias; Vielhauer, Claus

2015-03-01

In digital crime scene forensics, contactless non-destructive detection and acquisition of latent fingerprints by means of optical devices such as a high-resolution digital camera, confocal microscope, or chromatic white-light sensor is the initial step prior to destructive chemical development. The applicability of an optical sensor to digitalize latent fingerprints primarily depends on reflection properties of a substrate. Metallic painted surfaces, for instance, pose a problem for conventional sensors which make use of visible light. Since metallic paint is a semi-transparent layer on top of the surface, visible light penetrates it and is reflected off of the metallic flakes randomly disposed in the paint. Fingerprint residues do not impede light beams making ridges invisible. Latent fingerprints can be revealed, however, using ultraviolet light which does not penetrate the paint. We apply a UV-VIS spectroscope that is capable of capturing images within the range from 163 to 844 nm using 2048 discrete levels. We empirically show that latent fingerprints left behind on metallic painted surfaces become clearly visible within the range from 205 to 385 nm. Our proposed streakiness score feature determining the proportion of a ridge-valley pattern in an image is applied for automatic assessment of a fingerprint's visibility and distinguishing between fingerprint and empty regions. The experiments are carried out with 100 fingerprint and 100 non-fingerprint samples.

Development and application of variable angle internal reflection Raman spectroscopy for vibrationally specific depth-profiling of polymer thin films

NASA Astrophysics Data System (ADS)

Fontaine, Norman Henry

1997-10-01

Techniques which can be used to obtain depth-resolved information on the thermodynamics at polymer-polymer and polymer-wall interfaces, and of small molecule diffusion in polymers, are of particular interest to industry. Optical methods which are sensitive to molecular vibrations (such as internal reflection Raman spectroscopy) are advantageous because they can non- destructively probe molecular content, orientation, and polarity of the local environment in a sample. However, while optical internal reflection depth-profiling methods have been reported, they have never progressed beyond the demonstration stage. In this work, the theory and methodology of internal reflection spectroscopy are developed and optimized into a rigorous field-controlled spectroscopic technique. A novel asymmetric internal reflection element (IRE) is introduced which traps back-reflections, allowing precise evanescent and standing wave probe-field control in the sample for all angles of incidence. It is demonstrated that a Gaussian laser beam will best approximate an infinite homogeneous plane wave when the IRE/sample interface lies in the paraxial-Fraunhofer region (far- field) of the beam path. Calibration methods are presented, sources of systematic errors are identified, and the angular resolution limit (ARL) is introduced as a measure of the field control developed in a sample by any internal reflection method. A general model of Raman scattering and photon detection from multi-layer thin films is developed. A new and generalized operator based transfer matrix method is developed and applied to electromagnetic field and diffusion computations in multi-layer systems. Total internal reflection spectroscopy is extended to include sub-critical angles of incidence, where resonant field enhancements generate large and selective amplification of the probe-field intensity within the layers of the sample. Fitting these resonances to the model spectral intensities allows unique determination of the location of buried interfaces in micron-sized polymer multi-layers with nanometer scale precision and the refractive indices of the layers with precision of /Delta n/approx/pm 0.0001. The Raman active molecular content of each optically distinct layer of the film is determinable simultaneously with the optical properties. Resonant mode VAIRRS studies of poly(methyl methacrylate) films spun-cast from toluene and then dried under ambient conditions have shown evidence for toluene diffusion concurrent with a rotationally hindered relaxation of oriented ester side groups about the polymer backbone. Low temperature annealing (≈87oC) has shown evidence that this hindered rotational relaxation may be reversible. VAIRRS study of a polystyrene/poly(methyl methacrylate) bi-layer has detected evidence for toluene diffusion across the buried polymer-polymer interface.

Time-resolved spectroscopic measurements behind incident and reflected shock waves in air and xenon

NASA Technical Reports Server (NTRS)

Yoshinaga, T.

1973-01-01

Time-resolved spectra have been obtained behind incident and reflected shock waves in air and xenon at initial pressures of 0.1 and 1.0 torr using a rotating drum spectrograph and the OSU (The Ohio State University) arc-driven shock tube. These spectra were used to determine the qualitative nature of the flow as well as for making estimates of the available test time. The (n+1,n) and (n,n) band spectra of N2(+) (1st negative) were observed in the test gas behind incident shock waves in air at p1=1.0 torr and Us=9-10 km/sec. Behind reflected shock waves in air, the continuum of spectra appeared to cover almost the entire wavelength of 2,500-7,000 A for the shock-heated test gas. For xenon, the spectra for the incident shock wave cases for p1=0.1 torr show an interesting structure in which two intensely bright regions are witnessed in the time direction. The spectra obtained behind reflected shock waves in xenon were also dominated by continuum radiation but included strong absorption spectra due to FeI and FeII from the moment the reflected shock passed and on.

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

Masiero, Joseph R.; Mainzer, A. K.; Nugent, C. R.

We present revised near-infrared albedo fits of 2835 main-belt asteroids observed by WISE/NEOWISE over the course of its fully cryogenic survey in 2010. These fits are derived from reflected-light near-infrared images taken simultaneously with thermal emission measurements, allowing for more accurate measurements of the near-infrared albedos than is possible for visible albedo measurements. Because our sample requires reflected light measurements, it undersamples small, low-albedo asteroids, as well as those with blue spectral slopes across the wavelengths investigated. We find that the main belt separates into three distinct groups of 6%, 16%, and 40% reflectance at 3.4 μm. Conversely, the 4.6more » μm albedo distribution spans the full range of possible values with no clear grouping. Asteroid families show a narrow distribution of 3.4 μm albedos within each family that map to one of the three observed groupings, with the (221) Eos family being the sole family associated with the 16% reflectance 3.4 μm albedo group. We show that near-infrared albedos derived from simultaneous thermal emission and reflected light measurements are important indicators of asteroid taxonomy and can identify interesting targets for spectroscopic follow-up.« less

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

Prisms with total internal reflection as solar reflectors

DOEpatents

Rabl, Arnulf; Rabl, Veronika

1978-01-01

An improved reflective wall for radiant energy collection and concentration devices is provided. The wall is comprised of a plurality of prisms whose frontal faces are adjacent and which reflect the desired radiation by total internal reflection.

NUSTAR and SUZAKU X-ray spectroscopy of NGC 4151: Evidence for reflection from the inner accretion disk

DOE PAGES

Keck, M. L.; Brenneman, L. W.; Ballantyne, D. R.; ...

2015-06-15

We present X-ray timing and spectral analyses of simultaneous 150 ks Nuclear Spectroscopic Telescope Array (NuSTAR) and Suzaku X-ray observations of the Seyfert 1.5 galaxy NGC 4151. We disentangle the continuum emission, absorption, and reflection properties of the active galactic nucleus (AGN) by applying inner accretion disk reflection and absorption-dominated models. With a time-averaged spectral analysis, we find strong evidence for relativistic reflection from the inner accretion disk. We find that relativistic emission arises from a highly ionized inner accretion disk with a steep emissivity profile, which suggests an intense, compact illuminating source. We find a preliminary, near-maximal black hole spinmore » $$a\\gt 0.9$$ accounting for statistical and systematic modeling errors. We find a relatively moderate reflection fraction with respect to predictions for the lamp post geometry, in which the illuminating corona is modeled as a point source. Through a time-resolved spectral analysis, we find that modest coronal and inner disk reflection (IDR) flux variation drives the spectral variability during the observations. As a result, we discuss various physical scenarios for the IDR model and we find that a compact corona is consistent with the observed features.« less

NUSTAR and SUZAKU X-ray spectroscopy of NGC 4151: Evidence for reflection from the inner accretion disk

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

Keck, M. L.; Brenneman, L. W.; Ballantyne, D. R.

We present X-ray timing and spectral analyses of simultaneous 150 ks Nuclear Spectroscopic Telescope Array (NuSTAR) and Suzaku X-ray observations of the Seyfert 1.5 galaxy NGC 4151. We disentangle the continuum emission, absorption, and reflection properties of the active galactic nucleus (AGN) by applying inner accretion disk reflection and absorption-dominated models. With a time-averaged spectral analysis, we find strong evidence for relativistic reflection from the inner accretion disk. We find that relativistic emission arises from a highly ionized inner accretion disk with a steep emissivity profile, which suggests an intense, compact illuminating source. We find a preliminary, near-maximal black hole spinmore » $$a\\gt 0.9$$ accounting for statistical and systematic modeling errors. We find a relatively moderate reflection fraction with respect to predictions for the lamp post geometry, in which the illuminating corona is modeled as a point source. Through a time-resolved spectral analysis, we find that modest coronal and inner disk reflection (IDR) flux variation drives the spectral variability during the observations. As a result, we discuss various physical scenarios for the IDR model and we find that a compact corona is consistent with the observed features.« less

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.

A quantitative study for determination of sugar concentration using attenuated total reflectance terahertz (ATR-THz) spectroscopy

NASA Astrophysics Data System (ADS)

Suhandy, Diding; Suzuki, Tetsuhito; Ogawa, Yuichi; Kondo, Naoshi; Ishihara, Takeshi; Takemoto, Yuichiro

2011-06-01

The objective of our research was to use ATR-THz spectroscopy together with chemometric for quantitative study in food analysis. Glucose, fructose and sucrose are main component of sugar both in fresh and processed fruits. The use of spectroscopic-based method for sugar determination is well reported especially using visible, near infrared (NIR) and middle infrared (MIR) spectroscopy. However, the use of terahertz spectroscopy for sugar determination in fruits has not yet been reported. In this work, a quantitative study for sugars determination using attenuated total reflectance terahertz (ATR-THz) spectroscopy was conducted. Each samples of glucose, fructose and sucrose solution with different concentrations were prepared respectively and their absorbance spectra between wavenumber 20 and 450 cm-1 (between 0.6 THz and 13.5 THz) were acquired using a terahertz-based Fourier Transform spectrometer (FARIS-1S, JASCO Co., Japan). This spectrometer was equipped with a high pressure of mercury lamp as light source and a pyroelectric sensor made from deuterated L-alanine triglycine sulfate (DLTGS) as detector. Each spectrum was acquired using 16 cm-1 of resolution and 200 scans for averaging. The spectra of water and sugar solutions were compared and discussed. The results showed that increasing sugar concentration caused decreasing absorbance. The correlation between sugar concentration and its spectra was investigated using multivariate analysis. Calibration models for glucose, fructose and sucrose determination were developed using partial least squares (PLS) regression. The calibration model was evaluated using some parameters such as coefficient of determination (R2), standard error of calibration (SEC), standard error of prediction (SEP), bias between actual and predicted sugar concentration value and ratio prediction to deviation (RPD) parameter. The cross validation method was used to validate each calibration model. It is showed that the use of ATR-THz spectroscopy combined with appropriate chemometric can be a potential for a rapid determination of sugar concentrations.

Adsorption of benzyldimethylhexadecylammonium chloride at the hydrophobic silica-water interface studied by total internal reflection Raman spectroscopy: effects of silica surface properties and metal salt addition.

PubMed

Grenoble, Zlata; Baldelli, Steven

2013-08-29

The adsorption of the cationic surfactant benzyldimethylhexadecylammonium (BDMHA(+)) chloride was studied at an octadecyltrichlorosilane (OTS)-monolayer-modified silica-water interface by Raman spectroscopy in total internal reflection (TIR) geometry. The present study demonstrates the capabilities of this spectroscopic technique to evaluate thermodynamic and kinetic BDMHA(+)Cl(-) adsorption properties at the hydrophobic silica surface. The surface coverage of BDMHA(+) decreased by 50% at the hydrophobic OTS-silica surface relative to the surface coverage on bare silica; the dominating driving mechanisms for surfactant adsorption were identified as hydrophobic effects and head group charge screening by the electrolyte counterions. Addition of magnesium metal salt (MgCl2) to the aqueous solution (∼ neutral pH) lowered the surface coverage and moderately increased the Langmuir adsorption constants relative to those of the pure surfactant. These trends were previously observed at the hydrophilic, negatively charged silica surface but with a smaller change in the Gibbs free energy of adsorption at the hydrophobic silica surface. The hydrophobic OTS-silica surface properties resulted in shorter times for the surfactant to reach steady-state adsorption conditions compared to the slow adsorption kinetics previously seen with the surfactant at the hydrophilic surface. Adsorption isotherms, based on Raman signal intensities from spectral analysis, were developed according to the Langmuir adsorption model for the pure surfactant at the OTS-silica-water interface; the modified Langmuir model was applied to the surfactant adsorption in the presence of 5, 10, 50, and 100 mM magnesium chloride. Spectral analysis of the Raman scattering intensities and geometric considerations suggests a hemimicelle-type surface aggregate as the most likely surfactant structure at the OTS-silica surface. The different kinetics observed at the hydrophilic versus the hydrophobic silica surface further indicate that the surface charge and potential influence the surfactant diffusion and kinetic rates of adsorption at the silica-water interface.

A glutamate is the essential proton transfer gate during the catalytic cycle of the [NiFe] hydrogenase.

PubMed

Dementin, Sébastien; Burlat, Bénédicte; De Lacey, Antonio L; Pardo, Alejandro; Adryanczyk-Perrier, Géraldine; Guigliarelli, Bruno; Fernandez, Victor M; Rousset, Marc

2004-03-12

Kinetic, EPR, and Fourier transform infrared spectroscopic analysis of Desulfovibrio fructosovorans [NiFe] hydrogenase mutants targeted to Glu-25 indicated that this amino acid participates in proton transfer between the active site and the protein surface during the catalytic cycle. Replacement of that glutamic residue by a glutamine did not modify the spectroscopic properties of the enzyme but cancelled the catalytic activity except the para-H(2)/ortho-H(2) conversion. This mutation impaired the fast proton transfer from the active site that allows high turnover numbers for the oxidation of hydrogen. Replacement of the glutamic residue by the shorter aspartic acid slowed down this proton transfer, causing a significant decrease of H(2) oxidation and hydrogen isotope exchange activities, but did not change the para-H(2)/ortho-H(2) conversion activity. The spectroscopic properties of this mutant were totally different, especially in the reduced state in which a non-photosensitive nickel EPR spectrum was obtained.

Isolation, characterization, spectroscopic properties and quantum chemical computations of an important phytoalexin resveratrol as antioxidant component from Vitis labrusca L. and their chemical compositions.

PubMed

Güder, Aytaç; Korkmaz, Halil; Gökce, Halil; Alpaslan, Yelda Bingöl; Alpaslan, Gökhan

2014-12-10

In this study, isolation and characterization of trans-resveratrol (RES) as an antioxidant compound were carried out from VLE, VLG and VLS. Furthermore, antioxidant activities were evaluated by using six different methods. Finally, total phenolic, flavonoid, ascorbic acid, anthocyanin, lycopene, β-carotene and vitamin E contents were carried out. In addition, the FT-IR, (13)C and (1)H NMR chemical shifts and UV-vis. spectra of trans-resveratrol were experimentally recorded. Quantum chemical computations such as the molecular geometry, vibrational frequencies, UV-vis. spectroscopic parameters, HOMOs-LUMOs energies, molecular electrostatic potential (MEP), natural bond orbitals (NBO) and nonlinear optics (NLO) properties of title molecule have been calculated by using DFT/B3PW91 method with 6-311++G(d,p) basis set in ground state for the first time. The obtained results show that the calculated spectroscopic data are in a good agreement with experimental data. Copyright © 2014 Elsevier B.V. All rights reserved.

Isolation, characterization, spectroscopic properties and quantum chemical computations of an important phytoalexin resveratrol as antioxidant component from Vitis labrusca L. and their chemical compositions

NASA Astrophysics Data System (ADS)

Güder, Aytaç; Korkmaz, Halil; Gökce, Halil; Alpaslan, Yelda Bingöl; Alpaslan, Gökhan

2014-12-01

In this study, isolation and characterization of trans-resveratrol (RES) as an antioxidant compound were carried out from VLE, VLG and VLS. Furthermore, antioxidant activities were evaluated by using six different methods. Finally, total phenolic, flavonoid, ascorbic acid, anthocyanin, lycopene, β-carotene and vitamin E contents were carried out. In addition, the FT-IR, 13C and 1H NMR chemical shifts and UV-vis. spectra of trans-resveratrol were experimentally recorded. Quantum chemical computations such as the molecular geometry, vibrational frequencies, UV-vis. spectroscopic parameters, HOMOs-LUMOs energies, molecular electrostatic potential (MEP), natural bond orbitals (NBO) and nonlinear optics (NLO) properties of title molecule have been calculated by using DFT/B3PW91 method with 6-311++G(d,p) basis set in ground state for the first time. The obtained results show that the calculated spectroscopic data are in a good agreement with experimental data.

The calibration of photographic and spectroscopic films: 1: A microscopic analysis of IIaO films. 2: The effects of agitation and soaking on IIaO films. 3: The effects of electric field on IIaO films. 4: The effects of X-ray radiation on IIaO films

NASA Technical Reports Server (NTRS)

Hammond, E. C., Jr.; Peters, K.; Boone, K.

1978-01-01

The grain structure of the emulsion using both reflected and transmission light was examined along with the effects of soaking. The effect of a static charge by a Tesla-coil, and the effects of airport equipment, and dental X-rays on the film were also analyzed.

Experimental validation of a millimeter wave radar technique to remotely sense atmospheric pressure at the Earth's surface

NASA Technical Reports Server (NTRS)

Flower, D. A.; Peckham, G. E.; Bradford, W. J.

1984-01-01

Experiments with a millimeter wave radar operating on the NASA CV-990 aircraft which validate the technique for remotely sensing atmospheric pressure at the Earth's surface are described. Measurements show that the precise millimeter wave observations needed to deduce pressure from space with an accuracy of 1 mb are possible, that sea surface reflection properties agree with theory and that the measured variation of differential absorption with altitude corresponds to that expected from spectroscopic models.

The Orbiting Carbon Observatory Mission: Watching the Earth Breathe Mapping CO2 from Space

NASA Technical Reports Server (NTRS)

Boain, Ron

2007-01-01

Approach: Collect spatially resolved, high resolution spectroscopic observations of CO2 and O2 absorption in reflected sunlight. Use these data to resolve spatial and temporal variations in the column averaged CO2 dry air mole fraction, X(sub CO2) over the sunlit hemisphere. Employ independent calibration and validation approaches to produce X(sub CO2) estimates with random errors and biases no larger than 1-2 ppm (0.3-0.5%) on regional scales at monthly intervals.

Search for volatiles on icy satellites. I. Europa

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

Brown, R.H.; Cruikshank, D.P.; Tokunaga, A.T.

1988-05-01

NASA IRTF reflectance spectra of unprecedented precision, obtained for the leading and trailing sides of Europa, are presently noted to no longer show the apparent absorptions seen in 1980 and 1985. It is presently suggested that if the weak absorptions seen in the 1980 and 1985 data are real, they may indicate the transient spectroscopic presence of a molecular component on Europa's trailing side that differs from the water ice known to be the dominant constituent of the surface. 33 references.

Multidisciplinary approach for the study of an Egyptian coffin (late 22nd/early 25th dynasty): combining imaging and spectroscopic techniques.

PubMed

Bracci, S; Caruso, O; Galeotti, M; Iannaccone, R; Magrini, D; Picchi, D; Pinna, D; Porcinai, S

2015-06-15

This paper demonstrates that an educated methodology based on both non-invasive and micro invasive techniques in a two-step approach is a powerful tool to characterize the materials and stratigraphies of an Egyptian coffin, which was restored several times. This coffin, belonging to a certain Mesiset, is now located at the Museo Civico Archeologico of Bologna (inventory number MCABo EG 1963). Scholars attributed it to the late 22nd/early 25th dynasty by stylistic comparison. The first step of the diagnostic approach applied imaging techniques on the whole surface in order to select measurements spots and to unveil both original and restored areas. Images and close microscopic examination of the polychrome surface allowed selecting representative areas to be investigated in situ by portable spectroscopic techniques: X-ray Fluorescence (XRF), Fiber Optic Reflectance Spectroscopy (FORS) and Fourier Transform Infrared spectroscopy (FTIR). After the analysis of the results coming from the first step, very few selected samples were taken to clarify the stratigraphy of the polychrome layers. The first step, based on the combination of imaging and spectroscopic techniques in a totally non-invasive modality, is quite unique in the literature on Egyptian coffins and enabled us to reveal many differences in the ground layer's composition and to identify a remarkable number of pigments in the original and restored areas. This work offered also a chance to check the limitations of the non-invasive approach applied on a complex case, namely the right localization of different materials in the stratigraphy and the identification of binding media. Indeed, to dissolve any remaining doubts on superimposed layers belonging to different interventions, it was necessary to sample few micro-fragments in some selected areas and analyze them prepared as cross-sections. The original ground layer is made of calcite, while the restored areas show the presence of either a mixture of calcite and silicates or a gypsum ground, overlapped by lead white. The original pigments were identified as orpiment, cinnabar and red clay, Egyptian blue and green copper based pigments. Some other pigments, such as white lead, Naples yellow, cerulean blue and azurite were only found in the restored areas. Copyright © 2015 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.

Phase-incoherent superconducting pairs in the normal state of Ba(Fe(1-x)Co(x))₂As₂.

PubMed

Sheet, Goutam; Mehta, Manan; Dikin, D A; Lee, S; Bark, C W; Jiang, J; Weiss, J D; Hellstrom, E E; Rzchowski, M S; Eom, C B; Chandrasekhar, V

2010-10-15

The normal state properties of the recently discovered ferropnictide superconductors might hold the key to understanding their exotic superconductivity. Using point-contact spectroscopy we show that Andreev reflection between an epitaxial thin film of Ba(Fe(0.92)Co(0.08))₂As₂ and a silver tip can be seen in the normal state of the film up to temperature T∼1.3T(c), where T(c) is the critical temperature of the superconductor. Andreev reflection far above T(c) can be understood only when superconducting pairs arising from strong fluctuation of the phase of the complex superconducting order parameter exist in the normal state. Our results provide spectroscopic evidence of phase-incoherent superconducting pairs in the normal state of the ferropnictide superconductors.

Is the four-day rotation of Venus illusory?. [includes systematic error in radial velocities of solar lines reflected from Venus

NASA Technical Reports Server (NTRS)

Young, A. T.

1974-01-01

An overlooked systematic error exists in the apparent radial velocities of solar lines reflected from regions of Venus near the terminator, owing to a combination of the finite angular size of the Sun and its large (2 km/sec) equatorial velocity of rotation. This error produces an apparent, but fictitious, retrograde component of planetary rotation, typically on the order of 40 meters/sec. Spectroscopic, photometric, and radiometric evidence against a 4-day atmospheric rotation is also reviewed. The bulk of the somewhat contradictory evidence seems to favor slow motions, on the order of 5 m/sec, in the atmosphere of Venus; the 4-day rotation may be due to a traveling wave-like disturbance, not bulk motions, driven by the UV albedo differences.

Design and fabrication of SiO2/TiO2 and MgO/TiO2 based high selective optical filters for diffuse reflectance and fluorescence signals extraction.

PubMed

Pimenta, S; Cardoso, S; Miranda, A; De Beule, P; Castanheira, E M S; Minas, G

2015-08-01

This paper presents the design, optimization and fabrication of 16 MgO/TiO2 and SiO2/TiO2 based high selective narrow bandpass optical filters. Their performance to extract diffuse reflectance and fluorescence signals from gastrointestinal tissue phantoms was successfully evaluated. The obtained results prove their feasibility to correctly extract those spectroscopic signals, through a Spearman's rank correlation test (Spearman's correlation coefficient higher than 0.981) performed between the original spectra and the ones obtained using those 16 fabricated optical filters. These results are an important step for the implementation of a miniaturized, low-cost and minimal invasive microsystem that could help in the detection of gastrointestinal dysplasia.

Tests of various colorants for application of a Fourier transform infrared imaging system to deciphering obliterated writings

NASA Astrophysics Data System (ADS)

Sugawara, Shigeru

2015-10-01

Obliterated writing is writing that has been obscured by different-colored materials. There are obliterated writings that cannot be detected by conventional methods. A method for deciphering such obliterated writings was developed in this study. Mid-infrared spectroscopic imaging in the wavelength range of 2.5-14 μm was used for deciphering because the infrared spectrum differs among different brands of colorants. Obliterated writings were made by pressing information protection stamps onto characters written by 4 kinds of colorants. The samples were tested for deciphering by the Fourier-transform infrared imaging system. Two peak areas of two specific wavenumber regions of each reflectance spectrum were calculated and the ratio of the two values is displayed as a unique gray scale in the spectroscopic image. As a result, the absorption peak at various wavenumbers could be used to decipher obliterated writings that could not be detected by the conventional methods. Ten different parameters for deciphering obliterated writing were found in this study.

Observational artifacts of Nuclear Spectroscopic Telescope Array: ghost rays and stray light

NASA Astrophysics Data System (ADS)

Madsen, Kristin K.; Christensen, Finn E.; Craig, William W.; Forster, Karl W.; Grefenstette, Brian W.; Harrison, Fiona A.; Miyasaka, Hiromasa; Rana, Vikram

2017-10-01

The Nuclear Spectroscopic Telescope Array (NuSTAR) launched in June 2012, flies two conical approximation Wolter-I mirrors at the end of a 10.15-m mast. The optics are coated with multilayers of Pt/C and W/Si that operate from 3 to 80 keV. Since the optical path is not shrouded, aperture stops are used to limit the field of view (FoV) from background and sources outside the FoV. However, there is still a sliver of sky (˜1.0 deg to 4.0 deg) where photons may bypass the optics altogether and fall directly on the detector array. We term these photons stray light. Additionally, there are also photons that do not undergo the focused double reflections in the optics, and we term these ghost rays. We present detailed analysis and characterization of these two components and discuss how they impact observations. Finally, we discuss how they could have been prevented and should be in future observatories.

Spectroscopic and structural investigation for the ground and excited states of CaNa+ molecular ion

NASA Astrophysics Data System (ADS)

Jellali, Soulef; Habli, Héla; Mejrissi, Leila; Hamdi, Rafika; Oujia, Brahim; Xavier Gadéa, Florent

2018-04-01

In the current theoretical study, we investigated several electronic states correlated with the {Ca+Na+} and {Ca++Na} asymptotic limits of different symmetries (Σ+, Π, Δ). Our calculations were based on ab intio method using semi-empirical pseudo-potential theory of both cores Na+ and Ca2+ and Full Configuration Interaction (FCI). Hence, we computed the adiabatic potential energy curves (PECs) and vibrational levels of the ground state along with several higher states of (CaNa)+ molecular ion. From these curves, we extracted all related spectroscopic parameters (De, D0, Te, Re, Be, ωe and ωeχe). Dipolar properties of (CaNa)+ such as Permanent and Transition Dipole Moments (PDM, TDM) were determined and analyzed. Numerous Avoided Crossings (ACs) were detected in PECs and their reflections were clearly observed in PDM and TDM functions. The strong interactions could lead to significant charge or excitation transfer for atom-ion collisions in the diverse charge or excited states.

Development of optical MEMS CO2 sensors

NASA Astrophysics Data System (ADS)

McNeal, Mark P.; Moelders, Nicholas; Pralle, Martin U.; Puscasu, Irina; Last, Lisa; Ho, William; Greenwald, Anton C.; Daly, James T.; Johnson, Edward A.; George, Thomas

2002-09-01

Inexpensive optical MEMS gas and chemical sensors offer chip-level solutions to environmental monitoring, industrial health and safety, indoor air quality, and automobile exhaust emissions monitoring. Previously, Ion Optics, Inc. reported on a new design concept exploiting Si-based suspended micro-bridge structures. The devices are fabricated using conventional CMOS compatible processes. The use of photonic bandgap (PBG) crystals enables narrow band IR emission for high chemical selectivity and sensitivity. Spectral tuning was accomplished by controlling symmetry and lattice spacing of the PBG structures. IR spectroscopic studies were used to characterize transmission, absorption and emission spectra in the 2 to 20 micrometers wavelength range. Prototype designs explored suspension architectures and filament geometries. Device characterization studies measured drive and emission power, temperature uniformity, and black body detectivity. Gas detection was achieved using non-dispersive infrared (NDIR) spectroscopic techniques, whereby target gas species were determined from comparison to referenced spectra. A sensor system employing the emitter/detector sensor-chip with gas cell and reflective optics is demonstrated and CO2 gas sensitivity limits are reported.

High resolution spectroscopic mapping imaging applied in situ to multilayer structures for stratigraphic identification of painted art objects

NASA Astrophysics Data System (ADS)

Karagiannis, Georgios Th.

2016-04-01

The development of non-destructive techniques is a reality in the field of conservation science. These techniques are usually not so accurate, as the analytical micro-sampling techniques, however, the proper development of soft-computing techniques can improve their accuracy. In this work, we propose a real-time fast acquisition spectroscopic mapping imaging system that operates from the ultraviolet to mid infrared (UV/Vis/nIR/mIR) area of the electromagnetic spectrum and it is supported by a set of soft-computing methods to identify the materials that exist in a stratigraphic structure of paint layers. Particularly, the system acquires spectra in diffuse-reflectance mode, scanning in a Region-Of-Interest (ROI), and having wavelength range from 200 up to 5000 nm. Also, a fuzzy c-means clustering algorithm, i.e., the particular soft-computing algorithm, produces the mapping images. The evaluation of the method was tested on a byzantine painted icon.

Near-infrared imaging spectroscopy for counterfeit drug detection

NASA Astrophysics Data System (ADS)

Arnold, Thomas; De Biasio, Martin; Leitner, Raimund

2011-06-01

Pharmaceutical counterfeiting is a significant issue in the healthcare community as well as for the pharmaceutical industry worldwide. The use of counterfeit medicines can result in treatment failure or even death. A rapid screening technique such as near infrared (NIR) spectroscopy could aid in the search for and identification of counterfeit drugs. This work presents a comparison of two laboratory NIR imaging systems and the chemometric analysis of the acquired spectroscopic image data. The first imaging system utilizes a NIR liquid crystal tuneable filter and is designed for the investigation of stationary objects. The second imaging system utilizes a NIR imaging spectrograph and is designed for the fast analysis of moving objects on a conveyor belt. Several drugs in form of tablets and capsules were analyzed. Spectral unmixing techniques were applied to the mixed reflectance spectra to identify constituent parts of the investigated drugs. The results show that NIR spectroscopic imaging can be used for contact-less detection and identification of a variety of counterfeit drugs.

Methane and water spectroscopic database for TROPOMI/Sentinel-5 Precursor in the 2.3 μm region

NASA Astrophysics Data System (ADS)

Birk, Manfred; Wagner, Georg; Loos, Joep; Wilzewski, Jonas; Mondelain, Didier; Campargue, Alain; Hase, Frank; Orphal, Johannes; Perrin, Agnes; Tran, Ha; Daumont, Ludovic; Rotger-Languereau, Maud; Bigazzi, Alberto; Zehner, Claus

2017-04-01

The ESA project „SEOM-Improved Atmospheric Spectroscopy Databases (IAS)" will improve the spectroscopic database for retrieval of the data products CO, CH4, O3 and SO2 column amounts measured by the TROPOMI instrument (TROPOspheric Monitoring Instrument) aboard the Sentinel-5 Precursor. The project was launched in February 2014 with 3 years duration extended to 4 years recently. The spectroscopy of CO, CH4 and O3 in the 2.3 μm region is covered first while UV measurements of SO2 and UV/FIR/IR measurements of ozone will be carried out later. Measurements were mainly taken with a high resolution Fourier Transform spectrometer combined with a coolable multi reflection cell. Cavity ring down measurements served for validation. The analysis has been completed. A clear improvement can be seen when using the new data for CH4, H2O and CO retrieval from ground-based high resolution solar occultation measurements obtained with instrumentation in the TCCON and NDACC network.

Spectroscopic investigations on oxidized multi-walled carbon nanotubes

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

Anandhi, C. M. S.; Premkumar, S.; Asath, R. Mohamed

2016-05-06

The pristine multi-walled carbon nanotubes (MWCNTs) were oxidized by the ultrasonication process. The oxidized MWCNTs were characterized by the X-ray diffraction (XRD), ultraviolet–visible (UV-Vis) and Fourier transform -Raman (FT-Raman) spectroscopic techniques. The XRD analysis confirms that the oxidized MWCNTs exist in a hexagonal structure and the sharp XRD peak corresponds to the (002) Bragg’s reflection plane, which indicates that the MWCNTs have higher crystalline nature. The UV-Vis analysis confirms that the MWCNTs functionalized with the carboxylic acid. The red shift was observed corresponds to the D band in the Raman spectrum, which reveals that the reduced disordered graphitic structure ofmore » oxidized MWCNTs. The strong Raman peak was observed at 2563 cm{sup -1} corresponds to the overtone of the D band, which is the characteristic vibrational mode of oxidized MWCNTs. The carboxylic acid functionalization of MWCNTs enhances the dispersibility, which paves the way for potential applications in the field of biosensors and targeted drug delivery.« less

Assessment of Oco-2 Target Mode Vulnerability Against Horizontal Variability of Surface Reflectivity Neglected in the Operational Forward Model

NASA Astrophysics Data System (ADS)

Davis, A. B.; Qu, Z.

2014-12-01

The main goal of NASA's OCO-2 mission is to perform XCO2 column measurements from space with an unprecedented (~1 ppm) precision and accuracy that will enable modelers to globally map CO2 sources and sinks. To achieve this goal, the mission is critically dependent on XCO2product validation that, in turn, is highly dependent on successful use of OCO-2's "target mode" data acquisition. In target mode, OCO-2 rotates in such a way that, as long as it is above the horizon, it looks at a Total Carbon Column Observing Network (TCCON) station equipped with a powerful Fourier Transform spectrometer. TCCON stations measure, among other things, XCO2by looking straight at the Sun. This translates to a far simpler forward model for TCCON than for OCO-2. In the ideal world, OCO-2's spectroscopic signals result from the cumulative gaseous absorption for one direct transmission of sunlight to the ground (like for TCCON), followed by one diffuse reflection, and one direct transmission to the instrument—at a variety of viewing angles in traget mode. In the real world, all manner of multiple surface reflections and/or scatterings contribute to the signal. See figure. In the idealized world of the OCO-2 operational forward model (used in nadir, glint and target modes), the horizontal variability of the scattering atmosphere and reflecting surface are ignored, leading to the adoption of a 1D vector radiative transfer (vRT) model. This is the source of forward model error that we are investigating, with a focus on target mode. In principle, atmospheric variability in the horizontal plane—largely due to clouds—can be avoided by careful screening. Also, it is straightforward to account for angular variability of the surface reflection model in the 1D vRT framework. But it is not clear how unavoidable horizontal variations of the surface reflectivity affects the OCO-2 signal, even if the reflection was isotropic (Lambertian). To characterize this OCO-2 "adjacency" effect, we use a simple surface variability model with a single spatial frequency in each direction, and a single albedo contrast at a time for realistic aerosol and gaseous profiles. This specific 3D RT error is compared with other documented forward model errors and translated into XCO2 error in ppm, for programatic consideration and eventual mitigation.

The spectroscopic observation of the CH radical in its a4Sigma(-) state

NASA Technical Reports Server (NTRS)

Nelis, Thomas; Brown, John M.; Evenson, Kenneth M.

1988-01-01

The first spectroscopic observation of CH in the a 4Sigma(0-) state are reported. The molecule was generated in a discharge-flow system in the reaction betweeen fluorine atoms and methane or between oxygen atoms and acetylene at a total pressure of about 1 Torr. Several resonances associated with the N = 1 - 0 transitions of 4Sigma(-) CH were observed at three separate laser wavelengths, while those for the N = 2 - 1 transition were observed at two wavelengths. Each observed Zeeman component consists of a well-split doublet arising from proton hyperfine structure. The reasons for assigning the observations to CH in its a 4Sigma(-) state are discussed.

Contamination control approach for the Extreme Ultraviolet Explorer satellite instrumentation

NASA Technical Reports Server (NTRS)

Mrowka, Stan; Jelinsky, Sharon; Jelinsky, Patrick; Malina, Roger F.

1987-01-01

The Extreme Ultraviolet Explorer will perform an all-sky survey and spectroscopic observations over the wavelength range 80-900A. Hydrocarbon and particulate contamination will potentially affect the throughput and signal to noise ratio of the signal detected by the instruments. A witness sample program is here used to investigate and monitor the effects of specific contaminants on EUV reflectivity. Witness samples were intentionally contaminated with thin layers of pump oil. An oil layer 150 A thick was applied and found to evaporate over 8 hours. The EUV reflectivity and imaging properties were then measured and found to be acceptable for grazing angles between 5 and 30 deg. In a second test, layers 500 A thick were deposited and then allowed to evaporate in vacuum; once the oil had evaporated to at least 350 A, the final sample reflectivity was degraded less than 10 percent, but the image was degraded severely by scattering. An outline of the contamination control program is also presented.

Deep and tapered silicon photonic crystals for achieving anti-reflection and enhanced absorption.

PubMed

Hung, Yung-Jr; Lee, San-Liang; Coldren, Larry A

2010-03-29

Tapered silicon photonic crystals (PhCs) with smooth sidewalls are realized using a novel single-step deep reactive ion etching. The PhCs can significantly reduce the surface reflection over the wavelength range between the ultra-violet and near-infrared regions. From the measurements using a spectrophotometer and an angle-variable spectroscopic ellipsometer, the sub-wavelength periodic structure can provide a broad and angular-independent antireflective window in the visible region for the TE-polarized light. The PhCs with tapered rods can further reduce the reflection due to a gradually changed effective index. On the other hand, strong optical resonances for TM-mode can be found in this structure, which is mainly due to the existence of full photonic bandgaps inside the material. Such resonance can enhance the optical absorption inside the silicon PhCs due to its increased optical paths. With the help of both antireflective and absorption-enhanced characteristics in this structure, the PhCs can be used for various applications.

NuSTAR AND Swift Observations of the Very High State in GX 339-4: Weighing the Black Hole With X-Rays

NASA Technical Reports Server (NTRS)

Parker, M. L.; Tomsick, J. A.; Kennea, J. A.; Miller, J. M.; Harrison, F. A.; Barret, D.; Boggs, S. E.; Christensen, F. E.; Craig, W. W.; Fabian, A. C.;

Removing interference-based effects from the infrared transflectance spectra of thin films on metallic substrates: a fast and wave optics conform solution.

PubMed

Mayerhöfer, Thomas G; Pahlow, Susanne; Hübner, Uwe; Popp, Jürgen

2018-06-25

A hybrid formalism combining elements from Kramers-Kronig based analyses and dispersion analysis was developed, which allows removing interference-based effects in the infrared spectra of layers on highly reflecting substrates. In order to enable a highly convenient application, the correction procedure is fully automatized and usually requires less than a minute with non-optimized software on a typical office PC. The formalism was tested with both synthetic and experimental spectra of poly(methyl methacrylate) on gold. The results confirmed the usefulness of the formalism: apparent peak ratios as well as the interference fringes in the original spectra were successfully corrected. Accordingly, the introduced formalism makes it possible to use inexpensive and robust highly reflecting substrates for routine infrared spectroscopic investigations of layers or films the thickness of which is limited by the imperative that reflectance absorbance must be smaller than about 1. For thicker films the formalism is still useful, but requires estimates for the optical constants.

Advances in spectroscopic methods for quantifying soil carbon

USDA-ARS?s Scientific Manuscript database

The gold standard for soil C determination is combustion. However, this method requires expensive consumables, is limited to the determination of the total carbon and in the number of samples which can be processed (~100/d). With increased interest in soil C sequestration, faster methods are needed....

Introducing cymantrene labels into scattering scanning near-field infrared microscopy.

PubMed

Kopf, Ilona; N'Dongo, Harmel W Peindy; Ballout, Fouad; Schatzschneider, Ulrich; Bründermann, Erik; Havenith, Martina

2012-11-07

In this paper we investigate metal-organic compounds as infrared (IR) active labels by scattering scanning near-field infrared microscopy (IR s-SNOM, often also abbreviated as s-SNIM) with a lateral resolution of 90 × 90 nm(2). Tailor-made IR spectroscopic probes based on cymantrene (CpMn(CO)(3) with Cp = η(5)-C(5)H(5)) conjugated to a cysteine-modified pseudoneurotensin (pNT-Cys-OH) peptide were prepared by automated microwave-assisted solid phase peptide synthesis (SPPS) and characterized by HPLC, ESI-MS and IR. Well-defined patterned self-assembled monolayers on a gold surface were prepared by microcontact printing of 1-octadecanethiol (ODT) followed by additional incubation in ethanolic solution of the cymantrene-peptide derivative. The self-assembled monolayers have been evidenced by infrared reflection absorption spectroscopy (IRRAS) and AFM. CO laser source radiation was tuned (1944, 1900, 1798 and 1658 cm(-1)) for imaging contrast with good matching correlation between spectroscopic and topographic patterns at specific characteristic metal carbonyl and amide bands (1944 cm(-1) (λ = 5.14 μm) and 1658 cm(-1) (λ = 6.03 μm)). Cymantrene probes provide an attractive method to tag a unique spectroscopic feature on any bio(macro)molecule. Introducing such probes into super-resolution IR s-SNOM will enable molecular tracking and distribution studies even in complex biological systems.

Spectroscopic characterization of the quantum wires in titanosilicates ETS-4 and ETS-10

NASA Astrophysics Data System (ADS)

Yilmaz, Bilge; Warzywoda, Juliusz; Sacco, Albert, Jr.

2006-08-01

Titanosilicates ETS-4 and ETS-10 contain octahedrally coordinated monatomic semiconductor \\cdots \\mathrm {Ti} -O-Ti-O-\\mathrm {Ti}\\cdots (titania) chains in their frameworks. Titania chains are isolated from one another by a siliceous matrix. Thus, these chains can be regarded as one-dimensional nanostructures, i.e., 'quantum wires'. Diffuse reflectance UV-vis (DR-UV-vis) spectroscopy analysis demonstrated a significant blue-shift of the optical absorption edge (>60 nm) for both ETS-4 and ETS-10 compared to bulk titania. This blue-shift is consistent with the hypothesis that the titania chains in ETS-4 and ETS-10 are acting as quantum wires. A broad range of ETS-4 and ETS-10 samples with diverse crystallo-chemical characteristics was prepared. The DR-UV-vis and Raman spectra of various ETS-4 and ETS-10 samples exhibited different characteristics, which were hypothesized to be related to the titania chain 'quality'. Detailed investigation of the spectroscopic bands associated with the titania chains in ETS-4 was performed for the first time. The 'quality' of these titania chains/quantum wires in ETS-4 and ETS-10 was correlated with the crystal growth mechanisms of these materials. Comparison of the growth mechanisms and the spectroscopic behaviour for ETS-4 and ETS-10 suggests that the control of 'quantum wire quality' via hydrothermal synthesis is possible in ETS-4 but would be difficult in ETS-10.

DFT modeling, UV-Vis and IR spectroscopic study of acetylacetone-modified zirconia sol-gel materials.

PubMed

Georgieva, Ivelina; Danchova, Nina; Gutzov, Stoyan; Trendafilova, Natasha

2012-06-01

Theoretical and spectroscopic studies of a series of monomeric and dimeric complexes formed through the modification of a zirconium butoxide precursor with acetylacetone and subsequent hydrolysis and/or condensation have been performed by applying DFT/B3LYP/6-31++G(d) and highly accurate RI-ADC(2) methods as well as IR and UV-Vis transmittance and diffuse reflectance spectroscopies. Based on DFT model calculations and simulated and experimental UV-Vis and IR spectra of all the studied structures, the most probable building units of the Zr(IV)-AcAc gel were predicted: the dimeric double hydroxo-bridged complex Zr(2)(AcAc)(2)(OH)(4)(OH)(2br) 9 and the monooxo-bridged complex Zr(2)(AcAc)(2)(OH)(4)O(br)·2H(2)O 12. In both structures, the two AcAc ligands are coordinated to one Zr atom. It was shown that building units 9 and 12 determine the photophysical and vibrational properties of the gel material. The observed UV-Vis and IR spectra of Zr(IV)-AcAc gel were interpreted and a relation between the spectroscopic and structural data was derived. The observed UV-Vis bands at 315 nm and 298/288 nm were assigned to partial ligand-metal transitions and to intra-/inter-AcAc ligand transitions, respectively.

Prior-knowledge Fitting of Accelerated Five-dimensional Echo Planar J-resolved Spectroscopic Imaging: Effect of Nonlinear Reconstruction on Quantitation.

PubMed

Iqbal, Zohaib; Wilson, Neil E; Thomas, M Albert

2017-07-24

1 H Magnetic Resonance Spectroscopic imaging (SI) is a powerful tool capable of investigating metabolism in vivo from mul- tiple regions. However, SI techniques are time consuming, and are therefore difficult to implement clinically. By applying non-uniform sampling (NUS) and compressed sensing (CS) reconstruction, it is possible to accelerate these scans while re- taining key spectral information. One recently developed method that utilizes this type of acceleration is the five-dimensional echo planar J-resolved spectroscopic imaging (5D EP-JRESI) sequence, which is capable of obtaining two-dimensional (2D) spectra from three spatial dimensions. The prior-knowledge fitting (ProFit) algorithm is typically used to quantify 2D spectra in vivo, however the effects of NUS and CS reconstruction on the quantitation results are unknown. This study utilized a simulated brain phantom to investigate the errors introduced through the acceleration methods. Errors (normalized root mean square error >15%) were found between metabolite concentrations after twelve-fold acceleration for several low concentra- tion (<2 mM) metabolites. The Cramér Rao lower bound% (CRLB%) values, which are typically used for quality control, were not reflective of the increased quantitation error arising from acceleration. Finally, occipital white (OWM) and gray (OGM) human brain matter were quantified in vivo using the 5D EP-JRESI sequence with eight-fold acceleration.

Operando Soft X-ray Absorption Spectroscopic Study on a Solid Oxide Fuel Cell Cathode during Electrochemical Oxygen Reduction.

PubMed

Nakamura, Takashi; Oike, Ryo; Kimura, Yuta; Tamenori, Yusuke; Kawada, Tatsuya; Amezawa, Koji

2017-05-09

An operando soft X-ray absorption spectroscopic technique, which enabled the analysis of the electronic structures of the electrode materials at elevated temperature in a controlled atmosphere and electrochemical polarization, was established and its availability was demonstrated by investigating the electronic structural changes of an La 2 NiO 4+δ dense-film electrode during an electrochemical oxygen reduction reaction. Clear O K-edge and Ni L-edge X-ray absorption spectra could be obtained below 773 K under an atmospheric pressure of 100 ppm O 2 /He, 0.1 % O 2 /He, and 1 % O 2 /He gas mixtures. Considerable spectral changes were observed in the O K-edge X-ray absorption spectra upon changing the PO2 and application of electrical potential, whereas only small spectral changes were observed in Ni L-edge X-ray absorption spectra. A pre-edge peak of the O K-edge X-ray absorption spectra, which reflects the unoccupied partial density of states of Ni 3d-O 2p hybridization, increased or decreased with cathodic or anodic polarization, respectively. The electronic structural changes of the outermost orbital of the electrode material due to electrochemical polarization were successfully confirmed by the operando X-ray absorption spectroscopic technique developed in this study. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

Conservation of artists' acrylic emulsion paints: XPS, NEXAFS and ATR-FTIR studies of wet cleaning methods

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

Willneff, E. A.; Ormsby, B. A.; Stevens, J. S.

Works of art prepared with acrylic emulsion paints became commercially available in the 1960s. It is increasingly necessary to undertake and optimise cleaning and preventative conservation treatments to ensure their longevity. Model artists' acrylic paint films covered with artificial soiling were thus prepared on a canvas support and exposed to a variety of wet cleaning treatments based on aqueous or hydrocarbon solvent systems. This included some with additives such as chelating agents and/or surfactants, and microemulsion systems made specifically for conservation practice. The impact of cleaning (soiling removal) on the paint film surface was examined visually and correlated with resultsmore » of attenuated total reflection Fourier transform infrared, XPS and near-edge X-ray absorption fine structure analyses – three spectroscopic techniques with increasing surface sensitivity ranging from approximately $-$ 1000, 10 and 5 nm, respectively. Visual analysis established the relative cleaning efficacy of the wet cleaning treatments in line with previous results. X-ray spectroscopy analysis provided significant additional findings, including evidence for (i) surfactant extraction following aqueous swabbing, (ii) modifications to pigment following cleaning and (iii) cleaning system residues.« less

Preparation, characterization and dynamical mechanical properties of dextran-coated iron oxide nanoparticles (DIONPs).

PubMed

Can, Hatice Kaplan; Kavlak, Serap; ParviziKhosroshahi, Shahed; Güner, Ali

2018-03-01

Dextran-coated iron oxide nanoparticles (DIONPs) with appropriate surface chemistry exhibit many interesting properties that can be exploited in a variety of biomedical applications such as magnetic resonance imaging (MRI) contrast enhancement, tissue repair, hyperthermia, drug delivery and in cell separation. This paper reports the experimental detail for preparation, characterization and investigation of thermal and dynamical mechanical characteristics of the dextran-coated Fe 3 O 4 magnetic nanoparticles. In our work, DIONPs were prepared in a 1:2 ratio of Fe(II) and Fe(III) salt in the HCl solution with NaOH at given temperature. The obtained dextran-coated iron-oxide nanoparticles structure-property correlation was characterized by spectroscopic methods; attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR) and XRD. Coating dextran on the iron-oxide proof of important peaks can be seen from the ATR-FTIR. Dramatic crystallinity increment can be observed from the XRD pattern of the iron-oxide dextran nanoparticles. The thermal analysis was examined by differential scanning calorimetry (DSC), thermal gravimetric analysis (TGA) and differential thermal analysis (DTA). Dynamical mechanical properties of dextran nanoparticles were analysed by dynamic mechanical analysis (DMA). Thermal stability of the iron oxide dextran nanoparticles is higher than that of the dextran.

Near-infrared spectroscopic assessment of oxygen delivery to free flaps on monkeys following vascular occlusions and inhalation of pure oxygen

NASA Astrophysics Data System (ADS)

Tian, Fenghua; Ding, Haishu; Cai, Zhigang; Wang, Guangzhi; Zhao, Fuyun

2002-04-01

In recent studies, near-infrared spectroscopy (NIRS) has been considered as a potentially ideal noninvasive technique for the postoperative monitoring of plastic surgery. In this study, free flaps were raised on rhesus monkeys' forearms and oxygen delivery to these flaps was monitored following vascular occlusions and inhalation of pure oxygen. Optical fibers were adopted in the probe of the oximeter so that the detection could be performed in reflectance mode. The distance between emitter and detector can be adjusted easily to achieve the best efficacy. Different and repeatable patterns of changes were measured following vascular occlusions (arterial occlusion, venous occlusion and total occlusion) on flaps. It is clear that the near-infrared spectroscopy is capable of postoperatively monitoring vascular problems in flaps. NIRS showed high sensitivity to detect the dynamic changes in flaps induced by inhalation of pure oxygen in this study. The experimental results indicated that it was potential to assess tissue viability utilizing the dynamic changes induced by a noninvasive stimulation. It may be a new assessing method that is rapid, little influenced by other factors and brings less discomfort to patients.

Multistage bioassociation of uranium onto an extremely halophilic archaeon revealed by a unique combination of spectroscopic and microscopic techniques

DOE PAGES

Bader, Miriam; Müller, Katharina; Foerstendorf, Harald; ...

2016-12-27

The interactions of two extremely halophilic archaea with uranium were investigated in this paper at high ionic strength as a function of time, pH and uranium concentration. Halobacterium noricense DSM-15987 and Halobacterium sp. putatively noricense, isolated from the Waste Isolation Pilot Plant repository, were used for these investigations. The kinetics of U(VI) bioassociation with both strains showed an atypical multistage behavior, meaning that after an initial phase of U(VI) sorption, an unexpected interim period of U(VI) release was observed, followed by a slow reassociation of uranium with the cells. By applying in situ attenuated total reflection Fourier-transform infrared spectroscopy, themore » involvement of phosphoryl and carboxylate groups in U(VI) complexation during the first biosorption phase was shown. Differences in cell morphology and uranium localization become visible at different stages of the bioassociation process, as shown with scanning electron microscopy in combination with energy dispersive X-ray spectroscopy. Finally, our results demonstrate for the first time that association of uranium with the extremely halophilic archaeon is a multistage process, beginning with sorption and followed by another process, probably biomineralization.« less

Multistage bioassociation of uranium onto an extremely halophilic archaeon revealed by a unique combination of spectroscopic and microscopic techniques

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

Bader, Miriam; Müller, Katharina; Foerstendorf, Harald

The interactions of two extremely halophilic archaea with uranium were investigated in this paper at high ionic strength as a function of time, pH and uranium concentration. Halobacterium noricense DSM-15987 and Halobacterium sp. putatively noricense, isolated from the Waste Isolation Pilot Plant repository, were used for these investigations. The kinetics of U(VI) bioassociation with both strains showed an atypical multistage behavior, meaning that after an initial phase of U(VI) sorption, an unexpected interim period of U(VI) release was observed, followed by a slow reassociation of uranium with the cells. By applying in situ attenuated total reflection Fourier-transform infrared spectroscopy, themore » involvement of phosphoryl and carboxylate groups in U(VI) complexation during the first biosorption phase was shown. Differences in cell morphology and uranium localization become visible at different stages of the bioassociation process, as shown with scanning electron microscopy in combination with energy dispersive X-ray spectroscopy. Finally, our results demonstrate for the first time that association of uranium with the extremely halophilic archaeon is a multistage process, beginning with sorption and followed by another process, probably biomineralization.« less

Application of Fourier transform infrared spectroscopy with chemometrics on postmortem interval estimation based on pericardial fluids.

PubMed

Zhang, Ji; Li, Bing; Wang, Qi; Wei, Xin; Feng, Weibo; Chen, Yijiu; Huang, Ping; Wang, Zhenyuan

2017-12-21

Postmortem interval (PMI) evaluation remains a challenge in the forensic community due to the lack of efficient methods. Studies have focused on chemical analysis of biofluids for PMI estimation; however, no reports using spectroscopic methods in pericardial fluid (PF) are available. In this study, Fourier transform infrared (FTIR) spectroscopy with attenuated total reflectance (ATR) accessory was applied to collect comprehensive biochemical information from rabbit PF at different PMIs. The PMI-dependent spectral signature was determined by two-dimensional (2D) correlation analysis. The partial least square (PLS) and nu-support vector machine (nu-SVM) models were then established based on the acquired spectral dataset. Spectral variables associated with amide I, amide II, COO - , C-H bending, and C-O or C-OH vibrations arising from proteins, polypeptides, amino acids and carbohydrates, respectively, were susceptible to PMI in 2D correlation analysis. Moreover, the nu-SVM model appeared to achieve a more satisfactory prediction than the PLS model in calibration; the reliability of both models was determined in an external validation set. The study shows the possibility of application of ATR-FTIR methods in postmortem interval estimation using PF samples.

Conservation of artists' acrylic emulsion paints: XPS, NEXAFS and ATR-FTIR studies of wet cleaning methods

DOE PAGES

Willneff, E. A.; Ormsby, B. A.; Stevens, J. S.; ...

2014-02-17

Works of art prepared with acrylic emulsion paints became commercially available in the 1960s. It is increasingly necessary to undertake and optimise cleaning and preventative conservation treatments to ensure their longevity. Model artists' acrylic paint films covered with artificial soiling were thus prepared on a canvas support and exposed to a variety of wet cleaning treatments based on aqueous or hydrocarbon solvent systems. This included some with additives such as chelating agents and/or surfactants, and microemulsion systems made specifically for conservation practice. The impact of cleaning (soiling removal) on the paint film surface was examined visually and correlated with resultsmore » of attenuated total reflection Fourier transform infrared, XPS and near-edge X-ray absorption fine structure analyses – three spectroscopic techniques with increasing surface sensitivity ranging from approximately $-$ 1000, 10 and 5 nm, respectively. Visual analysis established the relative cleaning efficacy of the wet cleaning treatments in line with previous results. X-ray spectroscopy analysis provided significant additional findings, including evidence for (i) surfactant extraction following aqueous swabbing, (ii) modifications to pigment following cleaning and (iii) cleaning system residues.« less

Cell-wall structural changes in wheat straw pretreated for bioethanol production

PubMed Central

Kristensen, Jan B; Thygesen, Lisbeth G; Felby, Claus; Jørgensen, Henning; Elder, Thomas

2008-01-01

Background Pretreatment is an essential step in the enzymatic hydrolysis of biomass and subsequent production of bioethanol. Recent results indicate that only a mild pretreatment is necessary in an industrial, economically feasible system. The Integrated Biomass Utilisation System hydrothermal pretreatment process has previously been shown to be effective in preparing wheat straw for these processes without the application of additional chemicals. In the current work, the effect of the pretreatment on the straw cell-wall matrix and its components are characterised microscopically (atomic force microscopy and scanning electron microscopy) and spectroscopically (attenuated total reflectance Fourier transform infrared spectroscopy) in order to understand this increase in digestibility. Results The hydrothermal pretreatment does not degrade the fibrillar structure of cellulose but causes profound lignin re-localisation. Results from the current work indicate that wax has been removed and hemicellulose has been partially removed. Similar changes were found in wheat straw pretreated by steam explosion. Conclusion Results indicate that hydrothermal pretreatment increases the digestibility by increasing the accessibility of the cellulose through a re-localisation of lignin and a partial removal of hemicellulose, rather than by disruption of the cell wall. PMID:18471316

Multistage bioassociation of uranium onto an extremely halophilic archaeon revealed by a unique combination of spectroscopic and microscopic techniques.

PubMed

Bader, Miriam; Müller, Katharina; Foerstendorf, Harald; Drobot, Björn; Schmidt, Matthias; Musat, Niculina; Swanson, Juliet S; Reed, Donald T; Stumpf, Thorsten; Cherkouk, Andrea

2017-04-05

The interactions of two extremely halophilic archaea with uranium were investigated at high ionic strength as a function of time, pH and uranium concentration. Halobacterium noricense DSM-15987 and Halobacterium sp. putatively noricense, isolated from the Waste Isolation Pilot Plant repository, were used for these investigations. The kinetics of U(VI) bioassociation with both strains showed an atypical multistage behavior, meaning that after an initial phase of U(VI) sorption, an unexpected interim period of U(VI) release was observed, followed by a slow reassociation of uranium with the cells. By applying in situ attenuated total reflection Fourier-transform infrared spectroscopy, the involvement of phosphoryl and carboxylate groups in U(VI) complexation during the first biosorption phase was shown. Differences in cell morphology and uranium localization become visible at different stages of the bioassociation process, as shown with scanning electron microscopy in combination with energy dispersive X-ray spectroscopy. Our results demonstrate for the first time that association of uranium with the extremely halophilic archaeon is a multistage process, beginning with sorption and followed by another process, probably biomineralization. Copyright © 2016. Published by Elsevier B.V.

Characterisation of thin films of graphene–surfactant composites produced through a novel semi-automated method

PubMed Central

Nabok, Alexei; Davis, Frank; Higson, Séamus P J

2016-01-01

Summary In this paper we detail a novel semi-automated method for the production of graphene by sonochemical exfoliation of graphite in the presence of ionic surfactants, e.g., sodium dodecyl sulfate (SDS) and cetyltrimethylammonium bromide (CTAB). The formation of individual graphene flakes was confirmed by Raman spectroscopy, while the interaction of graphene with surfactants was proven by NMR spectroscopy. The resulting graphene–surfactant composite material formed a stable suspension in water and some organic solvents, such as chloroform. Graphene thin films were then produced using Langmuir–Blodgett (LB) or electrostatic layer-by-layer (LbL) deposition techniques. The composition and morphology of the films produced was studied with SEM/EDX and AFM. The best results in terms of adhesion and surface coverage were achieved using LbL deposition of graphene(−)SDS alternated with polyethyleneimine (PEI). The optical study of graphene thin films deposited on different substrates was carried out using UV–vis absorption spectroscopy and spectroscopic ellipsometry. A particular focus was on studying graphene layers deposited on gold-coated glass using a method of total internal reflection ellipsometry (TIRE) which revealed the enhancement of the surface plasmon resonance in thin gold films by depositing graphene layers. PMID:26977378

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.

Surface chemistry changes and microstructure evaluation of low density nanocluster polyethylene under natural weathering: A spectroscopic investigation

NASA Astrophysics Data System (ADS)

Hamzah, M.; Khenfouch, M.; Rjeb, A.; Sayouri, S.; Houssaini, D. S.; Darhouri, M.; Srinivasu, VV

2018-03-01

Polyethylene is the most commonly used plastic in daily life, covering wide areas of application e.g. this polymer is used as a greenhouses covering material. This article investigates the effect of photo-oxidation on commercial unstabilised Low Density Polyethylene (uLDPE), as result of outdoor weathering factors. In this study, the samples were exposed for four months to the natural weather. The physico-chemical effects of natural ageing were studied by attenuated total reflection Fourier transform infrared (ATR-FTIR) and X-ray photoelectron (XPS) spectroscopy to elucidate the chemical composition, the nature of chemical bonds established and further to interrogate the changes that occur on the surface of the uLDPE samples. The main chemical change of uLDPE results in the formation of different kinds of carbonyl and vinyl groups identifiable in the ATR-FTIR and XPS spectra. The degree of crystallinity for these samples was calculated in terms of time exposure. An increase in the degree of crystallinity due to chemicrystallization was observed, which we indicative of the occurrences of chain scission. During outdoor exposure it was found that the photo-oxidation results in the formation of chain scission occurrences via Norrish type II reactions.

Use of hyperspectral imaging technology to develop a diagnostic support system for gastric cancer

NASA Astrophysics Data System (ADS)

Goto, Atsushi; Nishikawa, Jun; Kiyotoki, Shu; Nakamura, Munetaka; Nishimura, Junichi; Okamoto, Takeshi; Ogihara, Hiroyuki; Fujita, Yusuke; Hamamoto, Yoshihiko; Sakaida, Isao

2015-01-01

Hyperspectral imaging (HSI) is a new technology that obtains spectroscopic information and renders it in image form. This study examined the difference in the spectral reflectance (SR) of gastric tumors and normal mucosa recorded with a hyperspectral camera equipped with HSI technology and attempted to determine the specific wavelength that is useful for the diagnosis of gastric cancer. A total of 104 gastric tumors removed by endoscopic submucosal dissection from 96 patients at Yamaguchi University Hospital were recorded using a hyperspectral camera. We determined the optimal wavelength and the cut-off value for differentiating tumors from normal mucosa to establish a diagnostic algorithm. We also attempted to highlight tumors by image processing using the hyperspectral camera's analysis software. A wavelength of 770 nm and a cut-off value of 1/4 the corrected SR were selected as the respective optimal wavelength and cut-off values. The rates of sensitivity, specificity, and accuracy of the algorithm's diagnostic capability were 71%, 98%, and 85%, respectively. It was possible to enhance tumors by image processing at the 770-nm wavelength. HSI can be used to measure the SR in gastric tumors and to differentiate between tumorous and normal mucosa.

Synthesis, spectroscopic, single crystal diffraction and potential nonlinear optical properties of novel pyrazoline derivatives: Interplay of experimental and computational analyses.

PubMed

Arshad, Muhammad Nadeem; Birinji, Abdulhadi Salih; Khalid, Muhammad; Asiri, Abdullah M; Al-Amry, Khalid A; Aqlan, Faisal M S; Braga, Ataualpa A C

2018-09-05

Pyrazoline are widely being studied due to their potential applications in chemical field. Herein, five pyrazolines compounds were synthesized and characterized spectroscopically using nuclear magnetic resonance techniques ( 1 H NMR & 13 C NMR) to determine the structures of molecules along-with UV-Visible and infrared (FT-IR) studies for additional spectroscopic support in characterization of entitle synthesized molecules. Unit cells, specific space groups, bond lengths, bond angles and hydrogen bonding interactions were determined by the x-ray diffraction studies. Further, computational study of compounds with B3LYP/6-311 + G(d,p) level were carried out to explore optimized geometry, spectroscopic data for FT-IR, frontier molecular orbitals (FMOs) and non-linear optical (NLO) parameters. While, UV-Vis spectral were performed by TD-DFT/B3LYP/6-311 + G(d,p) level. The experimental results of spectroscopic and single crystal studies were compared and found in good agreement with the computational. The global reactivity parameters have been calculated with the help of the energy of FMOs. The order for the total first and second order hyperpolarizabilities of 1-5 is found in the following orders: 1 > 4 > 3 > 5 > 2 and 1 > 4 > 5 > 2 > 3 respectively. Overall, greater NLO response than urea molecule prove that investigated molecules are excellent candidate for NLO applications. Copyright © 2018 Elsevier B.V. All rights reserved.

The Data Release of the Sloan Digital Sky Survey-II Supernova Survey

NASA Astrophysics Data System (ADS)

Sako, Masao; Bassett, Bruce; Becker, Andrew C.; Brown, Peter J.; Campbell, Heather; Wolf, Rachel; Cinabro, David; D’Andrea, Chris B.; Dawson, Kyle S.; DeJongh, Fritz; Depoy, Darren L.; Dilday, Ben; Doi, Mamoru; Filippenko, Alexei V.; Fischer, John A.; Foley, Ryan J.; Frieman, Joshua A.; Galbany, Lluis; Garnavich, Peter M.; Goobar, Ariel; Gupta, Ravi R.; Hill, Gary J.; Hayden, Brian T.; Hlozek, Renée; Holtzman, Jon A.; Hopp, Ulrich; Jha, Saurabh W.; Kessler, Richard; Kollatschny, Wolfram; Leloudas, Giorgos; Marriner, John; Marshall, Jennifer L.; Miquel, Ramon; Morokuma, Tomoki; Mosher, Jennifer; Nichol, Robert C.; Nordin, Jakob; Olmstead, Matthew D.; Östman, Linda; Prieto, Jose L.; Richmond, Michael; Romani, Roger W.; Sollerman, Jesper; Stritzinger, Max; Schneider, Donald P.; Smith, Mathew; Wheeler, J. Craig; Yasuda, Naoki; Zheng, Chen

2018-06-01

This paper describes the data release of the Sloan Digital Sky Survey-II (SDSS-II) Supernova Survey conducted between 2005 and 2007. Light curves, spectra, classifications, and ancillary data are presented for 10,258 variable and transient sources discovered through repeat ugriz imaging of SDSS Stripe 82, a 300 deg2 area along the celestial equator. This data release is comprised of all transient sources brighter than r ≃ 22.5 mag with no history of variability prior to 2004. Dedicated spectroscopic observations were performed on a subset of 889 transients, as well as spectra for thousands of transient host galaxies using the SDSS-III BOSS spectrographs. Photometric classifications are provided for the candidates with good multi-color light curves that were not observed spectroscopically, using host galaxy redshift information when available. From these observations, 4607 transients are either spectroscopically confirmed, or likely to be, supernovae, making this the largest sample of supernova candidates ever compiled. We present a new method for SN host-galaxy identification and derive host-galaxy properties including stellar masses, star formation rates, and the average stellar population ages from our SDSS multi-band photometry. We derive SALT2 distance moduli for a total of 1364 SN Ia with spectroscopic redshifts as well as photometric redshifts for a further 624 purely photometric SN Ia candidates. Using the spectroscopically confirmed subset of the three-year SDSS-II SN Ia sample and assuming a flat ΛCDM cosmology, we determine Ω M = 0.315 ± 0.093 (statistical error only) and detect a non-zero cosmological constant at 5.7σ.

Characterizing Aeroallergens by Infrared Spectroscopy of Fungal Spores and Pollen

PubMed Central

Zimmermann, Boris; Tkalčec, Zdenko; Mešić, Armin; Kohler, Achim

2015-01-01

Background Fungal spores and plant pollen cause respiratory diseases in susceptible individuals, such as asthma, allergic rhinitis and hypersensitivity pneumonitis. Aeroallergen monitoring networks are an important part of treatment strategies, but unfortunately traditional analysis is time consuming and expensive. We have explored the use of infrared spectroscopy of pollen and spores for an inexpensive and rapid characterization of aeroallergens. Methodology The study is based on measurement of spore and pollen samples by single reflectance attenuated total reflectance Fourier transform infrared spectroscopy (SR-ATR FTIR). The experimental set includes 71 spore (Basidiomycota) and 121 pollen (Pinales, Fagales and Poales) samples. Along with fresh basidiospores, the study has been conducted on the archived samples collected within the last 50 years. Results The spectroscopic-based methodology enables clear spectral differentiation between pollen and spores, as well as the separation of confamiliar and congeneric species. In addition, the analysis of the scattering signals inherent in the infrared spectra indicates that the FTIR methodology offers indirect estimation of morphology of pollen and spores. The analysis of fresh and archived spores shows that chemical composition of spores is well preserved even after decades of storage, including the characteristic taxonomy-related signals. Therefore, biochemical analysis of fungal spores by FTIR could provide economical, reliable and timely methodologies for improving fungal taxonomy, as well as for fungal identification and monitoring. This proof of principle study shows the potential for using FTIR as a rapid tool in aeroallergen studies. In addition, the presented method is ready to be immediately implemented in biological and ecological studies for direct measurement of pollen and spores from flowers and sporocarps. PMID:25867755

Small-displacement sensing system based on multiple total internal reflections in heterodyne interferometry.

PubMed

Wang, Shinn-Fwu; Chiu, Ming-Hung; Chen, Wei-Wu; Kao, Fu-Hsi; Chang, Rong-Seng

2009-05-01

A small-displacement sensing system based on multiple total internal reflections in heterodyne interferometry is proposed. In this paper, a small displacement can be obtained only by measuring the variation in phase difference between s- and p-polarization states for the total internal reflection effect. In order to improve the sensitivity, we increase the number of total internal reflections by using a parallelogram prism. The theoretical resolution of the method is better than 0.417 nm. The method has some merits, e.g., high resolution, high sensitivity, and real-time measurement. Also, its feasibility is demonstrated.

Photometric and spectroscopic study of low mass embedded star clusters in reflection nebulae

NASA Astrophysics Data System (ADS)

Soares, J. B.; Bica, E.; Ahumada, A. V.; Clariá, J. J.

2005-02-01

An analysis of the candidate embedded stellar systems in the reflection nebulae vdBH-RN 26, vdBH-RN} 38, vdBH-RN} 53a, GGD 20, ESO 95-RN 18 and NGC 6595 is presented. Optical spectroscopic data from CASLEO (Argentina) in conjunction with near infrared photometry from the 2MASS Point Source Catalogue were employed. The analysis is based on source surface density, colour-colour and colour-magnitude diagrams together with theoretical pre-main sequence isochrones. We take into account the field population affecting the analysis by carrying out a statistical subtraction. The fundamental parameters for the stellar systems were derived. The resulting ages are in the range 1-4 Myr and the objects are dominated by pre-main sequence stars. The observed masses locked in the clusters are less than 25 M⊙. The studied systems have no stars of spectral types earlier than B, indicating that star clusters do not necessarily evolve through an HII region phase. The relatively small locked mass combined with the fact that they are not numerous in catalogues suggests that these low mass clusters are not important donors of stars to the field populations. Based on observations made at Complejo Astronómico El Leoncito, which is operated under agreement between the Consejo Nacional de Investigaciones Científicas y Técnicas de la República Argentina and the National Universities of La Plata, Córdoba and San Juan, Argentina.

Spectroscopic Detection of Minerals in Martian Meteorites using Reflectance and Emittance Spectroscopy and Applications to Surface Mineralogy on Mars

NASA Astrophysics Data System (ADS)

Bishop, J. L.; Hamilton, V. E.

2001-12-01

Martian meteorites provide direct information about crustal rocks on Mars. In this study we are measuring reflectance and emittance spectra of multiple Martian meteorites in order to characterize the spectral properties of the minerals present and to develop comprehensive criteria for remote detection of rocks and minerals. Previous studies have evaluated mid-IR emittance spectra [Hamilton et al., 1997] and visible/IR reflectance spectra [Bishop et al., 1998a,b] of Martian meteorites independently. The current study includes comparisons of the visible/NIR and mid-IR spectral regions and also involves comparison of mid-IR spectra measured using biconical reflectance and thermal emission techniques. Combining spectral analyses of Martian meteorite chips and powders enables characterization of spectral bands for remote detection of potential source regions for meteorite-like rocks on the surface of Mars using both Thermal Emission Spectrometer (TES) datasets and visible/NIR datasets from past and future missions. Identification of alteration minerals in these meteorites also provides insights into the alteration processes taking place on Mars. Analysis of TES data on Mars has identified global regions of basaltic and andesitic surface material [e.g. Bandfield et al., 2000; Christensen et al., 2000]; however neither of these spectral endmembers corresponds well to the spectra of Martian meteorites. Some preliminary findings suggest that small regions on the surface of Mars may relate to meteorite compositions [e.g. Hoefen et al., 2000; Hamilton et al., 2001]. Part of the difficulty in identifying meteorite compositions on Mars may be due to surface alteration. We hope to apply the results of our spectroscopic analyses of Martian meteorites, as well as fresh and altered basaltic material, toward analysis of composition on Mars using multiple spectral datasets. References: Bandfield J. et al., Science 287, 1626, 2000. Bishop J. et al., MAPS 33, 699, 1998a. Bishop J. et al., MAPS 33, 693, 1998b. Christensen P., et al., JGR 105, 9609, 2000. Hamilton V. et al., JGR 102, 25593, 1997. Hamilton V. et al., LPSC XXXII, #2184, 2001. Hoefen T. et al., Bull. Am. Astron. Soc. 32, 1118, 2000.

Non-destructive evaluation of specialty coating degradation using terahertz time-domain spectroscopy

NASA Astrophysics Data System (ADS)

Nicoletti, Carley R.; Cramer, Laura; Fletcher, Alan; Zimdars, David; Iqbal, Zafar; Federici, John F.

2017-05-01

The Terahertz Time Domain Reflection Spectroscopy (THz-TDS) method of paint layer diagnostics is a non-contact electromagnetic technique analogous to pulsed-ultrasound with the added capability of spectroscopic characterization. The THz-TDS sensor emits a near-single cycle electromagnetic pulse with a bandwidth from 0.1 to 3 THz. This wide bandwidth pulse is focused on the coating, and echo pulses are generated from each interface (air-coating, layer-layer, coating-substrate). In this paper, the THz-TDS method is applied to specialty aircraft coatings. The THz-TDS method is able to penetrate the whole coating stack and sample the properties of each layer. Because the reflected pulses from individual layers typically overlap in time, the complex permittivity function and thickness of each layer is determined by a best fit of the measured reflection (either in time or frequency domain) to a layered model of the paint. The THz- TDS method is applied to specialty coatings prior to and during accelerated aging on a series of test coupons. The coupons are also examined during aging using ATR (attenuated total reflectance)-FTIR spectroscopy, Raman scattering spectroscopy, and Scanning Electron Microscopy (SEM) to ascertain, quantify, and understand the breakdown mechanisms of the coatings. In addition, the same samples are characterized using THz-TDS techniques to determine if the THz-TDS method can be utilized as a non-destructive evaluation technique to sense degradation of the coatings. Our results suggest that the degradation mechanism begins in the top coat layer. In this layer, 254 nm UV illumination in combination with the presence of moisture works partially with oxides as catalysts to decompose the polymer matrix thereby creating porosity in the top coat layer. Since the catalytic effect is partial, loss of the oxides by chemical reaction can also occur. As the topcoat layer becomes more porous, it allows water vapor to permeate the topcoat layer and interact with the rain erosion layer via carbonization of the polymer matrix in the rain erosion layer. The presence of the salt accelerates the pitting degradation. The goal of this paper is to determine if THz-TDS can be used to sense degradation of the coating.

Temperature dependent optical characterization of Ni-TiO2 thin films as potential photocatalytic material

NASA Astrophysics Data System (ADS)

De, Rajnarayan; Haque, S. Maidul; Tripathi, S.; Rao, K. Divakar; Singh, Ranveer; Som, T.; Sahoo, N. K.

2017-09-01

Along with other transition metal doped titanium dioxide materials, Ni-TiO2 is considered to be one of the most efficient materials for catalytic applications due to its suitable energy band positions in the electronic structure. The present manuscript explores the possibility of improving the photocatalytic activity of RF magnetron sputtered Ni-TiO2 films upon heat treatment. Optical, structural and morphological and photocatalytic properties of the films have been investigated in detail for as deposited and heat treated samples. Evolution of refractive index (RI) and total film thickness as estimated from spectroscopic ellipsometry characterization are found to be in agreement with the trend in density and total film thickness estimated from grazing incidence X-ray reflectivity measurement. Interestingly, the evolution of these macroscopic properties were found to be correlated with the corresponding microstructural modifications realized in terms of anatase to rutile phase transformation and appearance of a secondary phase namely NiTiO3 at high temperature. Corresponding morphological properties of the films were also found to be temperature dependent which leads to modifications in the grain structure. An appreciable reduction of optical band gap from 2.9 to 2.5 eV of Ni-TiO2 thin films was also observed as a result of post deposition heat treatment. Testing of photocatalytic activity of the films performed under UV illumination demonstrates heat treatment under atmospheric ambience to be an effective means to enhance the photocatalytic efficiency of transition metal doped titania samples.

Impact of the differential fluence distribution of brachytherapy sources on the spectroscopic dose-rate constant

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

Malin, Martha J.; Bartol, Laura J.; DeWerd, Larry A., E-mail: mmalin@wisc.edu, E-mail: ladewerd@wisc.edu

2015-05-15

Purpose: To investigate why dose-rate constants for {sup 125}I and {sup 103}Pd seeds computed using the spectroscopic technique, Λ{sub spec}, differ from those computed with standard Monte Carlo (MC) techniques. A potential cause of these discrepancies is the spectroscopic technique’s use of approximations of the true fluence distribution leaving the source, φ{sub full}. In particular, the fluence distribution used in the spectroscopic technique, φ{sub spec}, approximates the spatial, angular, and energy distributions of φ{sub full}. This work quantified the extent to which each of these approximations affects the accuracy of Λ{sub spec}. Additionally, this study investigated how the simplified water-onlymore » model used in the spectroscopic technique impacts the accuracy of Λ{sub spec}. Methods: Dose-rate constants as described in the AAPM TG-43U1 report, Λ{sub full}, were computed with MC simulations using the full source geometry for each of 14 different {sup 125}I and 6 different {sup 103}Pd source models. In addition, the spectrum emitted along the perpendicular bisector of each source was simulated in vacuum using the full source model and used to compute Λ{sub spec}. Λ{sub spec} was compared to Λ{sub full} to verify the discrepancy reported by Rodriguez and Rogers. Using MC simulations, a phase space of the fluence leaving the encapsulation of each full source model was created. The spatial and angular distributions of φ{sub full} were extracted from the phase spaces and were qualitatively compared to those used by φ{sub spec}. Additionally, each phase space was modified to reflect one of the approximated distributions (spatial, angular, or energy) used by φ{sub spec}. The dose-rate constant resulting from using approximated distribution i, Λ{sub approx,i}, was computed using the modified phase space and compared to Λ{sub full}. For each source, this process was repeated for each approximation in order to determine which approximations used in the spectroscopic technique affect the accuracy of Λ{sub spec}. Results: For all sources studied, the angular and spatial distributions of φ{sub full} were more complex than the distributions used in φ{sub spec}. Differences between Λ{sub spec} and Λ{sub full} ranged from −0.6% to +6.4%, confirming the discrepancies found by Rodriguez and Rogers. The largest contribution to the discrepancy was the assumption of isotropic emission in φ{sub spec}, which caused differences in Λ of up to +5.3% relative to Λ{sub full}. Use of the approximated spatial and energy distributions caused smaller average discrepancies in Λ of −0.4% and +0.1%, respectively. The water-only model introduced an average discrepancy in Λ of −0.4%. Conclusions: The approximations used in φ{sub spec} caused discrepancies between Λ{sub approx,i} and Λ{sub full} of up to 7.8%. With the exception of the energy distribution, the approximations used in φ{sub spec} contributed to this discrepancy for all source models studied. To improve the accuracy of Λ{sub spec}, the spatial and angular distributions of φ{sub full} could be measured, with the measurements replacing the approximated distributions. The methodology used in this work could be used to determine the resolution that such measurements would require by computing the dose-rate constants from phase spaces modified to reflect φ{sub full} binned at different spatial and angular resolutions.« less

Reflectance spectrometry of placental vessels in cases of twin-twin transfusion syndrome: experiments and modeling

NASA Astrophysics Data System (ADS)

Lines, Collin; Kim, Oleg; McMurdy, John; Luks, Francois; Alber, Mark; Crawford, Greg

2013-03-01

A stochastic photon transport model in multilayer skin tissue combined with reflectance spectroscopy measurements is used to study placental vessels in cases of twin-twin transfusion syndrome (TTTS). TTTS occurs in about 12% of monozygotic (identical) twin pregnancies wherein flow within placental vessels linking the twins together becomes unbalanced, leading to dual mortality. Endoscopic laser ablation can halt the syndrome by occluding the anastomoses connecting the two fetuses. The objective of this study is to develop a technique to determine hemoglobin (Hb) content through spectral analysis of diffuse reflectance spectra of placental vessels to aid in identification of the anastomoses. Previous work by researchers at Brown University has shown that the reflectance spectra of the donor twin and recipient twin are considerably different in the wavelengths for Hb absorbance. This presentation will give preliminary results for a Monte Carlo model adapted to fit the physiology of the placenta that can be used to quantitative determine the Hb levels. The reflectance spectra of the vessels are simulated for different values of Hb as well oxygenation and water concentration with the vessel and placental mass. The preliminary results will be shown to be in good approximation with the prior experimental data. The combination of modeling with spectroscopic measurement will provide a new tool for detailed prenatal study.

Design and validation of a diffuse reflectance and spectroscopic microendoscope with poly(dimethylsioxane)-based phantoms

PubMed Central

Greening, Gage J.; Powless, Amy J.; Hutcheson, Joshua A.; Prieto, Sandra P.; Majid, Aneeka A.; Muldoon, Timothy J.

2015-01-01

Many cases of epithelial cancer originate in basal layers of tissue and are initially undetected by conventional microendoscopy techniques. We present a bench-top, fiber-bundle microendoscope capable of providing high resolution images of surface cell morphology. Additionally, the microendoscope has the capability to interrogate deeper into material by using diffuse reflectance and broadband diffuse reflectance spectroscopy. The purpose of this multimodal technique was to overcome the limitation of microendoscopy techniques that are limited to only visualizing morphology at the tissue or cellular level. Using a custom fiber optic probe, high resolution surface images were acquired using topical proflavine to fluorescently stain non-keratinized epithelia. A 635 nm laser coupled to a 200 μm multimode fiber delivers light to the sample and the diffuse reflectance signal was captured by a 1 mm image guide fiber. Finally, a tungsten-halogen lamp coupled to a 200 μm multimode fiber delivers broadband light to the sample to acquire spectra at source-detector separations of 374, 729, and 1051 μm. To test the instrumentation, a high resolution proflavine-induced fluorescent image of resected healthy mouse colon was acquired. Additionally, five monolayer poly(dimethylsiloxane)-based optical phantoms with varying absorption and scattering properties were created to acquire diffuse reflectance profiles and broadband spectra. PMID:25983372

Design and validation of a diffuse reflectance and spectroscopic microendoscope with poly(dimethylsiloxane)-based phantoms

NASA Astrophysics Data System (ADS)

Greening, Gage J.; Powless, Amy J.; Hutcheson, Joshua A.; Prieto, Sandra P.; Majid, Aneeka A.; Muldoon, Timothy J.

2015-03-01

Many cases of epithelial cancer originate in basal layers of tissue and are initially undetected by conventional microendoscopy techniques. We present a bench-top, fiber-bundle microendoscope capable of providing high resolution images of surface cell morphology. Additionally, the microendoscope has the capability to interrogate deeper into material by using diffuse reflectance and broadband diffuse reflectance spectroscopy. The purpose of this multimodal technique was to overcome the limitation of microendoscopy techniques that are limited to only visualizing morphology at the tissue or cellular level. Using a custom fiber optic probe, high resolution surface images were acquired using topical proflavine to fluorescently stain non-keratinized epithelia. A 635 nm laser coupled to a 200 μm multimode fiber delivers light to the sample and the diffuse reflectance signal was captured by a 1 mm image guide fiber. Finally, a tungsten-halogen lamp coupled to a 200 μm multimode fiber delivers broadband light to the sample to acquire spectra at source-detector separations of 374, 729, and 1051 μm. To test the instrumentation, a high resolution proflavine-induced fluorescent image of resected healthy mouse colon was acquired. Additionally, five monolayer poly(dimethylsiloxane)-based optical phantoms with varying absorption and scattering properties were created to acquire diffuse reflectance profiles and broadband spectra.

Spectroscopic sensitivity of real-time, rapidly induced phytochemical change in response to damage.

PubMed

Couture, John J; Serbin, Shawn P; Townsend, Philip A

2013-04-01

An ecological consequence of plant-herbivore interactions is the phytochemical induction of defenses in response to insect damage. Here, we used reflectance spectroscopy to characterize the foliar induction profile of cardenolides in Asclepias syriaca in response to damage, tracked in vivo changes and examined the influence of multiple plant traits on cardenolide concentrations. Foliar cardenolide concentrations were measured at specific time points following damage to capture their induction profile. Partial least-squares regression (PLSR) modeling was employed to calibrate cardenolide concentrations to reflectance spectroscopy. In addition, subsets of plants were either repeatedly sampled to track in vivo changes or modified to reduce latex flow to damaged areas. Cardenolide concentrations and the induction profile of A. syriaca were well predicted using models derived from reflectance spectroscopy, and this held true for repeatedly sampled plants. Correlations between cardenolides and other foliar-related variables were weak or not significant. Plant modification for latex reduction inhibited an induced cardenolide response. Our findings show that reflectance spectroscopy can characterize rapid phytochemical changes in vivo. We used reflectance spectroscopy to identify the mechanisms behind the production of plant secondary metabolites, simultaneously characterizing multiple foliar constituents. In this case, cardenolide induction appears to be largely driven by enhanced latex delivery to leaves following damage. © 2013 The Authors. New Phytologist © 2013 New Phytologist Trust.

An Arduino-Based Experiment Designed to Clarify the Transition to Total Internal Reflection

ERIC Educational Resources Information Center

Atkin, Keith

2018-01-01

The topic of refraction and reflection of light at the boundary of transparent media is a fundamentally important one. The special case of total internal reflection is however commonly misrepresented in elementary textbooks. This paper addresses the problem and describes an experimental procedure for measuring and displaying reflected and…

Non-invasive diagnostics of several structural and biophysical parameters of skin cover by spectral light reflectance

NASA Astrophysics Data System (ADS)

Ivanov, Arkady P.; Barun, Vladimir V.

2007-05-01

A calculation scheme and an algorithm to simultaneously diagnose several structural and biophysical parameters of skin by reflected light are constructed in the paper. The procedure is based the fact that, after absorption and scattering, light reflected by tissue contains information on its optically active chromophores and structure. The problem on isolating the desired parameters is a spectroscopic one under multiple scattering conditions. The latter considerably complicates the solution of the problem and requires the elaboration of an approach that is specific to the object studied. The procedure presented in the paper is based on spectral tissue model properties proposed earlier and engineering methods for solving the radiative transfer equation. The desired parameters are melanin and blood volume fractions, f and c, epidermis thickness d, mean diameter D of capillaries, and blood oxygenation degree S. Spectral diffuse reflectance R(λ) of skin over the range of 400 to 850 nm was calculated as a first stage. Then the sensitivity of R(λ) to the above parameters was studied to optimize the algorithm by wavelengths and to propose an experimental scheme for diagnostics. It is shown that blood volume fraction and f*d product can be rather surely determined by the reflected green -- red light. One can find f and d separately as well as D by the blue reflectance. The last stage is the derivation of S at about 600 nm.

The VIMOS Ultra Deep Survey first data release: Spectra and spectroscopic redshifts of 698 objects up to zspec 6 in CANDELS

NASA Astrophysics Data System (ADS)

Tasca, L. A. M.; Le Fèvre, O.; Ribeiro, B.; Thomas, R.; Moreau, C.; Cassata, P.; Garilli, B.; Le Brun, V.; Lemaux, B. C.; Maccagni, D.; Pentericci, L.; Schaerer, D.; Vanzella, E.; Zamorani, G.; Zucca, E.; Amorin, R.; Bardelli, S.; Cassarà, L. P.; Castellano, M.; Cimatti, A.; Cucciati, O.; Durkalec, A.; Fontana, A.; Giavalisco, M.; Grazian, A.; Hathi, N. P.; Ilbert, O.; Paltani, S.; Pforr, J.; Scodeggio, M.; Sommariva, V.; Talia, M.; Tresse, L.; Vergani, D.; Capak, P.; Charlot, S.; Contini, T.; de la Torre, S.; Dunlop, J.; Fotopoulou, S.; Guaita, L.; Koekemoer, A.; López-Sanjuan, C.; Mellier, Y.; Salvato, M.; Scoville, N.; Taniguchi, Y.; Wang, P. W.

2017-04-01

This paper describes the first data release (DR1) of the VIMOS Ultra Deep Survey (VUDS). The VUDS-DR1 is the release of all low-resolution spectroscopic data obtained in 276.9 arcmin2 of the CANDELS-COSMOS and CANDELS-ECDFS survey areas, including accurate spectroscopic redshifts zspec and individual spectra obtained with VIMOS on the ESO-VLT. A total of 698 objects have a measured redshift, with 677 galaxies, two type-I AGN, and a small number of 19 contaminating stars. The targets of the spectroscopic survey are selected primarily on the basis of their photometric redshifts to ensure a broad population coverage. About 500 galaxies have zspec > 2, 48of which have zspec > 4; the highest reliable redshifts reach beyond zspec = 6. This data set approximately doubles the number of galaxies with spectroscopic redshifts at z > 3 in these fields. We discuss the general properties of the VUDS-DR1 sample in terms of the spectroscopic redshift distribution, the distribution of Lyman-α equivalent widths, and physical properties including stellar masses M⋆ and star formation rates derived from spectral energy distribution fitting with the knowledge of zspec. We highlight the properties of the most massive star-forming galaxies, noting the wide range in spectral properties, with Lyman-α in emission or in absorption, and in imaging properties with compact, multi-component, or pair morphologies. We present the catalogue database and data products. All VUDS-DR1 data are publicly available and can be retrieved from a dedicated query-based database. Future VUDS data releases will follow this VUDS-DR1 to give access to the spectra and associated measurement of 8000 objects in the full 1 square degree of the VUDS survey. Based on data obtained with the European Southern Observatory Very Large Telescope, Paranal, Chile, under Large Program 185.A-0791. http://cesam.lam.fr/vuds

A SYSTEMATIC SURVEY OF PROTOCLUSTERS AT z ∼ 3–6 IN THE CFHTLS DEEP FIELDS

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

Toshikawa, Jun; Kashikawa, Nobunari; Furusawa, Hisanori

2016-08-01

We present the discovery of three protoclusters at z ∼ 3–4 with spectroscopic confirmation in the Canada–France–Hawaii Telescope Legacy Survey Deep Fields. In these fields, we investigate the large-scale projected sky distribution of z ∼ 3–6 Lyman-break galaxies and identify 21 protocluster candidates from regions that are overdense at more than 4 σ overdensity significance. Based on cosmological simulations, it is expected that more than 76% of these candidates will evolve into a galaxy cluster of at least a halo mass of 10{sup 14} M {sub ⊙} at z = 0. We perform follow-up spectroscopy for eight of the candidatesmore » using Subaru/FOCAS, Keck II/DEIMOS, and Gemini-N/GMOS. In total we target 462 dropout candidates and obtain 138 spectroscopic redshifts. We confirm three real protoclusters at z = 3–4 with more than five members spectroscopically identified and find one to be an incidental overdense region by mere chance alignment. The other four candidate regions at z ∼ 5–6 require more spectroscopic follow-up in order to be conclusive. A z = 3.67 protocluster, which has 11 spectroscopically confirmed members, shows a remarkable core-like structure composed of a central small region (<0.5 physical Mpc) and an outskirts region (∼1.0 physical Mpc). The Ly α equivalent widths of members of the protocluster are significantly smaller than those of field galaxies at the same redshift, while there is no difference in the UV luminosity distributions. These results imply that some environmental effects start operating as early as at z ∼ 4 along with the growth of the protocluster structure. This study provides an important benchmark for our analysis of protoclusters in the upcoming Subaru/HSC imaging survey and its spectroscopic follow-up with the Subaru/PFS that will detect thousands of protoclusters up to z ∼ 6.« less

A Systematic Survey of Protoclusters at z ~ 3-6 in the CFHTLS Deep Fields

NASA Astrophysics Data System (ADS)

Toshikawa, Jun; Kashikawa, Nobunari; Overzier, Roderik; Malkan, Matthew A.; Furusawa, Hisanori; Ishikawa, Shogo; Onoue, Masafusa; Ota, Kazuaki; Tanaka, Masayuki; Niino, Yuu; Uchiyama, Hisakazu

2016-08-01

We present the discovery of three protoclusters at z ˜ 3-4 with spectroscopic confirmation in the Canada-France-Hawaii Telescope Legacy Survey Deep Fields. In these fields, we investigate the large-scale projected sky distribution of z ˜ 3-6 Lyman-break galaxies and identify 21 protocluster candidates from regions that are overdense at more than 4σ overdensity significance. Based on cosmological simulations, it is expected that more than 76% of these candidates will evolve into a galaxy cluster of at least a halo mass of 1014 M ⊙ at z = 0. We perform follow-up spectroscopy for eight of the candidates using Subaru/FOCAS, Keck II/DEIMOS, and Gemini-N/GMOS. In total we target 462 dropout candidates and obtain 138 spectroscopic redshifts. We confirm three real protoclusters at z = 3-4 with more than five members spectroscopically identified and find one to be an incidental overdense region by mere chance alignment. The other four candidate regions at z ˜ 5-6 require more spectroscopic follow-up in order to be conclusive. A z = 3.67 protocluster, which has 11 spectroscopically confirmed members, shows a remarkable core-like structure composed of a central small region (<0.5 physical Mpc) and an outskirts region (˜1.0 physical Mpc). The Lyα equivalent widths of members of the protocluster are significantly smaller than those of field galaxies at the same redshift, while there is no difference in the UV luminosity distributions. These results imply that some environmental effects start operating as early as at z ˜ 4 along with the growth of the protocluster structure. This study provides an important benchmark for our analysis of protoclusters in the upcoming Subaru/HSC imaging survey and its spectroscopic follow-up with the Subaru/PFS that will detect thousands of protoclusters up to z ˜ 6.

High-Reflectivity Multi-Layer Coatings for the CLASP Sounding Rocket Project

NASA Technical Reports Server (NTRS)

Narukage, Noriyuki; Kano, Ryohei; Bando, Takamasa; Ishikawa, Ryoko; Kubo, Masahito; Katsukawa, Yukio; Ishikawa, Shin-nosuke; Kobiki, Toshihiko; Giono, Gabriel; Auchere, Frederic;

Multimodal fiber-probe spectroscopy for the diagnostics and classification of bladder tumors

NASA Astrophysics Data System (ADS)

Anand, Suresh; Cicchi, Riccardo; Fantechi, Riccardo; Gacci, Mauro; Nesi, Gabriella; Carini, Marco; Pavone, Francesco S.

2017-02-01

The gold standard for the detection of bladder cancer is white light cystoscopy, followed by an invasive biopsy and pathological examination. Tissue pathology is time consuming and often prone to sampling errors. Recently, optical spectroscopy techniques have evolved as promising techniques for the detection of neoplasia. The specific goal of this study is to evaluate the application of combined auto-fluorescence (excited using 378 nm and 445 nm wavelengths) and diffuse reflectance spectroscopy to discriminate normal bladder tissue from tumor at different grades. The fluorescence spectrum at both excitation wavelengths showed an increased spectral intensity in tumors with respect to normal tissues. Reflectance data indicated an increased reflectance in the wavelength range 610 nm - 700 nm for different grades of tumors, compared to normal tissues. The spectral data were further analyzed using principal component analysis for evaluating the sensitivity and specificity for diagnosing tumor. The spectral differences observed between various grades of tumors provides a strong genesis for the future evaluation on a larger patient population to achieve statistical significance. This study indicates that a combined spectroscopic strategy, incorporating fluorescence and reflectance spectroscopy, could improve the capability for diagnosing bladder tumor as well as for differentiating tumors in different grades.

Table and Charts of Equilibrium Normal-shock Properties for Pure Hydrogen with Velocities to 70 km/sec. Revised.

NASA Technical Reports Server (NTRS)

Miller, C. G., III; Wilder, S. E.

1976-01-01

Errors found in the original edition are corrected. Refinement was made in procedures for solving the conservation relations for an incident (moving), standing, and reflected normal shock, as well as in computational methods for determining thermochemical-equilibrium hydrogen properties. A six-species hydrogen model replaces the original four-species model, and the heat of formation and spectroscopic constants used in this six-species model are listed in appendix A. In appendix B, comparisons are made between a number of methods for determining equilibrium thermodynamic properties for hydrogen for several values of pressure and temperatures to 50000 K. A comparison is also performed between the present method and a second method for determining thermodynamic properties and flow velocity behind an incident shock into pure hydrogen and behind a reflected shock.

Controlling plasmonic properties of epitaxial thin films of indium tin oxide in the near-infrared region

NASA Astrophysics Data System (ADS)

Kamakura, R.; Fujita, K.; Murai, S.; Tanaka, K.

2015-06-01

Epitaxial thin films of indium tin oxide (ITO) were grown on yttria-stabilized zirconia single-crystal substrates by using a pulsed laser deposition to examine their plasmonic properties. The dielectric function of ITO was characterized by spectroscopic ellipsometry. Through the concentration of SnO2 in the target, the carrier concentration in the films was modified, which directly leads to the tuning of the dielectric function in the near-infrared region. Variable-angle reflectance spectroscopy in the Kretschmann geometry shows the dip in the reflection spectrum of p-polarized light corresponding to the excitation of surface plasmon polaritions (SPPs) in the near-infrared region. The excitation wavelength of the SPPs was shifted with changing the dielectric functions of ITO, which is reproduced by the calculation using transfer matrix method.

Design and fabrication of SiO2/TiO2 and MgO/TiO2 based high selective optical filters for diffuse reflectance and fluorescence signals extraction

PubMed Central

Pimenta, S.; Cardoso, S.; Miranda, A.; De Beule, P.; Castanheira, E.M.S.; Minas, G.

2015-01-01

This paper presents the design, optimization and fabrication of 16 MgO/TiO2 and SiO2/TiO2 based high selective narrow bandpass optical filters. Their performance to extract diffuse reflectance and fluorescence signals from gastrointestinal tissue phantoms was successfully evaluated. The obtained results prove their feasibility to correctly extract those spectroscopic signals, through a Spearman’s rank correlation test (Spearman’s correlation coefficient higher than 0.981) performed between the original spectra and the ones obtained using those 16 fabricated optical filters. These results are an important step for the implementation of a miniaturized, low-cost and minimal invasive microsystem that could help in the detection of gastrointestinal dysplasia. PMID:26309769

Mars residual north polar cap - Earth-based spectroscopic confirmation of water ice as a major constituent and evidence for hydrated minerals

NASA Technical Reports Server (NTRS)

Clark, R. N.; Mccord, T. B.

1982-01-01

A description is presented of new earth-based reflectance spectra of the Martian north residual polar cap. The spectra indicate that the composition is at least mostly water ice plus another component with a 'gray' reflectance. The other minerals in the ice cap appear to be hydrated. The data were obtained with a cooled circular variable filter spectrometer on February 20, 1978, using the 2.2-m telescope on Mauna Kea, Hawaii. It is pointed out that the identification of water ice in the north polar cap alone does not indicate that water makes up all or even most of the bulk of the cap. Kieffer (1970) has shown that a small amount of water will mask the spectral features of CO2.

Optical, dielectric and morphological studies of sol-gel derived nanocrystalline TiO2 films.

PubMed

Vishwas, M; Sharma, Sudhir Kumar; Narasimha Rao, K; Mohan, S; Gowda, K V Arjuna; Chakradhar, R P S

2009-10-15

Nanocrystalline TiO(2) films have been synthesized on glass and silicon substrates by sol-gel technique. The films have been characterized with optical reflectance/transmittance in the wavelength range 300-1000 nm and the optical constants (n, k) were estimated by using envelope technique as well as spectroscopic ellipsometry. Morphological studies have been carried out using atomic force microscope (AFM). Metal-Oxide-Silicon (MOS) capacitor was fabricated using conducting coating on TiO(2) film deposited on silicon. The C-V measurements show that the film annealed at 300 degrees C has a dielectric constant of 19.80. The high percentage of transmittance, low surface roughness and high dielectric constant suggests that it can be used as an efficient anti-reflection coating on silicon and other optical coating applications and also as a MOS capacitor.

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

High efficiency spectrographs for the EUV and soft X-rays

NASA Technical Reports Server (NTRS)

Cash, W.

1983-01-01

The use of grazing incidence optics and reflection grating designs is shown to be a method that improves the performance of spectrographs at wavelengths shorter than 1200 A. Emphasis is laid on spectroscopic designs for X ray and EUV astronomy, with sample designs for an objective reflection grating spectrograph (ORGS) and an echelle spectrograph for wavelengths longer than 100 A. Conical diffraction allows operations at grazing incidence in the echelle spectrograph. In ORGS, the extreme distance of X ray objects aids in collimating the source radiation, which encounters conical diffraction within the instrument, proceeds parallel to the optical axis, and arrives at the detector. A series of gratings is used to achieve the effect. A grazing echelle is employed for EUV observations, and offers a resolution of 20,000 over a 300 A bandpass.

Study on Hyperspectral Estimation Model of Total Nitrogen Content in Soil of Shaanxi Province

NASA Astrophysics Data System (ADS)

Liu, Jinbao; Dong, Zhenyu; Chen, Xi

2018-01-01

The development of hyperspectral remote sensing technology has been widely used in soil nutrient prediction. The soil is the representative soil type in Shaanxi Province. In this study, the soil total nitrogen content in Shaanxi soil was used as the research target, and the soil samples were measured by reflectance spectroscopy using ASD method. Pre-treatment, the first order differential, second order differential and reflectance logarithmic transformation of the reflected spectrum after pre-treatment, and the hyperspectral estimation model is established by using the least squares regression method and the principal component regression method. The results show that the correlation between the reflectance spectrum and the total nitrogen content of the soil is significantly improved. The correlation coefficient between the original reflectance and soil total nitrogen content is in the range of 350 ~ 2500nm. The correlation coefficient of soil total nitrogen content and first deviation of reflectance is more than 0.5 at 142nm, 1963nm, 2204nm and 2307nm, the second deviation has a significant positive correlation at 1114nm, 1470nm, 1967nm, 2372nm and 2402nm, respectively. After the reciprocal logarithmic transformation of the reflectance with the total nitrogen content of the correlation analysis found that the effect is not obvious. Rc2 = 0.7102, RMSEC = 0.0788; Rv2 = 0.8480, RMSEP = 0.0663, which can achieve the rapid prediction of the total nitrogen content in the region. The results show that the principal component regression model is the best.

Lanthanide and transition metal complexes of bioactive coumarins: molecular modeling and spectroscopic studies.

PubMed

Georgieva, I; Mihaylov, Tz; Trendafilova, N

2014-06-01

The present paper summarizes theoretical and spectroscopic investigations on a series of active coumarins and their lanthanide and transition metal complexes with application in medicine and pharmacy. Molecular modeling as well as IR, Raman, NMR and electronic spectral simulations at different levels of theory were performed to obtain important molecular descriptors: total energy, formation energy, binding energy, stability, conformations, structural parameters, electron density distribution, molecular electrostatic potential, Fukui functions, atomic charges, and reactive indexes. The computations are performed both in gas phase and in solution with consideration of the solvent effect on the molecular structural and energetic parameters. The investigations have shown that the advanced computational methods are reliable for prediction of the metal-coumarin binding mode, electron density distribution, thermodynamic properties as well as the strength and nature of the metal-coumarin interaction (not experimentally accessible) and correctly interpret the experimental spectroscopic data. Known results from biological tests for cytotoxic, antimicrobial, anti-fungal, spasmolytic and anti-HIV activities on the studied metal complexes are reported and discussed. Copyright © 2014 Elsevier Inc. All rights reserved.

VizieR Online Data Catalog: Velocities in the A2345 cluster (Boschin+, 2010)

NASA Astrophysics Data System (ADS)

Boschin, W.; Barrena, R.; Girardi, M.

2011-08-01

Multi-object spectroscopic observations of A2345 were carried out at the TNG telescope in August 2008. We used DOLORES/MOS with the LR-B Grism 1, yielding a dispersion of 187Å/mm. We used the new E2V CCD, a matrix of 2048x2048 pixels with a pixel size of 13.5um. In total we observed four MOS masks for a total of 147 slits. Total exposure times were of 1h for three masks and 1.5h for the remaining mask. (1 data file).

Method and apparatus for simultaneous spectroelectrochemical analysis

DOEpatents

Chatterjee, Sayandev; Bryan, Samuel A; Schroll, Cynthia A; Heineman, William R

2013-11-19

An apparatus and method of simultaneous spectroelectrochemical analysis is disclosed. A transparent surface is provided. An analyte solution on the transparent surface is contacted with a working electrode and at least one other electrode. Light from a light source is focused on either a surface of the working electrode or the analyte solution. The light reflected from either the surface of the working electrode or the analyte solution is detected. The potential of the working electrode is adjusted, and spectroscopic changes of the analyte solution that occur with changes in thermodynamic potentials are monitored.

Spectroscopic Properties and Laser Performance of Resonantly-Pumped Cryo-Cooled Er3+:GdVO4

DTIC Science & Technology

2012-03-12

measured at 77 K. The results for the entire temperature range of 77-300K, presented in Fig. 2(a), were consistent with those measured by Bertini et al ...also consistent with that reported by Bertini et al [15]. 3. Cryogenic laser experiments Laser experiments were carried out on an anti-reflection...Dinndorf, J. A. Beattie, and E. P. Chicklis, “A 400 W cryogenic Er:YAG slab laser at 1645 nm,” Proc. SPIE 7686, 76860C, C7 ( 2010 ). 2. N. Ter

THE MILKY WAY HAS NO DISTINCT THICK DISK

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

Bovy, Jo; Rix, Hans-Walter; Hogg, David W., E-mail: bovy@ias.edu

2012-06-01

Different stellar sub-populations of the Milky Way's stellar disk are known to have different vertical scale heights, their thickness increasing with age. Using SEGUE spectroscopic survey data, we have recently shown that mono-abundance sub-populations, defined in the [{alpha}/Fe]-[Fe/H] space, are well described by single-exponential spatial-density profiles in both the radial and the vertical direction; therefore, any star of a given abundance is clearly associated with a sub-population of scale height h{sub z} . Here, we work out how to determine the stellar surface-mass density contributions at the solar radius R{sub 0} of each such sub-population, accounting for the survey selectionmore » function, and for the fraction of the stellar population mass that is reflected in the spectroscopic target stars given populations of different abundances and their presumed age distributions. Taken together, this enables us to derive {Sigma}{sub R{sub 0}}(h{sub z}), the surface-mass contributions of stellar populations with scale height h{sub z} . Surprisingly, we find no hint of a thin-thick disk bi-modality in this mass-weighted scale-height distribution, but a smoothly decreasing function, approximately {Sigma}{sub R{sub 0}}(h{sub z}){proportional_to} exp(-h{sub z}), from h{sub z} Almost-Equal-To 200 pc to h{sub z} Almost-Equal-To 1 kpc. As h{sub z} is ultimately the structurally defining property of a thin or thick disk, this shows clearly that the Milky Way has a continuous and monotonic distribution of disk thicknesses: there is no 'thick disk' sensibly characterized as a distinct component. We discuss how our result is consistent with evidence for seeming bi-modality in purely geometric disk decompositions or chemical abundances analyses. We constrain the total visible stellar surface-mass density at the solar radius to be {Sigma}{sub R{sub 0}}* = 30 {+-} 1 M{sub Sun} pc{sup -2}.« less

Structural-conformational aspects of tRNA complexation with chloroethyl nitrosourea derivatives: A molecular modeling and spectroscopic investigation.

PubMed

Agarwal, Shweta; Tyagi, Gunjan; Chadha, Deepti; Mehrotra, Ranjana

2017-01-01

Chloroethyl nitrosourea derivatives (CENUs) represent an important family of anticancer chemotherapeutic agents, which are used in the treatment of different types of cancer such as brain tumors, resistant or relapsed Hodgkin's disease, small cell lung cancer and malignant melanoma. This work focuses towards understanding the interaction of chloroethyl nitrosourea derivatives; lomustine, nimustine and semustine with tRNA using spectroscopic approach in order to elucidate their auxiliary anticancer action mechanism inside the cell. Attenuated total reflection-Fourier transform infrared spectroscopy (ATR-FTIR), Fourier transform infrared difference spectroscopy, circular dichroism spectroscopy and UV-visible spectroscopy were employed to investigate the binding parameters of tRNA-CENUs complexation. Results of present study demonstrate that all CENUs, studied here, interact with tRNA through guanine nitrogenous base residues and possibly further crosslink cytosine residues in paired region of tRNA. Moreover, spectral data collected for nimustine-tRNA and semustine-tRNA complex formation indicates towards the groove-directed-alkylation as their anti-malignant action, which involves the participation of uracil moiety located in major groove of tRNA. Besides this, tRNA-CENUs adduct formation did not alter the native conformation of biopolymer and tRNA remains in A-form after its interaction with all three nitrosourea derivatives studied. The binding constants (K a ) estimated for tRNA complexation with lomustine, nimustine and semustine are 2.55×10 2 M -1 , 4.923×10 2 M -1 and 4.223×10 2 M -1 respectively, which specify weak type of CENU's binding with tRNA. Moreover, molecular modeling simulations were also performed to predict preferential binding orientation of CENUs with tRNA that corroborates well with spectral outcomes. The findings, presented here, recognize tRNA binding properties of CENUs that can further help in rational designing of more specific and efficient RNA targeted chemotherapeutic agents. Copyright © 2016 Elsevier B.V. All rights reserved.

Acid-base titrations of functional groups on the surface of the thermophilic bacterium Anoxybacillus flavithermus: comparing a chemical equilibrium model with ATR-IR spectroscopic data.

PubMed

Heinrich, Hannah T M; Bremer, Phil J; Daughney, Christopher J; McQuillan, A James

2007-02-27

Acid-base functional groups at the surface of Anoxybacillus flavithermus (AF) were assigned from the modeling of batch titration data of bacterial suspensions and compared with those determined from in situ infrared spectroscopic titration analysis. The computer program FITMOD was used to generate a two-site Donnan model (site 1: pKa = 3.26, wet concn = 2.46 x 10(-4) mol g(-1); site 2: pKa = 6.12, wet concn = 6.55 x 10(-5) mol g(-1)), which was able to describe data for whole exponential phase cells from both batch acid-base titrations at 0.01 M ionic strength and electrophoretic mobility measurements over a range of different pH values and ionic strengths. In agreement with information on the composition of bacterial cell walls and a considerable body of modeling literature, site 1 of the model was assigned to carboxyl groups, and site 2 was assigned to amino groups. pH difference IR spectra acquired by in situ attenuated total reflection infrared (ATR-IR) spectroscopy confirmed the presence of carboxyl groups. The spectra appear to show a carboxyl pKa in the 3.3-4.0 range. Further peaks were assigned to phosphodiester groups, which deprotonated at slightly lower pH. The presence of amino groups could not be confirmed or discounted by IR spectroscopy, but a positively charged group corresponding to site 2 was implicated by electrophoretic mobility data. Carboxyl group speciation over a pH range of 2.3-10.3 at two different ionic strengths was further compared to modeling predictions. While model predictions were strongly influenced by the ionic strength change, pH difference IR data showed no significant change. This meant that modeling predictions agreed reasonably well with the IR data for 0.5 M ionic strength but not for 0.01 M ionic strength.

Effects of Tetrafluoroborate and Bis(trifluoromethylsulfonyl)amide Anions on the Microscopic Structures of 1-Methyl-3-octylimidazolium-Based Ionic Liquids and Benzene Mixtures: A Multiple Approach by ATR-IR, NMR, and Femtosecond Raman-Induced Kerr Effect Spectroscopy.

PubMed

Shirota, Hideaki; Kakinuma, Shohei; Itoyama, Yu; Umecky, Tatsuya; Takamuku, Toshiyuki

2016-01-28

The microscopic aspects of the two series of mixtures of 1-methyl-3-octylimidazolium tetrafluoroborate ([MOIm][BF4])-benzene and 1-methyl-3-octylimidazolium bis(trifluoromethylsulfonyl)amide ([MOIm][NTf2])-benzene were investigated by several spectroscopic techniques such as attenuated total reflectance IR (ATR-IR), NMR, and fs-Raman-induced Kerr effect spectroscopy (fs-RIKES). All three different spectroscopic results indicate that the anions more strongly interact with the cations in the [MOIm][BF4]-benzene mixtures than in the [MOIm][NTf2]-benzene mixtures. This also explains the different miscibility features between the two mixture systems well. The xC6H6 dependences of the chemical shifts and the C-H out-of-plane bending mode of benzene are similar: the changes are large in the high benzene concentration (xC6H6 > ∼ 0.6) compared to the low benzene concentration. In contrast, the linear xC6H6 dependences of the first moments of the low-frequency spectra less than 200 cm(-1) were observed in both the [MOIm][BF4]-benzene and [MOIm][NTf2]-benzene systems. The difference in the xC6H6 dependent features between the chemical shifts and intramolecular vibrational mode and the intermolecular/interionic vibrational bands might come from the different probing space scales. The traces of the parallel aromatic ring structure and the T-shape structure were found in the ATR-IR and NMR experiments, but fs-RIKES did not observe a clear trace of the local structure. This might imply that the interactions between the imidazolium and benzene rings are not strong enough to librate the imidazolium and benzene rings together. The bulk properties, such as miscibility, density, viscosity, and surface tension, of the two ionic liquid-benzene mixture series were also compared to the microscopic aspects.

Characteristics of nanocomposites and semiconductor heterostructure wafers using THz spectroscopy

NASA Astrophysics Data System (ADS)

Altan, Hakan

All optical, THz-Time Domain Spectroscopic (THz-TDS) methods were employed towards determining the electrical characteristics of Single Walled Carbon Nanotubes, Ion Implanted Si nanoclusters and Si1-xGe x, HFO2, SiO2 on p-type Si wafers. For the nanoscale composite materials, Visible Pump/THz Probe spectroscopy measurements were performed after observing that the samples were not sensitive to the THz radiation alone. The results suggest that the photoexcited nanotubes exhibit localized transport due to Lorentz-type photo-induced localized states from 0.2 to 0.7THz. The THz transmission is modeled through the photoexcited layer with an effective dielectric constant described by a Drude + Lorentz model and given by Maxwell-Garnett theory. Comparisons are made with other prevalent theories that describe electronic transport. Similar experiments were repeated for ion-implanted, 3-4nm Si nanoclusters in fused silica for which a similar behavior was observed. In addition, a change in reflection from Si1-xGex on Si, 200mm diameter semiconductor heterostructure wafers with 10% or 15% Ge content, was measured using THz-TDS methods. Drude model is utilized for the transmission/reflection measurements and from the reflection data the mobility of each wafer is estimated. Furthermore, the effect of high-kappa dielectric material (HfO2) on the electrical properties of p-type silicon wafers was characterized by utilizing non-contact, differential (pump-pump off) spectroscopic methods to differ between HfO2 and SiO 2 on Si wafers. The measurements are analyzed in two distinct transmission models, where one is an exact representation of the layered structure for each wafer and the other assumed that the response observed from the differential THz transmission was solely due to effects from interfacial traps between the dielectric layer and the substrate. The latter gave a more accurate picture of the carrier dynamics. From these measurements the effect of interfacial defects on transmission and mobility are quantitatively discussed.

VizieR Online Data Catalog: Velocities in ZwCl2341.1+0000 field (Boschin+, 2013)

NASA Astrophysics Data System (ADS)

Boschin, W.; Girardi, M.; Barrena, R.

2014-07-01

Multi-object spectroscopic observations of ZwCl 2341+00 were carried out at the TNG in 2009 October, 2011 August and 2011 December. We used the instrument Device Optimized for the Low Resolution (DOLORES) in multi-object spectroscopy (MOS) mode with the LR-B Grism. In summary, we observed four MOS masks for a total of 142 slits. The total exposure time was 3600s for three masks and 5400s for the last one. (1 data file).

VizieR Online Data Catalog: Velocity catalog of A545 galaxies (Barrena+, 2011)

NASA Astrophysics Data System (ADS)

Barrena, R.; Girardi, M.; Boschin, W.; de Grandi, S.; Eckert, D.; Rossetti, M.

2011-08-01

Multi-object spectroscopic observations of A545 were carried out at the TNG telescope in October 2009. We used DOLORES/MOS with the LR-B Grism 1, yielding a dispersion of 187Å/mm. We used the new 2048x2048pixels E2V CCD, with a pixel size of 13.5um. In total, we observed 4 MOS masks for a total of 142 slits. We acquired three exposures of 1200s for each mask. (1 data file).

Spectroscopic and Photometric Observations of a Five-Magnitude Flare Event on UV Ceti

DTIC Science & Technology

1992-05-12

bremsstrahlung spectrum. The energy emitted by the flare in the U band is approxi- mately 5.OX 10oi ergs. The corresotonding total flare energy in white !ight is...temporal resolutions. A strong violet continuum is seen which cannot be reproduced solely with a thermal bremsstrahlung spectrum. The energy emitted by...the flare in the U band is approxi- mately 5.0 X 1031 ergs. The corresponding total flare energy in white light is estimated to be 1.2X 1032 ergs

Differentiating pediatric epileptic brain tissue from normal brain tissue by using time-dependent diffuse reflectance spectroscopy in vivo: comprehensive data analysis method in the time domain

NASA Astrophysics Data System (ADS)

Oh, Sanghoon; Fernald, Bradley; Bhatia, Sanjiv; Ragheb, John; Sandberg, David; Johnson, Mahlon; Lin, Wei-Chiang

2009-05-01

This research investigated the feasibility of using time-dependent diffuse reflectance spectroscopy to differentiate pediatric epileptic brain tissue from normal brain tissue. The optical spectroscopic technique monitored the dynamic optical properties of the cerebral cortex that are associated with its physiological, morphological, and compositional characteristics. Due to the transient irregular epileptic discharge activity within the epileptic brain tissue it was hypothesized that the lesion would express abnormal dynamic optical behavior that would alter normal dynamic behavior. Thirteen pediatric epilepsy patients and seven pediatric brain tumor patients (normal controls) were recruited for this clinical study. Dynamic optical properties were obtained from the cortical surface intraoperatively using a timedependent diffuse reflectance spectroscopy system. This system consisted of a fiber-optic probe, a tungsten-halogen light source, and a spectrophotometer. It acquired diffuse reflectance spectra with a spectral range of 204 nm to 932 nm at a rate of 33 spectra per second for approximately 12 seconds. Biopsy samples were taken from electrophysiologically abnormal cortex and evaluated by a neuropathologist, which served as a gold standard for lesion classification. For data analysis, spectral intensity changes of diffuse reflectance in the time domain at two different wavelengths from each investigated site were compared. Negative correlation segment, defined by the periods where the intensity changes at the two wavelengths were opposite in their slope polarity, were extracted. The total duration of negative correlation, referred to as the "negative correlation time index", was calculated by integrating the negative correlation segments. The negative correlation time indices from all investigated sites were sub-grouped according to the corresponding histological classifications. The difference between the mean indices of two subgroups was evaluated by standard t-test. These comparison and calculation procedures were carried out for all possible wavelength combinations between 400 nm and 800 nm with 2 nm increments. The positive group consisted of seven pathologically abnormal test sites, and the negative group consisted of 13 normal test sites from non-epileptic tumor patients. A standard t-test showed significant difference between negative correlation time indices from the two groups at the wavelength combinations of 700-760 nm versus 550-580 nm. An empirical discrimination algorithm based on the negative correlation time indices in this range produced 100% sensitivity and 85% specificity. Based on these results time-dependent diffuse reflectance spectroscopy with optimized data analysis methods differentiates epileptic brain tissue from normal brain tissue adequately, therefore can be utilized for surgical guidance, and may enhance the surgical outcome of pediatric epilepsy surgery.

The MUSE Hubble Ultra Deep Field Survey. II. Spectroscopic redshifts and comparisons to color selections of high-redshift galaxies

NASA Astrophysics Data System (ADS)

Inami, H.; Bacon, R.; Brinchmann, J.; Richard, J.; Contini, T.; Conseil, S.; Hamer, S.; Akhlaghi, M.; Bouché, N.; Clément, B.; Desprez, G.; Drake, A. B.; Hashimoto, T.; Leclercq, F.; Maseda, M.; Michel-Dansac, L.; Paalvast, M.; Tresse, L.; Ventou, E.; Kollatschny, W.; Boogaard, L. A.; Finley, H.; Marino, R. A.; Schaye, J.; Wisotzki, L.

2017-11-01

We have conducted a two-layered spectroscopic survey (1' × 1' ultra deep and 3' × 3' deep regions) in the Hubble Ultra Deep Field (HUDF) with the Multi Unit Spectroscopic Explorer (MUSE). The combination of a large field of view, high sensitivity, and wide wavelength coverage provides an order of magnitude improvement in spectroscopically confirmed redshifts in the HUDF; i.e., 1206 secure spectroscopic redshifts for Hubble Space Telescope (HST) continuum selected objects, which corresponds to 15% of the total (7904). The redshift distribution extends well beyond z> 3 and to HST/F775W magnitudes as faint as ≈ 30 mag (AB, 1σ). In addition, 132 secure redshifts were obtained for sources with no HST counterparts that were discovered in the MUSE data cubes by a blind search for emission-line features. In total, we present 1338 high quality redshifts, which is a factor of eight increase compared with the previously known spectroscopic redshifts in the same field. We assessed redshifts mainly with the spectral features [O II] at z< 1.5 (473 objects) and Lyα at 2.9

Towards automated spectroscopic tissue classification in thyroid and parathyroid surgery.

PubMed

Schols, Rutger M; Alic, Lejla; Wieringa, Fokko P; Bouvy, Nicole D; Stassen, Laurents P S

2017-03-01

In (para-)thyroid surgery iatrogenic parathyroid injury should be prevented. To aid the surgeons' eye, a camera system enabling parathyroid-specific image enhancement would be useful. Hyperspectral camera technology might work, provided that the spectral signature of parathyroid tissue offers enough specific features to be reliably and automatically distinguished from surrounding tissues. As a first step to investigate this, we examined the feasibility of wide band diffuse reflectance spectroscopy (DRS) for automated spectroscopic tissue classification, using silicon (Si) and indium-gallium-arsenide (InGaAs) sensors. DRS (350-1830 nm) was performed during (para-)thyroid resections. From the acquired spectra 36 features at predefined wavelengths were extracted. The best features for classification of parathyroid from adipose or thyroid were assessed by binary logistic regression for Si- and InGaAs-sensor ranges. Classification performance was evaluated by leave-one-out cross-validation. In 19 patients 299 spectra were recorded (62 tissue sites: thyroid = 23, parathyroid = 21, adipose = 18). Classification accuracy of parathyroid-adipose was, respectively, 79% (Si), 82% (InGaAs) and 97% (Si/InGaAs combined). Parathyroid-thyroid classification accuracies were 80% (Si), 75% (InGaAs), 82% (Si/InGaAs combined). Si and InGaAs sensors are fairly accurate for automated spectroscopic classification of parathyroid, adipose and thyroid tissues. Combination of both sensor technologies improves accuracy. Follow-up research, aimed towards hyperspectral imaging seems justified. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Diffusion tensor spectroscopic imaging of the human brain in children and adults.

PubMed

Fotso, Kevin; Dager, Stephen R; Landow, Alec; Ackley, Elena; Myers, Orrin; Dixon, Mindy; Shaw, Dennis; Corrigan, Neva M; Posse, Stefan

2017-10-01

We developed diffusion tensor spectroscopic imaging (DTSI), based on proton-echo-planar-spectroscopic imaging (PEPSI), and evaluated the feasibility of mapping brain metabolite diffusion in adults and children. PRESS prelocalized DTSI at 3 Tesla (T) was performed using navigator-based correction of movement-related phase errors and cardiac gating with compensation for repetition time (TR) related variability in T 1 saturation. Mean diffusivity (MD) and fractional anisotropy (FA) of total N-acetyl-aspartate (tNAA), total creatine (tCr), and total choline (tCho) were measured in eight adults (17-60 years) and 10 children (3-24 months) using b max  = 1734 s/mm 2 , 1 cc and 4.5 cc voxel sizes, with nominal scan times of 17 min and 8:24 min. Residual movement-related phase encoding ghosting (PEG) was used as a regressor across scans to correct overestimation of MD. After correction for PEG, metabolite slice-averaged MD estimated at 20% PEG were lower (P < 0.042) for adults (0.17/0.20/0.18 × 10 -3 mm 2 /s) than for children (0.26/0.27/0.24 × 10 -3 mm 2 /s). Extrapolated to 0% PEG, the MD estimates decreased further (0.09/0.11/0.11 × 10 -3 mm 2 /s versus 0.15/0.16/0.15 × 10 -3 mm 2 /s). Slice-averaged FA of tNAA (P = 0.049), tCr (P = 0.067), and tCho (P = 0.003) were higher in children. This high-speed DTSI approach with PEG regression allows for estimation of metabolite MD and FA with improved tolerance to movement. Our preliminary data suggesting age-related changes support DTSI as a sensitive technique for investigating intracellular markers of biological processes. Magn Reson Med 78:1246-1256, 2017. © 2016 International Society for Magnetic Resonance in Medicine. © 2016 International Society for Magnetic Resonance in Medicine.

An Arduino-based experiment designed to clarify the transition to total internal reflection

NASA Astrophysics Data System (ADS)

Atkin, Keith

2018-03-01

The topic of refraction and reflection of light at the boundary of transparent media is a fundamentally important one. The special case of total internal reflection is however commonly misrepresented in elementary textbooks. This paper addresses the problem and describes an experimental procedure for measuring and displaying reflected and transmitted light intensities using readily available components and the Arduino microcontroller.

What Else Did V. M. Slipher Do?

NASA Astrophysics Data System (ADS)

Tenn, J. S.

2013-04-01

When V. M. Slipher gave the 1933 George Darwin lecture to the Royal Astronomical Society, it was natural that he spoke on spectrographic studies of planets. Less than one-sixth of his published work deals with globular clusters and the objects we now call galaxies. In his most productive years, when he had Percival Lowell to give him direction, Slipher made major discoveries regarding stars, galactic nebulae, and solar system objects. These included the first spectroscopic measurement of the rotation period of Uranus, evidence that Venus's rotation is very slow, the existence of reflection nebulae and hence interstellar dust, and the stationary lines that prove the existence of interstellar calcium and sodium. After Lowell's death in 1916 Slipher continued making spectroscopic observations of planets, comets, and the aurora and night sky. He directed the Lowell Observatory from 1916 to 1954, where his greatest achievements were keeping the observatory running despite very limited staff and budget, and initiating and supervising the “successful” search for Lowell's Planet X. However, he did little science in his last decades, spending most of his time and energy on business endeavors.

Distinguishing polymorphs of the semiconducting pigment copper phthalocyanine by solid-state NMR and Raman spectroscopy.

PubMed

Shaibat, Medhat A; Casabianca, Leah B; Siberio-Pérez, Diana Y; Matzger, Adam J; Ishii, Yoshitaka

2010-04-08

Cu(II)(phthalocyanine) (CuPc) is broadly utilized as an archetypal molecular semiconductor and is the most widely used blue printing pigment. CuPc crystallizes in six different forms; the chemical and physical properties are substantially modulated by its molecular packing among these polymorphs. Despite the growing importance of this system, spectroscopic identification of different polymorphs for CuPc has posed difficulties. This study presents the first example of spectroscopic distinction of alpha- and beta-forms of CuPc, the most widely used polymorphs, by solid-state NMR (SSNMR) and Raman spectroscopy. (13)C high-resolution SSNMR spectra of alpha- and beta-CuPc using very-fast magic angle spinning (VFMAS) at 20 kHz show that hyperfine shifts sensitively reflect polymorphs of CuPc. The experimental results were confirmed by ab initio chemical shift calculations. (13)C and (1)H SSNMR relaxation times of alpha- and beta-CuPc under VFMAS also showed marked differences, presumably because of the difference in electronic spin correlation times in the two forms. Raman spectroscopy also provided another reliable method of differentiation between the two polymorphs.

Influence of polymolybdate adsorbates on electrooxidation of ethanol at PtRu nanoparticles: Combined electrochemical, mass spectrometric and X-ray photoelectron spectroscopic studies

NASA Astrophysics Data System (ADS)

Gralec, Barbara; Lewera, Adam; Kulesza, Pawel J.

2016-05-01

The role Keggin-type phosphomolybdate (PMo12O403-) ions (adsorbed on carbon-supported PtRu, PtRu/C) on electrooxidation of ethanol is addressed here. The combined results obtained using Differential Electrochemical Mass Spectrometry, X-ray Photoelectron Spectroscopy and Cyclic Voltammetry are consistent with the view that presence of the Keggin-type polyoxometallate, phosphomolybdate, ions (adsorbates) leads to enlargement of the current densities associated with electrooxidation of ethanol at potentials greater than 700 mV vs. RHE. This increase of the anodic currents is correlated with the higher acetaldehyde yield which is likely to reflect changes in the reaction kinetics (e.g. more dynamic dehydrogenation of ethanol leading to acetaldehyde) or in the reaction mechanism defined by the preferential surface modification resulting not only in faster kinetics but also in higher selectivity with respect to acetaldehyde production. It is apparent from the spectroscopic data that modification of PtRu/C nanoparticles with phosphomolybdate ions leads to suppression of the formation of Ru surface oxides.

Wavelength selection method with standard deviation: application to pulse oximetry.

PubMed

Vazquez-Jaccaud, Camille; Paez, Gonzalo; Strojnik, Marija

2011-07-01

Near-infrared spectroscopy provides useful biological information after the radiation has penetrated through the tissue, within the therapeutic window. One of the significant shortcomings of the current applications of spectroscopic techniques to a live subject is that the subject may be uncooperative and the sample undergoes significant temporal variations, due to his health status that, from radiometric point of view, introduce measurement noise. We describe a novel wavelength selection method for monitoring, based on a standard deviation map, that allows low-noise sensitivity. It may be used with spectral transillumination, transmission, or reflection signals, including those corrupted by noise and unavoidable temporal effects. We apply it to the selection of two wavelengths for the case of pulse oximetry. Using spectroscopic data, we generate a map of standard deviation that we propose as a figure-of-merit in the presence of the noise introduced by the living subject. Even in the presence of diverse sources of noise, we identify four wavelength domains with standard deviation, minimally sensitive to temporal noise, and two wavelengths domains with low sensitivity to temporal noise.

Oral cancer detection based on fluorescence polarization of blood plasma at excitation wavelength 405 nm

NASA Astrophysics Data System (ADS)

Pachaiappan, Rekha; Prakasarao, Aruna; Manoharan, Yuvaraj; Dornadula, Koteeswaran; Singaravelu, Ganesan

2017-02-01

During metabolism the metabolites such as hormones, proteins and enzymes were released in to the blood stream by the cells. These metabolites reflect any change that occurs due to any disturbances in normal metabolic function of the human system. This was well observed with the altered spectral signatures observed with fluorescence spectroscopic technique. Previously many have reported on the significance of native fluorescence spectroscopic method in the diagnosis of cancer. As fluorescence spectroscopy is sensitive and simple, it has complementary techniques such as excitation-emission matrix, synchronous and polarization. The fluorescence polarization measurement provides details about any association or binding reactions and denaturing effects that occurs due to change in the micro environment of cells and tissues. In this study, we have made an attempt in the diagnosis of oral cancer at 405 nm excitation using fluorescence polarization measurement. The fluorescence anisotropic values calculated from polarized fluorescence spectral data of normal and oral cancer subjects yielded a good accuracy when analyzed with linear discriminant analysis based artificial neural network. The results will be discussed in detail.

The Spectroscopic Ages of Passive Galaxies in a z=1.62 Protocluster

NASA Astrophysics Data System (ADS)

Lee-Brown, Donald

2017-07-01

IRC 0218 is a protocluster at z = 1.62 with a wealth of observations that make it an ideal target for resolving the interplay between galaxy properties and environment at high redshift. We have used extremely deep HST spectroscopic data to derive unambiguous membership and stellar ages via the 4000 angstrom break for 14 members with stellar masses log(M) > 10.2. We find that at high stellar masses, log(M) > 10.85, the fraction of quiescent galaxies in the cluster is 2× higher than the field value. At lower stellar masses, the protocluster and field have consistent quiescent fractions. Despite this mass trend, we see no comparable relation between galaxy stellar age and mass for the quiescent members. Taken together, these results may reflect the impact of dry mergers on the protocluster galaxies. Alternately, the results may imply that the mass trend we observe in the IRC 0218 quiescent fraction was imprinted over a short timescale. This talk will place our results in the context of studies of other high redshift clusters and likely descendent environments at z = 1.

Frequency selective reflection and transmission at a layer composed of a periodic dielectric

NASA Technical Reports Server (NTRS)

Bertoni, Henry L.; Cheo, Li-Hsiang S.; Tamir, Theodor

1987-01-01

The feasibility of using a periodic dielectric layer, composed of alternating bars having dielectric constants epsilon sub 1 and epsilon sub 2, as a frequency selective subreflector in order to permit feed separation in large aperture reflecting antenna systems was examined. For oblique incidence, it is found that total transmission and total reflection can be obtained at different frequencies for proper choices of epsilon sub 1, epsilon 2, and the geometric parameters. The frequencies of total reflection and transmission can be estimated from wave phenomena occurring in a layer of uniform dielectric constant equal to the average for the periodic layers. About some of the frequencies of total transmission, the bandwidth for 90% transmission is found to be 40%. However, the bandwidth for 90% reflection is always found to be much narrower; the greatest value found being 2.5%.

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.

Hyperspectral optical imaging of human iris in vivo: characteristics of reflectance spectra

NASA Astrophysics Data System (ADS)

Medina, José M.; Pereira, Luís M.; Correia, Hélder T.; Nascimento, Sérgio M. C.

2011-07-01

We report a hyperspectral imaging system to measure the reflectance spectra of real human irises with high spatial resolution. A set of ocular prosthesis was used as the control condition. Reflectance data were decorrelated by the principal-component analysis. The main conclusion is that spectral complexity of the human iris is considerable: between 9 and 11 principal components are necessary to account for 99% of the cumulative variance in human irises. Correcting image misalignments associated with spontaneous ocular movements did not influence this result. The data also suggests a correlation between the first principal component and different levels of melanin present in the irises. It was also found that although the spectral characteristics of the first five principal components were not affected by the radial and angular position of the selected iridal areas, they affect the higher-order ones, suggesting a possible influence of the iris texture. The results show that hyperspectral imaging in the iris, together with adequate spectroscopic analyses provide more information than conventional colorimetric methods, making hyperspectral imaging suitable for the characterization of melanin and the noninvasive diagnosis of ocular diseases and iris color.

Case study on the dynamics of ultrafast laser heating and ablation of gold thin films by ultrafast pump-probe reflectometry and ellipsometry

NASA Astrophysics Data System (ADS)

Pflug, T.; Wang, J.; Olbrich, M.; Frank, M.; Horn, A.

2018-02-01

To increase the comprehension of ultrafast laser ablation, the ablation process has to be portrayed with sufficient temporal resolution. For example, the temporal modification of the complex refractive index {\\tilde{n}} and the relative reflectance of a sample material after irradiation with ultrafast single-pulsed laser radiation can be measured with a pump-probe setup. This work describes the construction and validation of a pump-probe setup enabling spatially, temporally, and spectroscopically resolved Brewster angle microscopy, reflectometry, ellipsometry, and shadow photography. First pump-probe reflectometry and ellipsometry measurements are performed on gold at λ _{probe}= 440 nm and three fluences of the single-pulsed pump radiation at λ _{pump}= 800 nm generating no, gentle, and strong ablation. The relative reflectance overall increases at no and gentle ablation. At strong ablation, the relative reflectance locally decreases, presumable caused by emitted thermal electrons, ballistic electrons, and ablating material. The refractive index n is slightly decreasing after excitation, while the extinction coefficient k is increasing.

Nonimaging light concentration using total internal reflection films.

PubMed

Ouellette, G; Waltham, C E; Drees, R M; Poon, A; Schubank, R; Whitehead, L A

1992-05-01

We present a method of fabricating nonimaging light concentrators from total internal reflection film. A prototype has been made and tested and found to operate in agreement with predictions of ray-tracing codes. The performance of the prototype is comparable with that of concentrators made from specular reflecting materials.

Gas chromatography/matrix-isolation apparatus

DOEpatents

Reedy, G.T.

1986-06-10

A gas-sample collection device provides matrix isolation of individual gas bands from a gas chromatographic separation and for the spectroscopic analysis of the individual sample bands. The device includes a vacuum chamber containing a rotatably supported, specular carousel having at least one reflecting surface for holding a sample deposited thereon. A gas inlet is provided for depositing a mixture of sample and matrix material on the reflecting surface which is maintained at a sufficiently low temperature to cause solidification. A first parabolic mirror directs an incident beam of electromagnetic radiation, such as in the infrared (IR) spectrum, from a source onto the sample/matrix mixture while a second parabolic mirror directs a second beam of electromagnetic radiation reflected by the specular surface to an IR spectrometer for determining the absorption spectra of the sample material deposited on the reflecting surface. The pair of off-axis parabolic mirrors having a common focal point are positioned outside of the vacuum chamber and may be displaced in combination for improved beam positioning and alignment. The carousel is provided with an aperture for each reflecting surface to facilitate accurate positioning of the incident beam relative to the gas-samples under analysis. Improved gas-sample deposition is insured by the use of a long focal length stereomicroscope positioned outside of the vacuum chamber for monitoring sample formation through a window, while the sample collector is positioned outside of the zone bounded by the incident and reflected electromagnetic beams for improved sample access and monitoring. 10 figs.

Gas chromatography/matrix-isolation apparatus

DOEpatents

Reedy, Gerald T.

1986-01-01

A gas-sample collection device provides matrix isolation of individual gas bands from a gas chromatographic separation and for the spectroscopic analysis of the individual sample bands. The device includes a vacuum chamber containing a rotatably supported, specular carousel having at least one reflecting surface for holding a sample deposited thereon. A gas inlet is provided for depositing a mixture of sample and matrix material on the reflecting surface which is maintained at a sufficiently low temperature to cause solidification. A first parabolic mirror directs an incident beam of electromagnetic radiation, such as in the infrared (IR) spectrum, from a source onto the sample/matrix mixture while a second parabolic mirror directs a second beam of electromagnetic radiation reflected by the specular surface to an IR spectrometer for determining the absorption spectra of the sample material deposited on the reflecting surface. The pair of off-axis parabolic mirrors having a common focal point are positioned outside of the vacuum chamber and may be displaced in combination for improved beam positioning and alignment. The carousel is provided with an aperture for each reflecting surface to facilitate accurate positioning of the incident beam relative to the gas-samples under analysis. Improved gas-sample deposition is insured by the use of a long focal length stereomicroscope positioned outside of the vacuum chamber for monitoring sample formation through a window, while the sample collector is positioned outside of the zone bounded by the incident and reflected electromagnetic beams for improved sample access and monitoring.

Solar Lyman-Alpha Polarization Observation of the Chromosphere and Transition Region by the Sounding Rocket Experiment CLASP

NASA Technical Reports Server (NTRS)

Narukage, Noriyuki; Kano, Ryohei; Bando, Takamasa; Ishikawa, Ryoko; Kubo, Masahito; Katsukawa, Yukio; Ishikawa, Shinnosuke; Hara, Hiroshi; Suematsu, Yoshinori; Giono, Gabriel;

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.

Spectroscopy of reflection-asymmetric nuclei with relativistic energy density functionals

NASA Astrophysics Data System (ADS)

Xia, S. Y.; Tao, H.; Lu, Y.; Li, Z. P.; Nikšić, T.; Vretenar, D.

2017-11-01

Quadrupole and octupole deformation energy surfaces, low-energy excitation spectra, and transition rates in 14 isotopic chains: Xe, Ba, Ce, Nd, Sm, Gd, Rn, Ra, Th, U, Pu, Cm, Cf, and Fm, are systematically analyzed using a theoretical framework based on a quadrupole-octupole collective Hamiltonian (QOCH), with parameters determined by constrained reflection-asymmetric and axially symmetric relativistic mean-field calculations. The microscopic QOCH model based on the PC-PK1 energy density functional and δ -interaction pairing is shown to accurately describe the empirical trend of low-energy quadrupole and octupole collective states, and predicted spectroscopic properties are consistent with recent microscopic calculations based on both relativistic and nonrelativistic energy density functionals. Low-energy negative-parity bands, average octupole deformations, and transition rates show evidence for octupole collectivity in both mass regions, for which a microscopic mechanism is discussed in terms of evolution of single-nucleon orbitals with deformation.

LICA AstroCalc, a software to analyze the impact of artificial light: Extracting parameters from the spectra of street and indoor lamps

NASA Astrophysics Data System (ADS)

Ayuga, Carlos Eugenio Tapia; Zamorano, Jaime

2018-07-01

The night sky spectra of light-polluted areas is the result of the artificial light scattered back from the atmosphere and the reemission of the light after reflections in painted surfaces. This emission comes mainly from street and decorative lamps. We have built an extensive database of lamps spectra covering from UV to near IR and the software needed to analyze them. We describe the LICA-AstroCalc free software that is a user friendly GUI tool to extract information from our database spectra or any other user provided spectrum. The software also includes the complete color database of paints from NCS comprising 1950 types. This helps to evaluate how different colors modify the reflected spectra from different lamps. All spectroscopic measurements have been validated with recommendations from CIELAB and ISO from NCS database.

Infrared reflectivity investigation of the phase transition sequence in Pr0.5Ca0.5MnO3

NASA Astrophysics Data System (ADS)

Ribeiro, J. L.; Vieira, L. G.; Gomes, I. T.; Araújo, J. P.; Tavares, P.; Almeida, B. G.

2016-06-01

This work reports an infrared reflectivity study of the phase transition sequence observed in Pr0.5Ca0.5MnO3. The need to measure over an extended spectral range in order to properly take into account the effects of the high frequency polaronic absorption is circumvented by adopting a simple approximate method, based on the asymmetry present in the Kramers Kronig inversion of the phonon spectrum. The temperature dependence of the phonon optical conductivity is then investigated by monitoring the behavior of three relevant spectral moments of the optical conductivity. This combined methodology allows us to disclose subtle effects of the orbital, charge and magnetic orders on the lattice dynamics of the compound. The characteristic transition temperatures inferred from the spectroscopic measurements are compared and correlated with those obtained from the temperature dependence of the induced magnetization and electrical resistivity.

A novel nanometric DNA thin film as a sensor for alpha radiation

PubMed Central

Kulkarni, Atul; Kim, Byeonghoon; Dugasani, Sreekantha Reddy; Joshirao, Pranav; Kim, Jang Ah; Vyas, Chirag; Manchanda, Vijay; Kim, Taesung; Park, Sung Ha

2013-01-01

The unexpected nuclear accidents have provided a challenge for scientists and engineers to develop sensitive detectors, especially for alpha radiation. Due to the high linear energy transfer value, sensors designed to detect such radiation require placement in close proximity to the radiation source. Here we report the morphological changes and optical responses of artificially designed DNA thin films in response to exposure to alpha radiation as observed by an atomic force microscope, a Raman and a reflectance spectroscopes. In addition, we discuss the feasibility of a DNA thin film as a radiation sensing material. The effect of alpha radiation exposure on the DNA thin film was evaluated as a function of distance from an 241Am source and exposure time. Significant reflected intensity changes of the exposed DNA thin film suggest that a thin film made of biomolecules can be one of promising candidates for the development of online radiation sensors. PMID:23792924

IR-spectroscopical investigations on the glass structure of porous and sintered compacts of colloidal silica gels

NASA Astrophysics Data System (ADS)

Clasen, Rolf; Hornfeck, M.; Theiss, Wolfgang

1991-08-01

The forming and sintering of fumed silica powders is an interesting route for the preparation of large, very pure or doped silica glasses with a precise geometry. The processing from the shaping of a porous compact to the sintering of transparent silica glass can be successfully investigated with optical spectroscopy. As only the dielectric function DF (a dielectric function is the square root of the complex refractive index) characterizes the material, the vibrational bands were calculated from reflectance measurements. In compacts of fine particles, the topology cannot be neglected. Therefore, the models describing topological effects are briefly reviewed. With these model calculations it could be proven that new bands in the compacts and the significant shifts in the reflectance spectra during sintering are mainly caused by topological effects and that changes in the glass structure play only a secondary role.

Development of a luminous textile for reflective pulse oximetry measurements

PubMed Central

Krehel, Marek; Wolf, Martin; Boesel, Luciano F.; Rossi, René M.; Bona, Gian-Luca; Scherer, Lukas J.

2014-01-01

In this paper, a textile-based sensing principle for long term photopletysmography (PPG) monitoring is presented. Optical fibers were embroidered into textiles such that out-coupling and in-coupling of light was possible. The “light-in light-out” properties of the textile enabled the spectroscopic characterization of human tissue. For the optimization of the textile sensor, three different carrier fabrics and different fiber modifications were compared. The sample with best light coupling efficiency was successfully used to measure heart rate and SpO2 values of a subject. The latter was determined by using a modified Beer-Lambert law and measuring the light attenuation at two different wavelengths (632 nm and 894 nm). Moreover, the system was adapted to work in reflection mode which makes the sensor more versatile. The measurements were additionally compared with commercially available system and showed good correlation. PMID:25136484

Investigating Low-Cost Optical Spectroscopy for Sensing Pressure Ulcers

NASA Astrophysics Data System (ADS)

Mirchandani, Smruti Suresh

Diffuse Reflectance Spectroscopy has been used widely to characterize tissue properties for diagnostic and therapeutic applications. This thesis focuses on the use of spectroscopy for early pressure ulcer detection. The most common early diagnosis technique for pressure ulcers is a blanch test. A major issue with a blanch test is that it is purely visual and cannot be visibly observed on dark skinned individuals. Studies have already proven that spectroscopy can be used to detect blanch response in skin across light and dark skinned individuals. The portable reflectance spectroscopy setup showed that pressure changes to the skin can be detected spectroscopically. Some work on an iPhone based spectrometer was also done to have a low-cost spectroscopy alternative to the usual DRS equipment. This study failed to develop an iPhone based spectrometer but various factors that can be changed to better this research have been mentioned in this thesis.

Analysis of reflection effects in HS 2333+3927

NASA Astrophysics Data System (ADS)

Shimanskii, V. V.; Yakin, D. G.; Borisov, N. V.; Bikmaev, I. F.

2012-11-01

The results of photometric and spectroscopic observations of the pre-cataclysmic variable HS 2333+3927, which is a HW Vir binary system, are analyzed. The parameters of the sdB subdwarf companion ( T eff = 37 500 ± 500 K, log g = 5.7 ± 0.05) and the chemical composition of its atmosphere are refined using a spectrum of the binary system obtained at minimum brightness. Reflection effects can fully explain the observed brightness variations of HS 2333+3927, changes in the HI and HeI line profiles, and distortions of the radial-velocity curve of the primary star. A new method for determining the component-mass ratios in HW Vir binaries, based on their radial-velocity curves and models of irradiated atmospheres, is proposed. The set of parameters obtained for the binary components corresponds to models of horizontal-branch sdB subdwarfs and main-sequence stars.

Development of a luminous textile for reflective pulse oximetry measurements.

PubMed

Krehel, Marek; Wolf, Martin; Boesel, Luciano F; Rossi, René M; Bona, Gian-Luca; Scherer, Lukas J

2014-08-01

In this paper, a textile-based sensing principle for long term photopletysmography (PPG) monitoring is presented. Optical fibers were embroidered into textiles such that out-coupling and in-coupling of light was possible. The "light-in light-out" properties of the textile enabled the spectroscopic characterization of human tissue. For the optimization of the textile sensor, three different carrier fabrics and different fiber modifications were compared. The sample with best light coupling efficiency was successfully used to measure heart rate and SpO2 values of a subject. The latter was determined by using a modified Beer-Lambert law and measuring the light attenuation at two different wavelengths (632 nm and 894 nm). Moreover, the system was adapted to work in reflection mode which makes the sensor more versatile. The measurements were additionally compared with commercially available system and showed good correlation.

New Developments of Broadband Cavity Enhanced Spectroscopic Techniques

NASA Astrophysics Data System (ADS)

Walsh, A.; Zhao, D.; Linnartz, H.; Ubachs, W.

2013-06-01

In recent years, cavity enhanced spectroscopic techniques, such as cavity ring-down spectroscopy (CRDS), cavity enhanced absorption spectroscopy (CEAS), and broadband cavity enhanced absorption spectroscopy (BBCEAS), have been widely employed as ultra-sensitive methods for the measurement of weak absorptions and in the real-time detection of trace species. In this contribution, we introduce two new cavity enhanced spectroscopic concepts: a) Optomechanical shutter modulated BBCEAS, a variant of BBCEAS capable of measuring optical absorption in pulsed systems with typically low duty cycles. In conventional BBCEAS applications, the latter substantially reduces the signal-to-noise ratio (S/N), consequently also reducing the detection sensitivity. To overcome this, we incorporate a fast optomechanical shutter as a time gate, modulating the detection scheme of BBCEAS and increasing the effective duty cycle reaches a value close to unity. This extends the applications of BBCEAS into pulsed samples and also in time-resolved studies. b) Cavity enhanced self-absorption spectroscopy (CESAS), a new spectroscopic concept capable of studying light emitting matter (plasma, flames, combustion samples) simultaneously in absorption and emission. In CESAS, a sample (plasma, flame or combustion source) is located in an optically stable cavity consisting of two high reflectivity mirrors, and here it acts both as light source and absorbing medium. A high detection sensitivity of weak absorption is reached without the need of an external light source, such as a laser or broadband lamp. The performance is illustrated by the first CESAS result on a supersonically expanding hydrocarbon plasma. We expect CESAS to become a generally applicable analytical tool for real time and in situ diagnostics. A. Walsh, D. Zhao, W. Ubachs, H. Linnartz, J. Phys. Chem. A, {dx.doi.org/10.1021/jp310392n}, in press, 2013. A. Walsh, D. Zhao, H. Linnartz Rev. Sci. Instrum. {84}(2), 021608 2013. A. Walsh, D. Zhao, H. Linnartz Appl. Phys. Lett. {101}(9), 091111 2012.

Lockyer, Joseph Norman (1836-1920)

NASA Astrophysics Data System (ADS)

Murdin, P.

2000-11-01

Civil servant, professor at the Solar Physics Observatory, Kensington (later moved to Cambridge), born in Rugby, Warwickshire, England. Attracted to astronomy by an observation of the annular solar eclipse of 1858, erected an observatory at his home in Hampstead, observed Mars. Lockyer showed spectroscopically that phenomena seen during a total eclipse (such as the prominences) could be seen in d...

Mid-infrared diffuse reflectance spectroscopic examination of charred pine wood, bark, cellulose, and lignin: Implications for the quantitative determination of charcoal in soils

USGS Publications Warehouse

Reeves, J. B.; McCarty, G.W.; Rutherford, D.W.; Wershaw, R. L.

2008-01-01

Fires in terrestrial ecosystems produce large amounts of charcoal that persist in the environment and represent a substantial pool of sequestered carbon in soil. The objective of this research was to investigate the effect of charring on mid-infrared spectra of materials likely to be present in forest fires in order to determine the feasibility of determining charred organic matter in soils. Four materials (cellulose, lignin, pine bark, and pine wood) and char from these materials, created by charring for various durations (1 to 168 h) and at various temperatures (200 to 450 ??C), were studied. Mid-infrared spectra and measures of acidity (total acids, carboxylic acids, lactones, and phenols as determined by titration) were determined for 56 different samples (not all samples were charred at all temperatures/durations). Results showed spectral changes that varied with the material, temperature, and duration of charring. Despite the wide range of spectral changes seen with the differing materials and length/temperature of charring, partial least squares calibrations for total acids, carboxylic acids, lactones, and phenols were successfully created (coefficient of determination and root mean squared deviation of 0.970 and 0.380; 0.933 and 0.227; 0.976 and 0.120; and 0.982 and 0.101 meq/g, respectively), indicating that there is a sufficient commonality in the changes to develop calibrations without the need for unique calibrations for each specific material or condition of char formation. ?? 2008 Society for Applied Spectroscopy.

Quantitative determination of polyphosphate in sediments using Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR) spectroscopy and partial least squares regression.

PubMed

Khoshmanesh, Aazam; Cook, Perran L M; Wood, Bayden R

2012-08-21

Phosphorus (P) is a major cause of eutrophication and subsequent loss of water quality in freshwater ecosystems. A major part of the flux of P to eutrophic lake sediments is organically bound or of biogenic origin. Despite the broad relevance of polyphosphate (Poly-P) in bioremediation and P release processes in the environment, its quantification is not yet well developed for sediment samples. Current methods possess significant disadvantages because of the difficulties associated with using a single extractant to extract a specific P compound without altering others. A fast and reliable method to estimate the quantitative contribution of microorganisms to sediment P release processes is needed, especially when an excessive P accumulation in the form of polyphosphate (Poly-P) occurs. Development of novel approaches for application of emerging spectroscopic techniques to complex environmental matrices such as sediments significantly contributes to the speciation models of P mobilization, biogeochemical nutrient cycling and development of nutrient models. In this study, for the first time Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR) spectroscopy in combination with partial least squares (PLS) was used to quantify Poly-P in sediments. To reduce the high absorption matrix components in sediments such as silica, a physical extraction method was developed to separate sediment biological materials from abiotic particles. The aim was to achieve optimal separation of the biological materials from sediment abiotic particles with minimum chemical change in the sample matrix prior to ATR-FTIR analysis. Using a calibration set of 60 samples for the PLS prediction models in the Poly-P concentration range of 0-1 mg g(-1) d.w. (dry weight of sediment) (R(2) = 0.984 and root mean square error of prediction RMSEP = 0.041 at Factor-1) Poly-P could be detected at less than 50 μg g(-l) d.w. Using this technique, there is no solvent extraction or chemical treatment required, sample preparation is minimal and simple, and the analysis time is greatly reduced. The results from this study demonstrated the potential of ATR FT-IR spectroscopy as an alternative method to study Poly-P in sediments.

The effects of particle size on the optical properties and surface roughness of a glass-balloon-filled black paint

NASA Technical Reports Server (NTRS)

Heslin, T.; Heaney, J.; Harper, M.

1974-01-01

The effects of particle size on the optical properties and surface roughness of a glass-balloon-filled, carbon-pigmented paint were studied in order to develop a diffuse-reflecting, low-total-reflectance, low-outgassing black paint. Particle sizes ranged between 20 microns and 74 microns. Surface roughness was found to increase with increasing particle size. Relative total reflectance at near-normal incidence (MgO standard) of the filled paints was less than for the unfilled paint between 230 nm and 1800 nm. Total absolute reflectance at 546 nm decreased with increasing particle size at grazing angles of incidence. Near-normal, total emittance was greater for the filled paints than for the unfilled paint. Specularity decreased with increasing particle size over the range studied.

Anomalous rise in algal production linked to lakewater calcium decline through food web interactions

PubMed Central

Korosi, Jennifer B.; Burke, Samantha M.; Thienpont, Joshua R.; Smol, John P.

2012-01-01

Increased algal blooms are a threat to aquatic ecosystems worldwide, although the combined effects of multiple stressors make it difficult to determine the underlying causes. We explore whether changes in trophic interactions in response to declining calcium (Ca) concentrations, a water quality issue only recently recognized in Europe and North America, can be linked with unexplained bloom production. Using a palaeolimnological approach analysing the remains of Cladocera (herbivorous grazers) and visual reflectance spectroscopically inferred chlorophyll a from the sediments of a Nova Scotia (Canada) lake, we show that a keystone grazer, Daphnia, declined in the early 1990s and was replaced by a less effective grazer, Bosmina, while inferred chlorophyll a levels tripled at constant total phosphorus (TP) concentrations. The decline in Daphnia cannot be attributed to changes in pH, thermal stratification or predation, but instead is linked to declining lakewater [Ca]. The consistency in the timing of changes in Daphnia and inferred chlorophyll a suggests top-down control on algal production, providing, to our knowledge, the first evidence of a link between lakewater [Ca] decline and elevated algal production mediated through the effects of [Ca] decline on Daphnia. [Ca] decline has severe implications for whole-lake food webs, and presents yet another mechanism for potential increases in algal blooms. PMID:21957138

Infrared detection of chlorinated hydrocarbons in water at ppb levels of concentrations.

PubMed

Roy, Gilles; Mielczarski, Jerzy A

2002-04-01

Infrared sensor, based on attenuated total reflection phenomenon, for the detection of chlorinated hydrocarbons (CHCs) represents a big advantage compared to chromatographic and mass spectroscopic techniques since it is a one step detector. Pre-concentration and separation take place in the polymer film with simultaneous identification of pollutants by the infrared beam. The analysis is rapid, sample does not require any initial preparation, and can be easily performed in the field. The main default of the latest version of the sensor was a low sensibility (above 1 ppm) compared to the threshold levels of the contaminants. In the present work, it is documented that the response dynamics of the optical sensor and its sensitivity depend strongly on the diffusion of pollutants through a boundary layer formed between polymer film and the monitored solution and in the polymer film. The reduction of thickness of the boundary layer through a controlled high flow rate, and the optimization of thickness (volume) of polymer films result in a tremendous improvement of the response dynamics. It is demonstrated that the sensor can detect simultaneously six CHCs: monochlorobenzene, 1,2-dichlorobenzene, 1,2,4-trichlorobenzene, chloroform, trichloroethylene, and perchloroethylene in their mixture with a sensitivity as low as a few ppb. This level of detection opens up numerous applications for the optical sensor.

Earth Glint Observations Conducted During the Deep Impact Spacecraft Flyby

NASA Technical Reports Server (NTRS)

Barry, R. K.; Deming, L. D.; Robinson, T.; Hewagama, T.

2010-01-01

We describe observations of Earth conducted using the High Resolution Instrument (HRI) - a 0.3 m f/35 telescope - on the Deep Impact (DI) spacecraft during its recent flybys. Earth was observed on five occasions: 2008-Mar-18 18:18 UT, 2008-May-28 20:05 UT, 2008-Jun-4 16:57 UT, 2009-Mar-27 16:19 and 2009-Oct-4 09:37 UT. Each set of observations was conducted over a full 24-hour rotation of Earth and a total of thirteen NIR spectra were taken on two-hour intervals during each observing period. Photometry in the 450, SSO, 650 and 8S0 nm filters was taken every fifteen minutes and every hour for the 350, 750 and 950 nm filters. The spacecraft was located over the equator for the three sets of observations in 2008, while the 2009- Mar and 2009-Oct were taken over the north and south Polar Regions, respectively. Observations of calibrator stars Canopus and Achernar were conducted on multiple occasions through all filters. The observations detected a strong specular glint not necessarily associated with a body of water. We describe spectroscopic characterization of the glint and evidence for the possibility of detection of reflection from high cirrus clouds. We describe implications for observations of extrasolar planets.

Protein Structural Perturbation and Aggregation on Homogeneous Surfaces

PubMed Central

Sethuraman, Ananthakrishnan; Belfort, Georges

2005-01-01

We have demonstrated that globular proteins, such as hen egg lysozyme in phosphate buffered saline at room temperature, lose native structural stability and activity when adsorbed onto well-defined homogeneous solid surfaces. This structural loss is evident by α-helix to turns/random during the first 30 min and followed by a slow α-helix to β-sheet transition. Increase in intramolecular and intermolecular β-sheet content suggests conformational rearrangement and aggregation between different protein molecules, respectively. Amide I band attenuated total reflection/Fourier transformed infrared (ATR/FTIR) spectroscopy was used to quantify the secondary structure content of lysozyme adsorbed on six different self-assembled alkanethiol monolayer surfaces with –CH3, –OPh, –CF3, –CN, –OCH3, and –OH exposed functional end groups. Activity measurements of adsorbed lysozyme were in good agreement with the structural perturbations. Both surface chemistry (type of functional groups, wettability) and adsorbate concentration (i.e., lateral interactions) are responsible for the observed structural changes during adsorption. A kinetic model is proposed to describe secondary structural changes that occur in two dynamic phases. The results presented in this article demonstrate the utility of the ATR/FTIR spectroscopic technique for in situ characterization of protein secondary structures during adsorption on flat surfaces. PMID:15542559

Combined use of quantitative ED-EPMA, Raman microspectrometry, and ATR-FTIR imaging techniques for the analysis of individual particles.

PubMed

Jung, Hae-Jin; Eom, Hyo-Jin; Kang, Hyun-Woo; Moreau, Myriam; Sobanska, Sophie; Ro, Chul-Un

2014-08-21

In this work, quantitative energy-dispersive electron probe X-ray microanalysis (ED-EPMA) (called low-Z particle EPMA), Raman microspectrometry (RMS), and attenuated total reflectance Fourier transform infrared spectroscopic (ATR-FTIR) imaging were applied in combination for the analysis of the same individual airborne particles for the first time. After examining individual particles of micrometer size by low-Z particle EPMA, consecutive examinations by RMS and ATR-FTIR imaging of the same individual particles were then performed. The relocation of the same particles on Al or Ag foils was successfully carried out among the three standalone instruments for several standard samples and an indoor airborne particle sample, resulting in the successful acquisition of quality spectral data from the three single-particle analytical techniques. The combined application of the three techniques to several different standard particles confirmed that those techniques provided consistent and complementary chemical composition information on the same individual particles. Further, it was clearly demonstrated that the three different types of spectral and imaging data from the same individual particles in an indoor aerosol sample provided richer information on physicochemical characteristics of the particle ensemble than that obtainable by the combined use of two single-particle analytical techniques.

Quantitative assessment of copper proteinates used as animal feed additives using ATR-FTIR spectroscopy and powder X-ray diffraction (PXRD) analysis.

PubMed

Cantwell, Caoimhe A; Byrne, Laurann A; Connolly, Cathal D; Hynes, Michael J; McArdle, Patrick; Murphy, Richard A

2017-08-01

The aim of the present work was to establish a reliable analytical method to determine the degree of complexation in commercial metal proteinates used as feed additives in the solid state. Two complementary techniques were developed. Firstly, a quantitative attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopic method investigated modifications in vibrational absorption bands of the ligand on complex formation. Secondly, a powder X-ray diffraction (PXRD) method to quantify the amount of crystalline material in the proteinate product was developed. These methods were developed in tandem and cross-validated with each other. Multivariate analysis (MVA) was used to develop validated calibration and prediction models. The FTIR and PXRD calibrations showed excellent linearity (R 2  > 0.99). The diagnostic model parameters showed that the FTIR and PXRD methods were robust with a root mean square error of calibration RMSEC ≤3.39% and a root mean square error of prediction RMSEP ≤7.17% respectively. Comparative statistics show excellent agreement between the MVA packages assessed and between the FTIR and PXRD methods. The methods can be used to determine the degree of complexation in complexes of both protein hydrolysates and pure amino acids.

Resonance Raman Spectroscopic Evaluation of Skin Carotenoids as a Biomarker of Carotenoid Status for Human Studies

PubMed Central

Mayne, Susan T.; Cartmel, Brenda; Scarmo, Stephanie; Jahns, Lisa; Ermakov, Igor V.; Gellermann, Werner

2013-01-01

Resonance Raman Spectroscopy (RRS) is a non-invasive method that has been developed to assess carotenoid status in human tissues including human skin in vivo. Skin carotenoid status has been suggested as a promising biomarker for human studies. This manuscript describes research done relevant to the development of this biomarker, including its reproducibility, validity, feasibility for use in field settings, and factors that affect the biomarker such as diet, smoking, and adiposity. Recent studies have evaluated the response of the biomarker to controlled carotenoid interventions, both supplement-based and dietary [e.g., provision of a high-carotenoid fruit and vegetable (F/V)-enriched diet], demonstrating consistent response to intervention. The totality of evidence supports the use of skin carotenoid status as an objective biomarker of F/V intake, although in the cross-sectional setting, diet explains only some of the variation in this biomarker. However, this limitation is also a strength in that skin carotenoids may effectively serve as an integrated biomarker of health, with higher status reflecting greater F/V intake, lack of smoking, and lack of adiposity. Thus, this biomarker holds promise as both a health biomarker and an objective indicator of F/V intake, supporting its further development and utilization for medical and public health purposes. PMID:23823930

Vibrational and theoretical study of selected diacetylenes.

PubMed

Roman, Maciej; Baranska, Malgorzata

2013-11-01

Six commonly used disubstituted diacetylenes with short side-chains (RCCCCR, where R=CH2OH, CH2OPh, C(CH3)2OH, C(CH3)3, Si(CH3)3, and Ph) were analyzed using vibrational spectroscopy and quantum-chemical calculations to shed new light on structural and spectroscopic properties of these compounds. Prior to that the conformational analysis of diacetylenes was performed to search the Potential Energy Surface for low-energy minima. Theoretical investigations were followed by the potential energy distribution (PED) analysis to gain deeper insight into FT-Raman and FT-IR spectra that, in some cases, were recorded for the first time for the studied compounds. The analysis was focused mainly on spectral features of the diacetylene system sensitive to the substitution. Shifts of the characteristic bands and changes in bond lengths were observed when changing the substituent. Furthermore, Fermi resonance was observed in the vibrational spectra of some diacetylenes. FT-IR spectra were measured by using two methods, i.e. transmission (with KBr substrate) and Attenuated Total Reflection (ATR), showing the latter adequate and fast tool for IR measurements of diacetylenes. Additionally, Surface Enhanced Raman Spectroscopy (SERS) was applied for phenyl derivative for the first time to study its interaction with metallic nanoparticles that seems to be perpendicular. Copyright © 2013 Elsevier B.V. All rights reserved.

Tunable, diode side-pumped Er: YAG laser

DOEpatents

Hamilton, Charles E.; Furu, Laurence H.

1997-01-01

A discrete-element Er:YAG laser, side pumped by a 220 Watt peak-power InGaAs diode array, generates >500 mWatts at 2.94 .mu.m, and is tunable over a 6 nm range near about 2.936 .mu.m. The oscillator is a plano-concave resonator consisting of a concave high reflector, a flat output coupler, a Er:YAG crystal and a YAG intracavity etalon, which serves as the tuning element. The cavity length is variable from 3 cm to 4 cm. The oscillator uses total internal reflection in the Er:YAG crystal to allow efficient coupling of the diode emission into the resonating modes of the oscillator. With the tuning element removed, the oscillator produces up to 1.3 Watts of average power at 2.94 .mu.m. The duty factor of the laser is 6.5% and the repetition rate is variable up to 1 kHz. This laser is useful for tuning to an atmospheric transmission window at 2.935 .mu.m (air wavelength). The laser is also useful as a spectroscopic tool because it can access several infrared water vapor transitions, as well as transitions in organic compounds. Other uses include medical applications (e.g., for tissue ablation and uses with fiber optic laser scalpels) and as part of industrial effluent monitoring systems.

THz and mm-Wave Sensing of Corneal Tissue Water Content: Electromagnetic Modeling and Analysis

PubMed Central

Taylor, Zachary D.; Garritano, James; Sung, Shijun; Bajwa, Neha; Bennett, David B.; Nowroozi, Bryan; Tewari, Priyamvada; Sayre, James; Hubschman, Jean-Pierre; Deng, Sophie; Brown, Elliott R.; Grundfest, Warren S.

2015-01-01

Terahertz (THz) spectral properties of human cornea are explored as a function of central corneal thickness (CCT) and corneal water content, and the clinical utility of THz-based corneal water content sensing is discussed. Three candidate corneal tissue water content (CTWC) perturbations, based on corneal physiology, are investigated that affect the axial water distribution and total thickness. The THz frequency reflectivity properties of the three CTWC perturbations were simulated and explored with varying system center frequency and bandwidths (Q-factors). The modeling showed that at effective optical path lengths on the order of a wavelength the cornea presents a lossy etalon bordered by air at the anterior and the aqueous humor at the posterior. The simulated standing wave peak-to-valley ratio is pronounced at lower frequencies and its effect on acquired data can be modulated by adjusting the bandwidth of the sensing system. These observations are supported with experimental spectroscopic data. The results suggest that a priori knowledge of corneal thickness can be utilized for accurate assessments of corneal tissue water content. The physiologic variation of corneal thickness with respect to the wavelengths spanned by the THz band is extremely limited compared to all other structures in the body making CTWC sensing unique amongst all proposed applications of THz medical imaging. PMID:26322247

Spectroscopic confirmation of uranium(VI)-carbonato adsorption complexes on hematite

USGS Publications Warehouse

Bargar, John R.; Reitmeyer, Rebecca; Davis, James A.

1999-01-01

Evaluating societal risks posed by uranium contamination from waste management facilities, mining sites, and heavy industry requires knowledge about uranium transport in groundwater, often the most significant pathway of exposure to humans. It has been proposed that uranium mobility in aquifers may be controlled by adsorption of U(VI)−carbonato complexes on oxide minerals. The existence of such complexes has not been demonstrated, and little is known about their compositions and reaction stoichiometries. We have used attenuated total reflectance Fourier transform infrared (ATR-FTIR) and extended X-ray absorption fine structure (EXAFS) spectroscopies to probe the existence, structures, and compositions of ≡FeOsurface−U(VI)−carbonato complexes on hematite throughout the pH range of uranyl uptake under conditions relevant to aquifers. U(VI)−carbonato complexes were found to be the predominant adsorbed U(VI) species at all pH values examined, a much wider pH range than previously postulated based on analogy to aqueous U(VI)−carbonato complexes, which are trace constituents at pH < 6. This result indicates the inadequacy of the common modeling assumption that the compositions and predominance of adsorbed species can be inferred from aqueous species. By extension, adsorbed carbonato complexes may be of major importance to the groundwater transport of similar actinide contaminants such as neptunium and plutonium.

In-column ATR-FTIR spectroscopy to monitor affinity chromatography purification of monoclonal antibodies

NASA Astrophysics Data System (ADS)

Boulet-Audet, Maxime; Kazarian, Sergei G.; Byrne, Bernadette

2016-07-01

In recent years many monoclonal antibodies (mAb) have entered the biotherapeutics market, offering new treatments for chronic and life-threatening diseases. Protein A resin captures monoclonal antibody (mAb) effectively, but the binding capacity decays over repeated purification cycles. On an industrial scale, replacing fouled Protein A affinity chromatography resin accounts for a large proportion of the raw material cost. Cleaning-in-place (CIP) procedures were developed to extend Protein A resin lifespan, but chromatograms cannot reliably quantify any remaining contaminants over repeated cycles. To study resin fouling in situ, we coupled affinity chromatography and Fourier transform infrared (FTIR) spectroscopy for the first time, by embedding an attenuated total reflection (ATR) sensor inside a micro-scale column while measuring the UV 280 nm and conductivity. Our approach quantified the in-column protein concentration in the resin bed and determined protein conformation. Our results show that Protein A ligand leached during CIP. We also found that host cell proteins bound to the Protein A resin even more strongly than mAbs and that typical CIP conditions do not remove all fouling contaminants. The insights derived from in-column ATR-FTIR spectroscopic monitoring could contribute to mAb purification quality assurance as well as guide the development of more effective CIP conditions to optimise resin lifespan.

In-column ATR-FTIR spectroscopy to monitor affinity chromatography purification of monoclonal antibodies

PubMed Central

Boulet-Audet, Maxime; Kazarian, Sergei G.; Byrne, Bernadette

2016-01-01

In recent years many monoclonal antibodies (mAb) have entered the biotherapeutics market, offering new treatments for chronic and life-threatening diseases. Protein A resin captures monoclonal antibody (mAb) effectively, but the binding capacity decays over repeated purification cycles. On an industrial scale, replacing fouled Protein A affinity chromatography resin accounts for a large proportion of the raw material cost. Cleaning-in-place (CIP) procedures were developed to extend Protein A resin lifespan, but chromatograms cannot reliably quantify any remaining contaminants over repeated cycles. To study resin fouling in situ, we coupled affinity chromatography and Fourier transform infrared (FTIR) spectroscopy for the first time, by embedding an attenuated total reflection (ATR) sensor inside a micro-scale column while measuring the UV 280 nm and conductivity. Our approach quantified the in-column protein concentration in the resin bed and determined protein conformation. Our results show that Protein A ligand leached during CIP. We also found that host cell proteins bound to the Protein A resin even more strongly than mAbs and that typical CIP conditions do not remove all fouling contaminants. The insights derived from in-column ATR-FTIR spectroscopic monitoring could contribute to mAb purification quality assurance as well as guide the development of more effective CIP conditions to optimise resin lifespan. PMID:27470880

Kinetics, Assembling and Conformation Control of L-Cysteine Adsorption on Pt by In Situ FTIR Spectroscopy and QCM-D.

PubMed

Cordoba de Torresi, Susana Ines; Dourado, Andre H B; Silva, Rubens A; Torresi, Roberto M; Sumodjo, Paulo T A; Arenz, Matthias

2018-06-05

A quartz crystal microbalance method with dissipation (QCM-D) and attenuated total reflection infrared (ATR-FTIRS) spectroscopy were used to study the adsorption of L-cysteine (L-Cys) on Pt. Using QCM-D, it was possible to verify that the viscoelastic properties of the adsorbed species play an important role in the adsorption, rendering Sauerbrey's equation inapplicable. The modelling of QCM-D data exposed two different processes for the adsorption reaction. The first one had an activation time and is fast, whereas the second is slow. These processes were also resolved by ATR-FTIRS identified to be water and anion adsorption preceded by L-Cys adsorption. Both techniques reveal that the degree of surface coverage is pH dependent. Spectroscopic data indicate that the conformation of L-Cys(ads) changes with pH and that the structures do not fully agree with those proposed in literature for other metallic surfaces. The assembling of the adsorbed monolayer appeared to be very fast, and it was not possible to determine or quantify this kinetics. The conformation is also controlled by applied potential, and the anion adsorption and interfacial water depends on the conformation of the adsorbed molecules. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Tunable, diode side-pumped Er:YAG laser

DOEpatents

Hamilton, C.E.; Furu, L.H.

1997-04-22

A discrete-element Er:YAG laser, side pumped by a 220 Watt peak-power InGaAs diode array, generates >500 mWatts at 2.94 {micro}m, and is tunable over a 6 nm range near about 2.936 {micro}m. The oscillator is a plano-concave resonator consisting of a concave high reflector, a flat output coupler, a Er:YAG crystal and a YAG intracavity etalon, which serves as the tuning element. The cavity length is variable from 3 cm to 4 cm. The oscillator uses total internal reflection in the Er:YAG crystal to allow efficient coupling of the diode emission into the resonating modes of the oscillator. With the tuning element removed, the oscillator produces up to 1.3 Watts of average power at 2.94 {micro}m. The duty factor of the laser is 6.5% and the repetition rate is variable up to 1 kHz. This laser is useful for tuning to an atmospheric transmission window at 2.935 {micro}m (air wavelength). The laser is also useful as a spectroscopic tool because it can access several infrared water vapor transitions, as well as transitions in organic compounds. Other uses include medical applications (e.g., for tissue ablation and uses with fiber optic laser scalpels) and as part of industrial effluent monitoring systems. 4 figs.

Quantitative analysis of anti-inflammatory drugs using FTIR-ATR spectrometry

NASA Astrophysics Data System (ADS)

Hassib, Sonia T.; Hassan, Ghaneya S.; El-Zaher, Asmaa A.; Fouad, Marwa A.; Taha, Enas A.

2017-11-01

Four simple, accurate, sensitive and economic Attenuated Total Reflectance-Fourier Transform Infrared Spectroscopic (ATR-FTIR) methods have been developed for the quantitative estimation of some non-steroidal anti-inflammatory drugs. The first method involves the determination of Etodolac by direct measurement of the absorbance at 1716 cm- 1. In the second method, the second derivative of the IR spectra of Tolfenamic acid and its reported degradation product (2-chlorobenzoic acid) was used and the amplitudes were measured at 1084.27 cm- 1 and 1056.02 cm- 1 for Tolfenamic acid and 2-chlorobenzoic acid, respectively. The third method used the first derivative of the IR spectra of Bumadizone and its reported degradation product, N,N-diphenylhydrazine and the amplitudes were measured at 2874.98 cm- 1 and 2160.32 cm- 1 for Bumadizone and N,N-diphenylhydrazine, respectively. The fourth method depends on measuring the amplitude of Diacerein at 1059.18 cm- 1 and of rhein, its reported degradation product, at 1079.32 cm- 1 in their first derivative spectra. The four methods were successfully applied on the pharmaceutical formulations by extracting the active constituent in chloroform and the extract was directly measured in liquid phase mode using a specific cell. Moreover, validation of these methods was carried out following International Conference of Harmonisation (ICH) guidelines.

ATR-FTIR spectroscopy for the determination of Na4EDTA in detergent aqueous solutions.

PubMed

Suárez, Leticia; García, Roberto; Riera, Francisco A; Diez, María A

2013-10-15

Fourier transform infrared spectroscopy in the attenuated total reflectance mode (ATR-FTIR) combined with partial last square (PLS) algorithms was used to design calibration and prediction models for a wide range of tetrasodium ethylenediaminetetraacetate (Na4EDTA) concentrations (0.1 to 28% w/w) in aqueous solutions. The spectra obtained using air and water as a background medium were tested for the best fit. The PLS models designed afforded a sufficient level of precision and accuracy to allow even very small amounts of Na4EDTA to be determined. A root mean square error of nearly 0.37 for the validation set was obtained. Over a concentration range below 5% w/w, the values estimated from a combination of ATR-FTIR spectroscopy and a PLS algorithm model were similar to those obtained from an HPLC analysis of NaFeEDTA complexes and subsequent detection by UV absorbance. However, the lowest detection limit for Na4EDTA concentrations afforded by this spectroscopic/chemometric method was 0.3% w/w. The PLS model was successfully used as a rapid and simple method to quantify Na4EDTA in aqueous solutions of industrial detergents as an alternative to HPLC-UV analysis which involves time-consuming dilution and complexation processes. © 2013 Elsevier B.V. All rights reserved.

Monitoring the diffusion of topically applied drugs through human and pig skin using fiber evanescent wave spectroscopy (FEWS)

NASA Astrophysics Data System (ADS)

Spielvogel, Juergen; Reuter, Susanne; Hibst, Raimund; Katzir, Abraham

1999-04-01

The objective of this study was to examine if the diffusion process of topically applied drugs can reliably be monitored using FEWS in respect to timely distribution of the drug and chemical alterations of the drug during the diffusion process. In order to do this, recently excised human and pig skin was cut into slices of different thickness while also taking into account the different layers skin is composed of (e.g. Dermis, Stratum Corneum). These layers were first characterized spectroscopically and optically using a microscope before the drug itself was applied topically. The diffusion process was monitored by placing the sample on an ATR (attenuated total reflection) element. Time series from 1 - 4 hours were taken and the characteristic absorption bands of the drug were analyzed in the mid-infrared. By using a first order approach on Fick's diffusion equations (skin assumed to be homogeneous) we were able to fit these experimental values and to obtain diffusion constants, e.g. for water at 3376 cm-1 in the order of 10-5 cm2/s, which compare well with previously published values. The results indicate that this technique can be applied to the prediction of transdermal drug delivery.

Correlation between the fine structure of spin-coated PEDOT:PSS and the photovoltaic performance of organic/crystalline-silicon heterojunction solar cells

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

Funda, Shuji; Ohki, Tatsuya; Liu, Qiming

2016-07-21

We investigated the relationship between the fine structure of spin-coated conductive polymer poly(3,4-ethylenedioxythiphene):poly(styrene sulfonate) (PEDOT:PSS) films and the photovoltaic performance of PEDOT:PSS crystalline-Si (PEDOT:PSS/c-Si) heterojunction solar cells. Real-time spectroscopic ellipsometry revealed that there were two different time constants for the formation of the PEDOT:PSS network. Upon removal of the polar solvent, the PEDOT:PSS film became optically anisotropic, indicating a conformational change in the PEDOT and PSS chain. Polarized Fourier transform infrared attenuated total reflection absorption spectroscopy and Raman spectroscopy measurements also indicated that thermal annealing promoted an in-plane π-conjugated C{sub α} = C{sub β} configuration attributed to a thiophene ring in PEDOTmore » and an out-of-plane configuration of -SO{sub 3} groups in the PSS chain with increasing composition ratio of oxidized (benzoid) to neutral (quinoid) PEDOT, I{sub qui}/I{sub ben}. The highest power conversion efficiency for the spin-coated PEDOT:PSS/c-Si heterojunction solar cells was 13.3% for I{sub qui}/I{sub ben} = 9–10 without employing any light harvesting methods.« less

Synthesis and characterization of poly-3-((2,5-hydroquinone)vinyl)-1H-pyrrole: investigation on backbone/pendant interactions in a conducting redox polymer.

PubMed

Huang, Hao; Karlsson, Christoffer; Strømme, Maria; Gogoll, Adolf; Sjödin, Martin

2017-04-19

We herein report the synthesis and electrochemical characterization of poly-3-((2,5-hydroquinone)vinyl)-1H-pyrrole, consisting of a polypyrrole backbone derivatized at the beta position by a vinyl-hydroquinone pendant group. The structure of the polymer was characterized by solid state NMR spectroscopy. The interactions between the polypyrrole backbone and the oxidized quinone or reduced hydroquinone pendant groups are probed by several in situ methods. In situ attenuated total reflectance-Fourier transform infrared spectroscopy shows a spectroscopic response from both the doping of the polymer backbone and the redox activity of the pendant groups. Using an in situ Electrochemical Quartz Crystal Microbalance we reveal that the polymer doping is unaffected by the pendant group redox chemistry, as opposed to previous reports. Despite the continuous doping the electrochemical conversion from the hydroquinone state to the quinone state results in a significant conductance drop, as observed by in situ conductivity measurements using an Interdigitated Array electrode set-up. Twisting of the conducting polymer backbone as a result of a decreased separation between pendant groups due to π-π stacking in the oxidized state is suggested as the cause of this conductance drop.

Membrane Orientation of Gαiβ1γ2 and Gβ1 γ2 Determined via Combined Vibrational Spectroscopic Studies

PubMed Central

Yang, Pei; Boughton, Andrew; Homan, Kristoff T.; Tesmer, John J.G.; Chen, Zhan

2013-01-01

The manner in which the heterotrimeric G protein complexes Gβ1γ2 and Gαiβ1γ2 interact with membranes is likely related to their biological function. We combined complementary measurements from sum frequency generation (SFG) vibrational and attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy to determine the possible membrane orientations of Gβ1γ2 and the Gαiβ1γ2 heterotrimer more precisely than could be achieved using SFG alone. The most likely orientations of Gβ1γ2 and the Gαiβ1γ2 heterotrimer were both determined to fall within a similar narrow range of twist and tilt angles, suggesting that Gβ1γ2 may bind to Gαi without a significant change in orientation. This “basal” orientation seems to depend primarily on the geranylgeranylated C-terminus of Gγ2 along with basic residues at the N-terminus of Gαi, and suggests that activated G protein-coupled receptors (GPCRs) must reorient G protein heterotrimers at lipid bilayers to catalyze nucleotide exchange. The innovative methodologies developed in this paper can be widely applied to study the membrane orientation of other proteins in situ. PMID:23461393

Spectroscopic identification of binary and ternary surface complexes of Np(V) on gibbsite.

PubMed

Gückel, Katharina; Rossberg, André; Müller, Katharina; Brendler, Vinzenz; Bernhard, Gert; Foerstendorf, Harald

2013-12-17

For the first time, detailed molecular information on the Np(V) sorption species on amorphous Al(OH)3 and crystalline gibbsite was obtained by in situ time-resolved Attenuated Total Reflection Fourier-Transform Infrared (ATR FT-IR) and Extended X-ray Absorption Fine Structure (EXAFS) spectroscopy. The results consistently demonstrate the formation of mononuclear inner sphere complexes of the NpO2(+) ion irrespective of the prevailing atmospheric condition. The impact of the presence of atmospheric equivalent added carbonate on the speciation in solution and on the surfaces becomes evident from vibrational data. While the 1:1 aqueous carbonato species (NpO2CO3(-)) was found to become predominant in the circumneutral pH range, it is most likely that this species is sorbed onto the gibbsite surface as a ternary inner sphere surface complex where the NpO2(+) moiety is directly coordinated to the functional groups of the gibbsite's surface. These findings are corroborated by results obtained from EXAFS spectroscopy providing further evidence for a bidentate coordination of the Np(V) ion on amorphous Al(OH)3. The identification of the Np(V) surface species on gibbsite constitutes a basic finding for a comprehensive description of the dissemination of neptunium in groundwater systems.

VizieR Online Data Catalog: New redshifts for Abell 1758N galaxies (Boschin+, 2012)

NASA Astrophysics Data System (ADS)

Boschin, W.; Girardi, M.; Barrena, R.; Nonino, M.

2012-06-01

Multi-object spectroscopic observations of A1758N were carried out at the TNG, a 4m-class telescope, in May 2008 and May 2009. We used DOLORES/MOS with the LR-B Grism 1, yielding a dispersion of 187Å/mm. The detector is a 2048x2048 pixels E2V CCD, with a pixel size of 13.5um. In total, we observed four MOS masks (one in 2008 and three in 2009) for a total of 146 slits. (1 data file).

Surface sum-frequency vibrational spectroscopy of nonpolar media

DOE PAGES

Sun, Shumei; Tian, Chuanshan; Shen, Y. Ron

2015-04-27

Sum-frequency generation spectroscopy is surface specific only if the bulk contribution to the signal is negligible. Negligible bulk contribution is, however, not necessarily true, even for media with inversion symmetry. The inevitable challenge is to find the surface spectrum in the presence of bulk contribution, part of which has been believed to be inseparable from the surface contribution. Here, we show that, for nonpolar media, it is possible to separately deduce surface and bulk spectra from combined phase-sensitive sum-frequency vibrational spectroscopic measurements in reflection and transmission. Finally, the study of benzene interfaces is presented as an example.

Titanium and Ruthenium Phthalocyanines for NO2 Sensors: A Mini-Review

PubMed Central

Paoletti, Anna Maria; Pennesi, Giovanna; Rossi, Gentilina; Generosi, Amanda; Paci, Barbara; Albertini, Valerio Rossi

2009-01-01

This review presents studies devoted to the description and comprehension of phenomena connected with the sensing behaviour towards NO2 of films of two phthalocyanines, titanium bis-phthalocyanine and ruthenium phthalocyanine. Spectroscopic, conductometric, and morphological features recorded during exposure to the gas are explained and the mechanisms of gas-molecule interaction are also elucidated. The review also shows how X-ray reflectivity can be a useful tool for monitoring morphological parameters such as thickness and roughness that are demonstrated to be sensitive variables for monitoring the exposure of thin films of sensor materials to NO2 gas. PMID:22346697

Infrared spectroscopic study of radiation-induced adsorption of n-hexane on a beryllium surface

NASA Astrophysics Data System (ADS)

Gadzhieva, N. N.

2017-07-01

Radiation-stimulated adsorption on a beryllium surface is studied by IR reflection-absorption spectroscopy. It is found that γ-irradiation at room temperature leads to the appearance of n-hexane adsorption centers on a beryllium surface according to molecular and dissociation mechanisms. The kinetics of n-hexane adsorption in a Be- n-hexane system is studied; activated dissociative chemisorption accompanied by formation of beryllium alkyls and surface hydrides is observed at absorbed doses 15 kGy ≤ Vγ ≤ 35 kGy. A possible mechanism of this process is suggested.

Magnetic resonance spectroscopic study of parkinsonism related to boxing.

PubMed

Davie, C A; Pirtosek, Z; Barker, G J; Kingsley, D P; Miller, P H; Lees, A J

1995-06-01

Proton magnetic resonance spectroscopy, localised to the lentiform nucleus, was carried out in three ex-professional boxers who developed a parkinsonian syndrome, six patients with idiopathic Parkinson's disease, and six age matched controls. The three ex-boxers all showed a pronounced reduction in the absolute concentration of N-acetylaspartate compared with the patients with idiopathic Parkinson's disease and the control group. This reduction is likely to reflect neuronal loss occurring in the putamen and globus pallidus and supports the hypothesis that the extrapyramidal syndrome that may occur in ex-boxers is a distinct entity from idiopathic Parkinson's disease.

Magnetic resonance spectroscopic study of parkinsonism related to boxing.

PubMed Central

Davie, C A; Pirtosek, Z; Barker, G J; Kingsley, D P; Miller, P H; Lees, A J

1995-01-01

Proton magnetic resonance spectroscopy, localised to the lentiform nucleus, was carried out in three ex-professional boxers who developed a parkinsonian syndrome, six patients with idiopathic Parkinson's disease, and six age matched controls. The three ex-boxers all showed a pronounced reduction in the absolute concentration of N-acetylaspartate compared with the patients with idiopathic Parkinson's disease and the control group. This reduction is likely to reflect neuronal loss occurring in the putamen and globus pallidus and supports the hypothesis that the extrapyramidal syndrome that may occur in ex-boxers is a distinct entity from idiopathic Parkinson's disease. Images PMID:7608666

Investigations of Spectroscopic Factors and Sum Rules from the Single Neutron Transfer Reaction 111Cd(overrightarrow {{d}} ,p)112Cd

NASA Astrophysics Data System (ADS)

Jamieson, D. S.; Garrett, P. E.; Ball, G. C.; Demand, G. A.; Faestermann, T.; Finlay, P.; Green, K. L.; Hertenberger, R.; Krücken, R.; Leach, K. G.; Phillips, A. A.; Sumithrarachchi, C. S.; Triambak, S.; Wirth, H.-F.

2014-03-01

Cadmium isotopes have been presented for decades as excellent examples of vibrational nuclei, with low-lying levels interpreted as multi-phonon quadrupole, octupole, and mixed-symmetry states. A large amount of spectroscopic data has been obtained through various experimental studies of cadmiumisotopes. In the present work, the 111Cd(overrightarrow {{d}} ,p)112Cd reaction was used to investigate the single-particle structure of the 112Cd nucleus. A 22 MeV beam of polarized deuterons was obtained at the Maier-Leibnitz laboratory in Garching, Germany. The reaction ejectiles were momentum analyzed using a Q3D spectrograph, and 130 levels have been identified up to 4.2 MeV of excitation energy. Using DWBA analysis with optical model calculations, spin-parity assignments have been made for observed levels, and spectroscopic factors have been extracted from the experimental angular distributions of differential cross section and analyzing power. In this high energy resolution investigation, many additional levels have been observed compared with the previous (d,p) study using 8 MeV deuterons [1]. There were a total of 44 new levels observed, and the parity assignments of 34 levels were improved.

A CATALOG OF NEW SPECTROSCOPICALLY CONFIRMED MASSIVE OB STARS IN CARINA

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

Alexander, Michael J.; Hanes, Richard J.; McSwain, M. Virginia

2016-12-01

The Carina star-forming region is one of the largest in the Galaxy, and its massive star population is still being unveiled. The large number of stars combined with high, and highly variable, interstellar extinction makes it inherently difficult to find OB stars in this type of young region. We present the results of a spectroscopic campaign to study the massive star population of the Carina Nebula, with the primary goal to confirm or reject previously identified Carina OB star candidates. A total of 141 known O- and B-type stars and 94 candidates were observed, of which 73 candidates had highmore » enough signal-to-noise ratio to classify. We find 23 new OB stars within the Carina Nebula, a 32% confirmation rate. One of the new OB stars has blended spectra and is suspected to be a double-lined spectroscopic binary (SB2). We also reclassify the spectral types of the known OB stars and discover nine new SB2s among this population. Finally, we discuss the spatial distribution of these new OB stars relative to known structures in the Carina Nebula.« less

Molecular weight, polydispersity, and spectroscopic properties of aquatic humic substances

USGS Publications Warehouse

Chin, Y.-P.; Aiken, G.; O'Loughlin, E.

1994-01-01

The number- and weight-averaged molecular weights of a number of aquatic fulvic acids, a commercial humic acid, and unfractionated organic matter from four natural water samples were measured by high-pressure size exclusion chromatography (HPSEC). Molecular weights determined in this manner compared favorably with those values reported in the literature. Both recent literature values and our data indicate that these substances are smaller and less polydisperse than previously believed. Moreover, the molecular weights of the organic matter from three of the four natural water samples compared favorably to the fulvic acid samples extracted from similar environments. Bulk spectroscopic properties of the fulvic substances such as molar absorptivity at 280 nm and the E4/E6 ratio were also measured. A strong correlation was observed between molar absorptivity, total aromaticity, and the weight average molecular weights of all the humic substances. This observation suggests that bulk spectroscopic properties can be used to quickly estimate the size of humic substances and their aromatic contents. Both parameters are important with respect to understanding humic substance mobility and their propensity to react with both organic and inorganic pollutants. ?? 1994 American Chemical Society.

Combined spectroscopic imaging and chemometric approach for automatically partitioning tissue types in human prostate tissue biopsies

NASA Astrophysics Data System (ADS)

Haka, Abigail S.; Kidder, Linda H.; Lewis, E. Neil

2001-07-01

We have applied Fourier transform infrared (FTIR) spectroscopic imaging, coupling a mercury cadmium telluride (MCT) focal plane array detector (FPA) and a Michelson step scan interferometer, to the investigation of various states of malignant human prostate tissue. The MCT FPA used consists of 64x64 pixels, each 61 micrometers 2, and has a spectral range of 2-10.5 microns. Each imaging data set was collected at 16-1 resolution, resulting in 512 image planes and a total of 4096 interferograms. In this article we describe a method for separating different tissue types contained within FTIR spectroscopic imaging data sets of human prostate tissue biopsies. We present images, generated by the Fuzzy C-Means clustering algorithm, which demonstrate the successful partitioning of distinct tissue type domains. Additionally, analysis of differences in the centroid spectra corresponding to different tissue types provides an insight into their biochemical composition. Lastly, we demonstrate the ability to partition tissue type regions in a different data set using centroid spectra calculated from the original data set. This has implications for the use of the Fuzzy C-Means algorithm as an automated technique for the separation and examination of tissue domains in biopsy samples.

Probe pressure effects on human skin diffuse reflectance and fluorescence spectroscopy measurements

PubMed Central

Lim, Liang; Nichols, Brandon; Rajaram, Narasimhan; Tunnell, James W.

2011-01-01

Diffuse reflectance and fluorescence spectroscopy are popular research techniques for noninvasive disease diagnostics. Most systems include an optical fiber probe that transmits and collects optical spectra in contact with the suspected lesion. The purpose of this study is to investigate probe pressure effects on human skin spectroscopic measurements. We conduct an in-vivo experiment on human skin tissue to study the short-term (<2 s) and long-term (>30 s) effects of probe pressure on diffuse reflectance and fluorescence measurements. Short-term light probe pressure (P0 < 9 mN∕mm2) effects are within 0 ± 10% on all physiological properties extracted from diffuse reflectance and fluorescence measurements, and less than 0 ± 5% for diagnostically significant physiological properties. Absorption decreases with site-specific variations due to blood being compressed out of the sampled volume. Reduced scattering coefficient variation is site specific. Intrinsic fluorescence shows a large standard error, although no specific pressure-related trend is observed. Differences in tissue structure and morphology contribute to site-specific probe pressure effects. Therefore, the effects of pressure can be minimized when the pressure is small and applied for a short amount of time; however, long-term and large pressures induce significant distortions in measured spectra. PMID:21280899

Optical Evaluation of Digital Micromirror Devices (DMDs) with UV-Grade Fused Silica, Sapphire, and Magnesium Fluoride Windows and Longterm Reflectance of Bare Devices

NASA Technical Reports Server (NTRS)

Quijada, Manuel A.; Travinsky, Anton; Vorobiev, Dmitry; Ninkov, Zoran; Raisanen, Alan; Robberto, Massimo; Heap, Sara

2016-01-01

Digital micromirror devices (DMDs) are commercial micro-electromechanical systems, consisting of millions of mirrors which can be individually addressed and tilted into one of two states (+/-12deg). These devices were developed to create binary patterns in video projectors, in the visible range. Commercially available DMDs are hermetically sealed and extremely reliable. Recently, DMDs have been identified as an alternative to microshutter arrays for space-based multi-object spectrometers (MOS). Specifically, the MOS at the heart of the proposed Galactic Evolution Spectroscopic Explorer (GESE) uses the DMD as a reprogrammable slit mask. Unfortunately, the protective borosilicate windows limit the use of DMDs in the UV and IR regimes, where the glass has insufficient throughput. In this work, we present our efforts to replace standard DMD windows with custom windows made from UV-grade fused silica, low-absorption optical sapphire (LAOS) and magnesium fluoride (MgF2). We present transmission measurements of the antireflection coated windows and the reflectance of bare (window removed) DMDs. Furthermore, we investigated the long-term stability of the DMD reflectance and experiments for coating DMD active area with a layer of pure aluminum (Al) to boost reflectance performance in the UV spectral range (200-400 nm).

Tracking Diurnal Variation in Photosynthetic Down-Regulation Using Low Cost Spectroscopic Instrumentation

PubMed Central

van Leeuwen, Martin; Kremens, Robert L.; van Aardt, Jan

2015-01-01

Photosynthetic light-use efficiency (LUE) has gained wide interest as an input to modeling forest gross primary productivity (GPP). The photochemical reflectance index (PRI) has been identified as a principle means to inform LUE-based models, using airborne and satellite-based observations of canopy reflectance. More recently, low-cost electronics have become available with the potential to provide for dense in situ time-series measurements of PRI. A recent design makes use of interference filters to record light transmission within narrow wavebands. Uncertainty remains as to the dynamic range of these sensors and performance under low light conditions, the placement of the reference band, and methodology for reflectance calibration. This paper presents a low-cost sensor design and is tested in a laboratory set-up, as well in the field. The results demonstrate an excellent performance against a calibration standard (R2 = 0.9999) and at low light conditions. Radiance measurements over vegetation demonstrate a reversible reduction in green reflectance that was, however, seen in both the reference and signal wavebands. Time-series field measurements of PRI in a Douglas-fir canopy showed a weak correlation with eddy-covariance-derived LUE and a significant decline in PRI over the season. Effects of light quality, bidirectional scattering effects, and possible sensor artifacts on PRI are discussed. PMID:25951342

Optical spectroscopic studies of animal skin used in modeling of human cutaneous tissue

NASA Astrophysics Data System (ADS)

Drakaki, E.; Makropoulou, M.; Serafetinides, A. A.; Borisova, E.; Avramov, L.; Sianoudis, J. A.

2007-03-01

Optical spectroscopy and in particular laser-induced autofluorescence spectroscopy (LIAFS) and diffuse reflectance spectroscopy (DRS), provide excellent possibilities for real-time, noninvasive diagnosis of different skin tissue pathologies. However, the introduction of optical spectroscopy in routine medical practice demands a statistically important data collection, independent from the laser sources and detectors used. The scientists collect databases either from patients, in vivo, or they study different animal models to obtain objective information for the optical properties of various types of normal and diseased tissue. In the present work, the optical properties (fluorescence and reflectance) of two animal skin models are investigated. The aim of using animal models in optical spectroscopy investigations is to examine the statistics of the light induced effects firstly on animals, before any extrapolation effort to humans. A nitrogen laser (λ=337.1 nm) was used as an excitation source for the autofluorescence measurements, while a tungsten-halogen lamp was used for the reflectance measurements. Samples of chicken and pig skin were measured in vitro and were compared with results obtained from measurements of normal human skin in vivo. The specific features of the measured reflectance and fluorescence spectra are discussed, while the limits of data extrapolation for each skin type are also depicted.

Optical evaluation of digital micromirror devices (DMDs) with UV-grade fused silica, sapphire, and magnesium fluoride windows and long-term reflectance of bare devices

NASA Astrophysics Data System (ADS)

Quijada, Manuel A.; Travinsky, Anton; Vorobiev, Dmitry; Ninkov, Zoran; Raisanen, Alan; Robberto, Massimo; Heap, Sara

2016-07-01

Digital micromirror devices (DMDs) are commercial micro-electromechanical systems, consisting of millions of mirrors which can be individually addressed and tilted into one of two states (+/-12°). These devices were developed to create binary patterns in video projectors, in the visible range. Commercially available DMDs are hermetically sealed and extremely reliable. Recently, DMDs have been identified as an alternative to microshutter arrays for space-based multi-object spectrometers (MOS). Specifically, the MOS at the heart of the proposed Galactic Evolution Spectroscopic Explorer (GESE) uses the DMD as a reprogrammable slit mask. Unfortunately, the protective borosilicate windows limit the use of DMDs in the UV and IR regimes, where the glass has insufficient throughput. In this work, we present our efforts to replace standard DMD windows with custom windows made from UV-grade fused silica, low-absorption optical sapphire (LAOS) and magnesium fluoride (MgF2). We present transmission measurements of the antireflection coated windows and the reflectance of bare (window removed) DMDs. Furthermore, we investigated the long-term stability of the DMD reflectance and experiments for coating DMD active area with a layer of pure aluminum (Al) to boost reflectance performance in the UV spectral range (200-400 nm).

Monomeric and dimeric structures analysis and spectroscopic characterization of 3,5-difluorophenylboronic acid with experimental (FT-IR, FT-Raman, 1H and 13C NMR, UV) techniques and quantum chemical calculations

NASA Astrophysics Data System (ADS)

Karabacak, Mehmet; Kose, Etem; Atac, Ahmet; Asiri, Abdullah M.; Kurt, Mustafa

2014-01-01

The spectroscopic properties of 3,5-difluorophenylboronic acid (3,5-DFPBA, C6H3F2B(OH)2) were investigated by FT-IR, FT-Raman UV-Vis, 1H and 13C NMR spectroscopic techniques. FT-IR (4000-400 cm-1) and FT-Raman spectra (3500-10 cm-1) in the solid phase and 1H and 13C NMR spectra in DMSO solution were recorded. The UV spectra that dissolved in ethanol and water were recorded in the range of 200-400 nm for each solution. The structural and spectroscopic data of the molecule have been obtained for possible three conformers from DFT (B3LYP) with 6-311++G(d,p) basis set calculations. The geometry of the molecule was fully optimized, vibrational spectra were calculated and fundamental vibrations were assigned on the basis of the total energy distribution (TED) of the vibrational modes, calculated with scaled quantum mechanics (SQM) method and PQS program. Hydrogen-bonded dimer of title molecule, optimized by counterpoise correction, was also studied B3LYP at the 6-311++G(d,p) level and the effects of molecular association through O-H⋯O hydrogen bonding have been discussed. 1H and 13C NMR chemical shifts were calculated by using the gauge-invariant atomic orbital (GIAO) method. The electronic properties, such as excitation energies, oscillator strength, wavelengths, HOMO and LUMO energies, were performed by time-dependent density functional theory (TD-DFT) results complements with the experimental findings. Total and partial density of state (TDOS and PDOS) and also overlap population density of state (OPDOS) diagrams analysis were presented. The effects due to the substitutions of boric acid group and halogen were investigated. The results of the calculations were applied to simulate spectra of the title compound, which show excellent agreement with observed spectra. Besides, frontier molecular orbitals (FMO), molecular electrostatic potential (MEP), nonlinear optical properties (NLO) and thermodynamic features were performed.

In situ NIR reflectance and LIBS measurements in lava tubes in preparation for future Mars missions

NASA Astrophysics Data System (ADS)

Leveille, R.; Sobron, P.

2017-12-01

The ATiLT (Astrobiology Training in Lava Tubes) program addresses Mars astrobiology exploration objectives by performing field work and instrumental analyses in lava tubes as high fidelity analog environments to putative lava tubes on Mars. The main field location for ATiLT is the Lava Beds National Monument (LABE) in Northern California. LABE is situated on the lower north flank of the Medicine Lake Volcano of the Cascade arc. This location features hundreds of caves, most of which are relatively shallow, typically well above the water table, reaching 20-45m below land surface at their maximum depth. Some LABE caves feature `cold sinks' where cold air sinks and becomes trapped in deeper cave passages, thus allowing perennial ice to accumulate despite above freezing surface temperatures. Several lava tube caves in LABE also contain seasonal or perennial ice accumulations, which makes them excellent analogs to Mars lava tubes where the presence of ice has been predicted. While lava tubes are very attractive systems to test hypotheses related to habitability and the possibility for life on Mars, at present there are no comprehensive in-situ instrument-driven characterizations of the mineralogy and geochemistry of lava tubes. ATiLT fills this gap by providing detailed, in-situ investigations with scientific instruments relevant to Mars exploration. Our aim is to help constrain future exploration targets on Mars and define future mission operations and requirements. For this purpose, in May 2017 we carried out a field campaign in several lava tubes at LABE. We deployed two miniature spectroscopic sensors suitable for dark, humid, cave conditions: NIR reflectance (1-5 μm) and LIBS (300-900 nm). The advantages of combining NIR reflectance and LIBS are evident: LIBS can reveal the relative concentration of major (and often trace) elements present in a bulk sample, whereas NIR reflectance yields information on the individual mineral species and their chemical and structural nature. We focused on secondary mineral precipitates and microbial mats, which are preserved in relatively stable physico-chemical conditions. This combination leads to formation and preservation of microbial biosignatures, or traces of life, in mineral deposits, which we detected and identified using our spectroscopic sensor suite.

Measurements of radiatively active tropo-stratospheric constituents over the northern Tien Shan (Kyrgyzstan)

NASA Astrophysics Data System (ADS)

Semenov, V.; Sinyakov, V.; Aref'ev, V.; Kashin, F.; Kamenogradsky, N.

2003-04-01

The results of long-term (from 15 to 22 years) continuous measurements of ozone, nitrogen dioxide, water vapor and carbon dioxide total contents in the atmosphere; and of its spectral transparency in the visible range and aerosol optical depth are presented. The measurements were carried out on Issyk Kul station (42.6 N, 77 E, 1650 m a.s.l.) in center of the Eurasian continent (Northern Tien Shan, the Issyk Kul lake) by the spectroscopic method with the use of the sun as a radiation source. Issyk Kul station belong NDSC complementary network. Total ozone is determined by the multiwave method according to the results of solar radiation absorption measurements at 6 wave lengths: 303.3; 305.2; 308.6; 311.0; 313.8 and 315.0 nm coinciding with maxima in the spectrum having a quasilinear structure. The method of CO2 measurements is based on the measurement of solar radiation transmission through the atmosphere with a mean spectral resolution of about 3 cm-1 in the carbon dioxide absorption band with the center near 2.06 micron. The measurement results obtained by this method have low sensitivity to CO2 local sources-sinks. To control water vapor content by the spectroscopic method a narrow section (about 2.04 micron) of the atmospheric spectrum was registered in the wing of CO2 absorption band with the center at about 2.06 micron. Such a choice of the spectrum section provides simultaneous determination of H2O and CO2 contents with one and the same record of a solar radiation spectrum. The measurements of total nitrogen dioxide were carried out with the use of the spectroscopic instrumentation set by the three-wave-length twilight method. For determining NO2 the intensity of the solar radiation at the wave lengths of 437.6, 439.8 and 442.0 nm scattered in the atmosphere were registered at the zenith angles of 85-92 degrees at sunrise and sunset. The changes of mean monthly and annual values of the atmospheric components studied were considered. Seasonal and other variations with different periods and trends were revealed: positive for total carbon dioxide (0.45+/-0.01)% a yr, total water vapor (0.8+/-0.5)% a yr, total nitrogen dioxide (1.44+/-0.08)% yr and for spectral transparencies (0.37+/-0.07)% a yr; and negative for total ozone (0.44+/-0.08)% a yr. The measurements results were compared to one another and to some meteorological and geophysical parameters and phenomena. The studies have been carries out under a financial support of the International Science and Technology Center (Grant ISTC Kr-763.

VizieR Online Data Catalog: SNe type II from CSP-I, SDSS-II, and SNLS (de Jaeger+, 2017)

NASA Astrophysics Data System (ADS)

de Jaeger, T.; Gonzalez-Gaitan, S.; Hamuy, M.; Galbany, L.; Anderson, J. P.; Phillips, M. M.; Stritzinger, M. D.; Carlberg, R. G.; Sullivan, M.; Gutierrez, C. P.; Hook, I. M.; Howell, D. A.; Hsiao, E. Y.; Kuncarayakti, H.; Ruhlmann-Kleider, V.; Folatelli, G.; Pritchet, C.; Basa, S.

2017-10-01

The CSP-I (Carnegie Supernova Project-I) had guaranteed access to ~300 nights per year between 2004 and 2009 on the Swope 1m and du Pont 2.5m telescopes at the Las Campanas Observatory (LCO). This observation time allowed the CSP-I to obtain optical-band light curves for 67 SNe II. From the CSP-I sample, we remove six outliers. The SDSS-II SN Survey operated for three years, from 2005 September to 2007 November. Using the 2.5m telescope at the Apache Point Observatory in New Mexico. This survey observed about 80 spectroscopically confirmed core-collapse SNe but the main driver of this project was the study of SNe Ia, involving the acquisition of only one or two spectra per SNe II. The total SDSS-II SN sample is composed of 16 spectroscopically confirmed SNe II. The SNLS (Supernova Legacy Survey) was designed to discover SNe and to obtain photometric follow-up using the MegaCam imager on the 3.6m Canada-France-Hawaii Telescope. The observation strategy consisted of obtaining images of the same field every four nights over five years (between 2003 and 2008); thus, in total more than 470 nights were allocated to this project. The total SNLS sample is composed of 28 SNeII. See section 2 for further explanations on the data sample. (1 data file).

Publications - GMC 30 | Alaska Division of Geological & Geophysical Surveys

Science.gov Websites

DGGS GMC 30 Publication Details Title: Geochemical analysis (total organic carbon, rock-eval pyrolysis , Geochemical analysis (total organic carbon, rock-eval pyrolysis, vitrinite reflectance and gc/ms chromato (1.3 M) Keywords Pyrolysis; Rock-Eval Pyrolysis; Total Organic Carbon; Vitrinite Reflectance Top of

Publications - GMC 207 | Alaska Division of Geological & Geophysical

Science.gov Websites

DGGS GMC 207 Publication Details Title: Total organic carbon, rock-eval, and vitrinite reflectance data for more information. Bibliographic Reference Unknown, 1993, Total organic carbon, rock-eval, and Report Information gmc207.pdf (165.0 K) Keywords Total Organic Carbon; Vitrinite Reflectance Top of Page

Publications - GMC 60 | Alaska Division of Geological & Geophysical Surveys

Science.gov Websites

DGGS GMC 60 Publication Details Title: Total organic carbon, rock-eval pyrolysis, and vitrinite , Total organic carbon, rock-eval pyrolysis, and vitrinite reflectance geochemical data for the Nechelik (125.0 K) Keywords Pyrolysis; Rock-Eval Pyrolysis; Total Organic Carbon; Vitrinite Reflectance Top of

Publications - GMC 62 | Alaska Division of Geological & Geophysical Surveys

Science.gov Websites

DGGS GMC 62 Publication Details Title: Total organic carbon, rock-eval pyrolysis, and vitrinite . Bibliographic Reference Unknown, 1985, Total organic carbon, rock-eval pyrolysis, and vitrinite reflectance Pyrolysis; Total Organic Carbon; Vitrinite Reflectance Top of Page Department of Natural Resources, Division

Publications - GMC 286 | Alaska Division of Geological & Geophysical

Science.gov Websites

DGGS GMC 286 Publication Details Title: Total organic carbon (TOC), rock-eval, vitrinite reflectance publication sales page for more information. Bibliographic Reference DGSI, Inc., 1999, Total organic carbon Products Report Report Information gmc286.pdf (2.0 M) Keywords Total Organic Carbon; Vitrinite Reflectance

Publications - GMC 59 | Alaska Division of Geological & Geophysical Surveys

Science.gov Websites

DGGS GMC 59 Publication Details Title: Total organic carbon, rock-eval pyrolysis, and vitrinite . Bibliographic Reference Unknown, 1985, Total organic carbon, rock-eval pyrolysis, and vitrinite reflectance -Eval Pyrolysis; Total Organic Carbon; Vitrinite Reflectance Top of Page Department of Natural Resources

Improvement of Electropolishing of 1100 Al Alloy for Solar Thermal Applications

NASA Astrophysics Data System (ADS)

Aguilar-Sierra, Sara María; Echeverría E, Félix

2018-03-01

Aluminum sheets-based mirrors are finding applicability in high-temperature solar concentrating technologies because they are cost-effective, lightweight and have high mechanical properties. Nonetheless, the reflectance percentages obtained by electropolishing are not close to the reflectance values of the currently used evaporated films. Therefore, controlling key factors affecting electropolishing processes became essential in order to achieve highly reflective aluminum surfaces. This study investigated the effect of both the electropolishing process and previous heat treatment on the total reflectance of the AA 1100 aluminum alloy. An acid electrolyte and a modified Brytal process were evaluated. Total reflectance was measured by means of UV-Vis spectrophotometry. Reflectance values higher than 80% at 600 nm were achieved for both electrolytes. Optical microscopy and scanning electron microscopy images showed uneven dissolution for the acid electropolished samples causing a reflectance drop in the 200-450 nm region. The influence of heat treatment, previously to electropolishing, was tested at two different temperatures and various holding times. It was found that reflectance increases around 15% for the heat-treated and electropolished samples versus the non-heat-treated ones. A heat treatment at low temperature combined with a short holding time was enough to improve the sample total reflectance.

Long-Term Trends of Carbon Monoxide Total Columnar Amount in Urban Areas and Background Regions: Ground- and Satellite-based Spectroscopic Measurements

NASA Astrophysics Data System (ADS)

Wang, Pucai; Elansky, N. F.; Timofeev, Yu. M.; Wang, Gengchen; Golitsyn, G. S.; Makarova, M. V.; Rakitin, V. S.; Shtabkin, Yu.; Skorokhod, A. I.; Grechko, E. I.; Fokeeva, E. V.; Safronov, A. N.; Ran, Liang; Wang, Ting

2018-07-01

A comparative study was carried out to explore carbon monoxide total columnar amount (CO TC) in background and polluted atmosphere, including the stations of ZSS (Zvenigorod), ZOTTO (Central Siberia), Peterhof, Beijing, and Moscow, during 1998-2014, on the basis of ground- and satellite-based spectroscopic measurements. Interannual variations of CO TC in different regions of Eurasia were obtained from ground-based spectroscopic observations, combined with satellite data from the sensors MOPITT (2001-14), AIRS (2003-14), and IASI MetOp-A (2010-13). A decreasing trend in CO TC (1998-2014) was found at the urban site of Beijing, where CO TC decreased by 1.14%±0.87% yr-1. Meanwhile, at the Moscow site, CO TC decreased remarkably by 3.73%±0.39% yr-1. In the background regions (ZSS, ZOTTO, Peterhof), the reduction was 0.9%-1.7% yr-1 during the same period. Based on the AIRSv6 satellite data for the period 2003-14, a slight decrease (0.4%-0.6% yr-1) of CO TC was detected over the midlatitudes of Eurasia, while a reduction of 0.9%-1.2% yr-1 was found in Southeast Asia. The degree of correlation between the CO TC derived from satellite products (MOPITTv6 Joint, AIRSv6 and IASI MetOp-A) and ground-based measurements was calculated, revealing significant correlation in unpolluted regions. While in polluted areas, IASI MetOp-A and AIRSv6 data underestimated CO TC by a factor of 1.5-2.8. On average, the correlation coefficient between ground- and satellite-based data increased significantly for cases with PBL heights greater than 500 m.

Spectroscopic Biomarkers for Monitoring Wound Healing and Infection in Combat Wounds

DTIC Science & Technology

2012-10-29

injuries, burns, acute vascular disruption, blastwave-associated pressure injuries, air, thrombotic, and fat embolism , and compartment syndrome. In...damage and compromised local circulation often associated with overt vascular injury. These injuries include traumatic amputations, open fractures , crush...HO formation has been observed following orthopedic surgery (total hip arthroplasty as well as acetabular and elbow fracture surgery), burn injury

VizieR Online Data Catalog: Chemical compositions of 11 RR Lyrae (For+, 2011)

NASA Astrophysics Data System (ADS)

For, B.-Q.; Sneden, C.; Preston, G. W.

2012-01-01

The spectroscopic data were obtained with the du Pont 2.5m telescope at the Las Campanas Observatory (LCO), using a cross-dispersed echelle spectrograph with a total wavelength coverage of 3500-9000Å. See Section 3 of For et al. 2011, Cat. J/ApJS/194/38, for details of data reduction. (4 data files).

Optical spectroscopic followup of XMMSL1 J164303.7+653253 in the error box of IGR J16426+6536

NASA Astrophysics Data System (ADS)

Parisi, P.; Masetti, N.; Malizia, A.; Morelli, L.; Mason, E.; Dean, A. J.; Ubertini, P.

2008-10-01

We report on a spectroscopic observation of the optical object USNO-A2.0 1500-06133361 (with J2000 coordinates RA = 16 43 04.07, Dec = +65 32 50.9 and magnitude R ~ 18.9) inside the error circle of the XMM-Newton slew source XMMLS1 J164303.7+653253 (see Ibarra et al., ATel #1397), possibly associated with the unidentified INTEGRAL source IGR J16426+6536 (Bird et al. 2007, ApJS, 170, 175). The observations were performed on 2008 February 04, starting at 06:10 UT, with DOLORES, a focal reducer instrument installed on the 3.58m Telescopio Nazionale Galileo (TNG) in the Astronomical Observatory of Roque de Los Muchachos (Santa Cruz de La Palma, Spain), for a total exposure time of 1800 s.

Photometric redshifts and clustering of emission line galaxies selected jointly by DES and eBOSS

DOE PAGES

Jouvel, S.; Delubac, T.; Comparat, J.; ...

2017-03-24

We present the results of the first test plates of the extended Baryon Oscillation Spectroscopic Survey. This paper focuses on the emission line galaxies (ELG) population targetted from the Dark Energy Survey (DES) photometry. We analyse the success rate, efficiency, redshift distribution, and clustering properties of the targets. From the 9000 spectroscopic redshifts targetted, 4600 have been selected from the DES photometry. The total success rate for redshifts between 0.6 and 1.2 is 71\\% and 68\\% respectively for a bright and faint, on average more distant, samples including redshifts measured from a single strong emission line. We find a meanmore » redshift of 0.8 and 0.87, with 15 and 13\\% of unknown redshifts respectively for the bright and faint samples. In the redshift range 0.6« less

Photometric redshifts and clustering of emission line galaxies selected jointly by DES and eBOSS

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

Jouvel, S.; Delubac, T.; Comparat, J.

We present the results of the first test plates of the extended Baryon Oscillation Spectroscopic Survey. This paper focuses on the emission line galaxies (ELG) population targetted from the Dark Energy Survey (DES) photometry. We analyse the success rate, efficiency, redshift distribution, and clustering properties of the targets. From the 9000 spectroscopic redshifts targetted, 4600 have been selected from the DES photometry. The total success rate for redshifts between 0.6 and 1.2 is 71\\% and 68\\% respectively for a bright and faint, on average more distant, samples including redshifts measured from a single strong emission line. We find a meanmore » redshift of 0.8 and 0.87, with 15 and 13\\% of unknown redshifts respectively for the bright and faint samples. In the redshift range 0.6« less

Characterization of SiGe/Ge heterostructures and graded layers using variable angle spectroscopic ellipsometry

NASA Technical Reports Server (NTRS)

Croke, E. T.; Wang, K. L.; Heyd, A. R.; Alterovitz, S. A.; Lee, C. H.

1996-01-01

Variable angle spectroscopic ellipsometry (VASE) has been used to characterize Si(x)Ge(1-x)/Ge superlattices (SLs) grown on Ge substrates and thick Si(x)Ge(1-x)/Ge heterostructures grown on Si substrates. Our VASE analysis yielded the thicknesses and alloy compositions of all layers within the optical penetration depth of the surface. In addition, strain effects were observed in the VASE results for layers under both compressive and tensile strain. Results for the SL structures were found to be in close agreement with high resolution x-ray diffraction measurements made on the same samples. The VASE analysis has been upgraded to characterize linearly graded Si(x)Ge(1-x) buffer layers. The algorithm has been used to determine the total thickness of the buffer layer along with the start and end alloy composition by breaking the total thickness into many (typically more than 20) equal layers. Our ellipsometric results for 1 (mu)m buffer layers graded in the ranges 0.7 less than or = x less than or = 1.0, and 0.5 less than or = x less than or = 1.0 are presented, and compare favorably with the nominal values.

Automatic classification of fluorescence and optical diffusion spectroscopy data in neuro-oncology

NASA Astrophysics Data System (ADS)

Savelieva, T. A.; Loshchenov, V. B.; Goryajnov, S. A.; Potapov, A. A.

2018-04-01

The complexity of the biological tissue spectroscopic analysis due to the overlap of biological molecules' absorption spectra, multiple scattering effect, as well as measurement geometry in vivo has caused the relevance of this work. In the neurooncology the problem of tumor boundaries delineation is especially acute and requires the development of new methods of intraoperative diagnosis. Methods of optical spectroscopy allow detecting various diagnostically significant parameters non-invasively. 5-ALA induced protoporphyrin IX is frequently used as fluorescent tumor marker in neurooncology. At the same time analysis of the concentration and the oxygenation level of haemoglobin and significant changes of light scattering in tumor tissues have a high diagnostic value. This paper presents an original method for the simultaneous registration of backward diffuse reflectance and fluorescence spectra, which allows defining all the parameters listed above simultaneously. The clinical studies involving 47 patients with intracranial glial tumors of II-IV Grades were carried out in N.N. Burdenko National Medical Research Center of Neurosurgery. To register the spectral dependences the spectroscopic system LESA- 01-BIOSPEC was used with specially developed w-shaped diagnostic fiber optic probe. The original algorithm of combined spectroscopic signal processing was developed. We have created a software and hardware, which allowed (as compared with the methods currently used in neurosurgical practice) to increase the sensitivity of intraoperative demarcation of intracranial tumors from 78% to 96%, specificity of 60% to 82%. The result of analysis of different techniques of automatic classification shows that in our case the most appropriate is the k Nearest Neighbors algorithm with cubic metrics.

Understanding Solar Coronal Heating through Atomic and Plasma Physics Experiments

NASA Astrophysics Data System (ADS)

Savin, Daniel Wolf; Arthanayaka, Thusitha; Bose, Sayak; Hahn, Michael; Beiersdorfer, Peter; Brown, Gregory V.; Gekelman, Walter; Vincena, Steve

2017-08-01

Recent solar observations suggest that the Sun's corona is heated by Alfven waves that dissipate at unexpectedly low heights in the corona. These observations raise a number of questions. Among them are the problems of accurately quantifying the energy flux of the waves and that of describing the physical mechanism that leads to the wave damping. We are performing laboratory experiments to address both of these issues.The energy flux depends on the electron density, which can be measured spectroscopically. However, spectroscopic density diagnostics have large uncertainties, because they depend sensitively on atomic collisional excitation, de-excitation, and radiative transition rates for multiple atomic levels. Essentially all of these data come from theory and have not been experimentally validated. We are conducting laboratory experiments using the electron beam ion trap (EBIT) at Lawrence Livermore National Laboratory that will provide accurate empirical calibrations for spectroscopic density diagnostics and which will also help to guide theoretical calculations.The observed rapid wave dissipation is likely due to inhomogeneities in the plasma that drive flows and currents at small length scales where energy can be more efficiently dissipated. This may take place through gradients in the Alfvén speed along the magnetic field, which causes wave reflection and generates turbulence. Alternatively, gradients in the Alfvén speed across the field can lead to dissipation through phase-mixing. Using the Large Plasma Device (LAPD) at the University of California Los Angeles, we are studying both of these dissipation mechanisms in the laboratory in order to understand their potential roles in coronal heating.

Understanding Solar Coronal Heating through Atomic and Plasma Physics Experiments

NASA Astrophysics Data System (ADS)

Savin, Daniel Wolf; Arthanayaka, Thusitha; Beiersdorfer, Peter; Brown, Gregory V.; Gekelman, Walter; Hahn, Michael; Vincena, Steve

2017-06-01

Recent solar observations suggest that the Sun's corona is heated by Alfven waves that dissipate at unexpectedly low heights in the corona. These observations raise a number of questions. Among them are the problems of accurately quantifying the energy flux of the waves and that of describing the physical mechanism that leads to the wave damping. We are performing laboratory experiments to address both of these issues.The energy flux depends on the electron density, which can be measured spectroscopically. However, spectroscopic density diagnostics have large uncertainties, because they depend sensitively on atomic collisional excitation, de-excitation, and radiative transition rates for multiple atomic levels. Essentially all of these data come from theory and have not been experimentally validated. We are conducting laboratory experiments using the electron beam ion trap (EBIT) at Lawrence Livermore National Laboratory that will provide accurate empirical calibrations for spectroscopic density diagnostics and which will also help to guide theoretical calculations.The observed rapid wave dissipation is likely due to inhomogeneities in the plasma that drive flows and currents at small length scales where energy can be more efficiently dissipated. This may take place through gradients in the Alfven speed along the magnetic field, which causes wave reflection and generates turbulence. Alternatively, gradients in the Alfven speed across the field can lead to dissipation through phase-mixing. Using the Large Plasma Device (LAPD) at the University of California Los Angeles, we are studying both of these dissipation mechanisms in the laboratory in order to understand their potential roles in coronal heating.

Reconstructing the colour palette of the Konstantinos Parthenis' burnt paintings.

PubMed

Antonopoulou-Athera, N; Chatzitheodoridis, E; Terlixi, A; Doulgerides, M; Serafetinides, A A

2018-05-09

This case study focuses on the reconstruction of the colour palette and the possibility of laser cleaning of burnt paintings. The paintings ORPHEUS IN THE UNDERWORLD and CONCORDIA, composed by the Greek artist Konstantinos Parthenis (1878-1967), have been severely damaged by fire. The colour palette of Parthenis is thoroughly investigated for the first time, and to perform this, a multi-analytical spectroscopic approach was employed. Non-destructive in situ analysis was performed on multiple areas of the paintings by portable XRF. SEM-EDS and Raman, supported by reflected visible light optical microscopy, and ultraviolet light microscopy, as well as structural XRD and molecular FTIR were performed for identifying the pigments, the binder and the substrate of the paintings. This work also unveiled new aspects of the painting technique used by the artist, such as the uncommon use of multiple pigments of red hue in the upper paint layers, comparatively with the rest of Parthenis' paintings. Molecular spectroscopic techniques (i.e., Raman and FTIR) were effective in identifying pigments like chrome yellow (crocoite mineral), chrome orange (phoenicochroite mineral) and viridian green (hydrated chromium oxide). The spectroscopic analyses were also essential in the laser cleaning restoration because of the detection of pigments (i.e., lead white, vermilion etc.) prone to phase transformations due to photothermal and/or photochemical effects. Our investigation establishes the basis on the application of non-conventional cleaning methods on damaged paintings, such as laser irradiation, in order to remove the damaged layer and/or the superficial accretions, while preserving the hues of the original painting. Copyright © 2018 Elsevier B.V. All rights reserved.

Nondestructive multispectral reflectoscopy between 800 and 1900 nm: An instrument for the investigation of the stratigraphy in paintings.

PubMed

Karagiannis, G; Salpistis, Chr; Sergiadis, G; Chryssoulakis, Y

2007-06-01

In the present work, a powerful tool for the investigation of paintings is presented. This permits the tuneable multispectral real time imaging between 200 and 5000 nm and the simultaneous multispectral acquisition of spectroscopic data from the same region. We propose the term infrared reflectoscopy for tuneable infrared imaging in paintings (Chryssonlakis and Chassery, The Application of Physicochemical Methods of Analysis and Image Processing Techniques to Painted Works of Art, Erasmus Project ICP-88-006-6, Athens, June, 1989) for a technique that is effective especially when the spectroscopic data acquisition is performed between 800 and 1900 nm. Elements such as underdrawings, old damage that is not visible to the naked eye, later interventions or overpaintings, hidden signatures, nonvisible inscriptions, and authenticity features can thus be detected with the overlying paint layers becoming successively "transparent" due to the deep infrared penetration. The spectroscopic data are collected from each point of the studied area with a 5 nm step through grey level measurement, after adequate infrared reflectance (%R) and curve calibration. The detection limits of the infrared detector as well as the power distribution of the radiation coming out through the micrometer slit assembly of the monochromator in use are also taken into account. Inorganic pigments can thus be identified and their physicochemical properties directly compared to the corresponding infrared images at each wavelength within the optimum region. In order to check its effectiveness, this method was applied on an experimental portable icon of a known stratigraphy.

Tumor necrosis factor interaction with gold nanoparticles

NASA Astrophysics Data System (ADS)

Tsai, De-Hao; Elzey, Sherrie; Delrio, Frank W.; Keene, Athena M.; Tyner, Katherine M.; Clogston, Jeffrey D.; Maccuspie, Robert I.; Guha, Suvajyoti; Zachariah, Michael R.; Hackley, Vincent A.

2012-05-01

We report on a systematic investigation of molecular conjugation of tumor necrosis factor-α (TNF) protein onto gold nanoparticles (AuNPs) and the subsequent binding behavior to its antibody (anti-TNF). We employ a combination of physical and spectroscopic characterization methods, including electrospray-differential mobility analysis, dynamic light scattering, polyacrylamide gel electrophoresis, attenuated total reflectance-Fourier transform infrared spectroscopy, fluorescence assay, and enzyme-linked immunosorbent assay. The native TNF used in this study exists in the active homotrimer configuration prior to conjugation. After binding to AuNPs, the maximum surface density of TNF is (0.09 +/- 0.02) nm-2 with a binding constant of 3 × 106 (mol L-1)-1. Dodecyl sulfate ions induce desorption of monomeric TNF from the AuNP surface, indicating a relatively weak intermolecular binding within the AuNP-bound TNF trimers. Anti-TNF binds to both TNF-conjugated and citrate-stabilized AuNPs, showing that non-specific binding is significant. Based on the number of anti-TNF molecules adsorbed, a substantially higher binding affinity was observed for the TNF-conjugated surface. The inclusion of thiolated polyethylene glycol (SH-PEG) on the AuNPs inhibits the binding of anti-TNF, and the amount of inhibition is related to the number ratio of surface bound SH-PEG to TNF and the way in which the ligands are introduced. This study highlights the challenges in quantitatively characterizing complex hybrid nanoscale conjugates, and provides insight on TNF-AuNP formation and activity.We report on a systematic investigation of molecular conjugation of tumor necrosis factor-α (TNF) protein onto gold nanoparticles (AuNPs) and the subsequent binding behavior to its antibody (anti-TNF). We employ a combination of physical and spectroscopic characterization methods, including electrospray-differential mobility analysis, dynamic light scattering, polyacrylamide gel electrophoresis, attenuated total reflectance-Fourier transform infrared spectroscopy, fluorescence assay, and enzyme-linked immunosorbent assay. The native TNF used in this study exists in the active homotrimer configuration prior to conjugation. After binding to AuNPs, the maximum surface density of TNF is (0.09 +/- 0.02) nm-2 with a binding constant of 3 × 106 (mol L-1)-1. Dodecyl sulfate ions induce desorption of monomeric TNF from the AuNP surface, indicating a relatively weak intermolecular binding within the AuNP-bound TNF trimers. Anti-TNF binds to both TNF-conjugated and citrate-stabilized AuNPs, showing that non-specific binding is significant. Based on the number of anti-TNF molecules adsorbed, a substantially higher binding affinity was observed for the TNF-conjugated surface. The inclusion of thiolated polyethylene glycol (SH-PEG) on the AuNPs inhibits the binding of anti-TNF, and the amount of inhibition is related to the number ratio of surface bound SH-PEG to TNF and the way in which the ligands are introduced. This study highlights the challenges in quantitatively characterizing complex hybrid nanoscale conjugates, and provides insight on TNF-AuNP formation and activity. Electronic supplementary information (ESI) available: Experimental procedures, instrumentation, materials and calculations. See DOI: 10.1039/c2nr30415e

Spectroscopic surrogates of soil organic matter resilience in crusted semiarid Mediterranean ecosystems

NASA Astrophysics Data System (ADS)

Miralles Mellado, Isabel; Almendros, Gonzalo; Ortega, Raúl; Cantón, Yolanda; Poveda, Francisco; van Wesemael, Bas

2016-04-01

Arid and semiarid ecosystems represent nearly a third of the Earth's total land surface. In these ecosystems, there is a critical balance between C sequestration and biodegradation that could easily be altered due to human disturbance or global change. These ecosystems are widely characterized by the presence of biological soil crusts (BSCs) which play the most important role in the C-cycle in arid and semiarid areas. Consequently, soil organic matter (SOM) characteristics of crusted soil could readily reflect important information on the resilience of SOM in response to any global temperature increase or to inappropriate soil management practices. In this research, representative BSCs and underlying soils were studied in two different semiarid ecosystems in Southern Spain, i.e., Amoladeras (located in Cabo de Gata Natural Park), and El Cautivo (located in Tabernas desert). Chemical fractionation and characterization of the SOM in BSCs and underlying soils were carried out in order to assess not only the total amount of organic C sequestered but mainly the quality of humic-type organic fractions. After isolating the major organic fractions (particulate fraction, humic acid-like (HA), alkali-extracted fulvic acid (FA) and H3PO4-FAs), the macromolecular, HA fraction was purified and studied by derivative visible spectroscopy and resolution-enhanced infrared (IR) spectroscopy. Our results show differences in the structural characteristics of the HA-type substances, interpreted as progressive stages of diagenetic transformation of biomacromolecules. Amoladeras showed higher SOM content, and higher values of HA and HA/FA ratio than El Cautivo, with lower SOM content in BSCs and underlying soils. The latter site accumulates SOM consisting mainly of comparatively less recalcitrant organic fractions with small molecular sizes (H3PO4-FAs and FAs). Moreover HAs in samples from Amoladeras showed higher condensation and aromaticity (higher E4, lower E4/E6 ratio), pointing to increased maturation compared to HAs from El Cautivo. Measurable concentrations of perylenequinonic fungal pigments were also observed in the case of the soils under BSCs at Amoladeras, an indication for stable immobilization in the soil mineral matrix. In fact, the concentration of fungal pigments in the HA fraction of the soil under BSCs in Almoladeras are a proxy for the formation and stability of a clay-humus complex. The HAs in BSCs and their underlying soil at El Cautivo did not show these fungal pigments, which is interpreted as a lower complexity of the BSC and plant-soil trophic system, and concomitantly lower SOM quality. In general, the HA characteristics in crusted soils from Amoladeras (chromophore groups, broadband spectroscopic profiles pointing to chaotic structures…) suggest stronger resistance to biodegradability and higher potential for maintaining its properties against global warming compared to El Cautivo, in which HA features indicate comparatively lower resilience irrespective of global change. Our results showed that the spectroscopic characteristics in the visible and IR ranges of the BSCs-isolated HA-type substances might provide routine biogeochemical proxies informing on the SOM stability and quality from crusted semiarid ecosystems in the current scenario of global change.

Dynamical measurement of refractive index distribution using digital holographic interferometry based on total internal reflection.

PubMed

Zhang, Jiwei; Di, Jianglei; Li, Ying; Xi, Teli; Zhao, Jianlin

2015-10-19

We present a method for dynamically measuring the refractive index distribution in a large range based on the combination of digital holographic interferometry and total internal reflection. A series of holograms, carrying the index information of mixed liquids adhered on a total reflection prism surface, are recorded with CCD during the diffusion process. Phase shift differences of the reflected light are reconstructed exploiting the principle of double-exposure holographic interferometry. According to the relationship between the reflection phase shift difference and the liquid index, two dimensional index distributions can be directly figured out, assuming that the index of air near the prism surface is constant. The proposed method can also be applied to measure the index of solid media and monitor the index variation during some chemical reaction processes.

Electrowetting-actuated optical switch based on total internal reflection.

PubMed

Liu, Chao; Wang, Di; Yao, Li-Xiao; Li, Lei; Wang, Qiong-Hua

2015-04-01

In this paper we demonstrate a liquid optical switch based on total internal reflection. Two indium tin oxide electrodes are fabricated on the bottom substrate. A conductive liquid (Liquid 1) is placed on one side of the chamber and surrounded by a density-matched silicone oil (Liquid 2). In initial state, when the light beam illuminates the interface of the two liquids, it just meets the conditions of total internal reflection. The light is totally reflected by Liquid 2, and the device shows light-off state. When we apply a voltage to the other side of the indium tin oxide electrode, Liquid 1 stretched towards this side of the substrate and the curvature of the liquid-liquid interface changes. The light beam is refracted by Liquid 1 and the device shows light-on state. So the device can achieve the functions of an optical switch. Because the light beam can be totally reflected by the liquid, the device can attain 100% light intensity attenuation. Our experiments show that the response time from light-on (off) to light-off (on) are 130 and 132 ms, respectively. The proposed optical switch has potential applications in variable optical attenuators, information displays, and light shutters.

Measuring the scatter in the cluster optical richness-mass relation with machine learning

NASA Astrophysics Data System (ADS)

Boada, Steven Alvaro

The distribution of massive clusters of galaxies depends strongly on the total cosmic mass density, the mass variance, and the dark energy equation of state. As such, measures of galaxy clusters can provide constraints on these parameters and even test models of gravity, but only if observations of clusters can lead to accurate estimates of their total masses. Here, we carry out a study to investigate the ability of a blind spectroscopic survey to recover accurate galaxy cluster masses through their line-of- sight velocity dispersions (LOSVD) using probability based and machine learning methods. We focus on the Hobby Eberly Telescope Dark Energy Experiment (HETDEX), which will employ new Visible Integral-Field Replicable Unit Spectrographs (VIRUS), over 420 degree2 on the sky with a 1/4.5 fill factor. VIRUS covers the blue/optical portion of the spectrum (3500 - 5500 A), allowing surveys to measure redshifts for a large sample of galaxies out to z < 0.5 based on their absorption or emission (e.g., [O II], Mg II, Ne V) features. We use a detailed mock galaxy catalog from a semi-analytic model to simulate surveys observed with VIRUS, including: (1) Survey, a blind, HETDEX-like survey with an incomplete but uniform spectroscopic selection function; and (2) Targeted, a survey which targets clusters directly, obtaining spectra of all galaxies in a VIRUS-sized field. For both surveys, we include realistic uncertainties from galaxy magnitude and line-flux limits. We benchmark both surveys against spectroscopic observations with perfect" knowledge of galaxy line-of-sight velocities. With Survey observations, we can recover cluster masses to ˜ 0.1 dex which can be further improved to < 0.1 dex with Targeted observations. This level of cluster mass recovery provides important measurements of the intrinsic scatter in the optical richness-cluster mass relation, and enables constraints on the key cosmological parameter, sigma 8, to < 20%. As a demonstration of the methods developed previously, we present a pilot survey with integral field spectroscopy of ten galaxy clusters optically selected from the Sloan Digital Sky Survey's DR8 at z = 0.2 - 0.3. Eight of the clusters are rich (lambda > 60) systems with total inferred masses (1.58 -17.37) x1014 M (M 200c), and two are poor (lambda < 15) systems with inferred total masses ˜ 0.5 x 1014 M? (M200c ). We use the Mitchell Spectrograph, (formerly the VIRUS-P spectrograph, a prototype of the HETDEX VIRUS instrument) located on the McDonald Observatory 2.7m telescope, to measure spectroscopic redshifts and line-of-sight velocities of the galaxies in and around each cluster, determine cluster membership and derive LOSVDs. We test both a LOSVD-cluster mass scaling relation and a machine learning based approach to infer total cluster mass. After comparing the cluster mass estimates to the literature, we use these independent cluster mass measurements to estimate the absolute cluster mass scale, and intrinsic scatter in the optical richness-mass relationship. We measure the intrinsic scatter in richness at fixed cluster mass to be sigmaM/lambda = 0.27 +/- 0.07 dex in excellent agreement with previous estimates of sigmaM/lambda ˜ 0.2 - 0.3 dex. We discuss the importance of the data used to train the machine learning methods and suggest various strategies to import the accuracy of the bias (offset) and scatter in the optical richness-cluster mass relation. This demonstrates the power of blind spectroscopic surveys such as HETDEX to provide robust cluster mass estimates which can aid in the determination of cosmological parameters and help to calibrate the observable-mass relation for future photometric large area-sky surveys.

Performance of The Far Ultraviolet Spectroscopic Explorer Mirror Assemblies

NASA Technical Reports Server (NTRS)

Ohi, Raymond G.; Barkhouser, Robert H.; Conard, Steven J.; Friedman, Scott D.; Hampton, Jeffery; Moos, H. Warren; Nikulla, Paul; Oliveira, Cristina M.; Saha, Timo T.; Obenschain, Arthur (Technical Monitor)

2000-01-01

The Far Ultraviolet Spectroscopic Explorer is a NASA astrophysics satellite which produces high-resolution spectra in the far-ultraviolet (90.5-118.7 nm bandpass) using a high effective area and low background detectors. The observatory was launched on its three-year mission from Cape Canaveral Air Station on 24 June 1999. The instrument contains four coaligned, normal incidence, off-axis parabolic mirrors which illuminate separate Rowland circle spectrograph channels equipped with holographically ruled diffraction gratings and delay line microchannel plate detectors. The telescope mirrors have a 352 x 387 mm aperture and 2245 mm focal length and are attached to actuator assemblies, which provide on-orbit, tip, tilt, and focus control. Two mirrors are coated with silicon carbide (SiC) and two are coated with lithium fluoride over aluminum (Al:LiF). We describe mirror assembly in-flight optical and mechanical performance. On-orbit measurements of the far-ultraviolet point spread function associated with each mirror are compared to expectations based on pre-flight laboratory measurements and modeling using the Optical Surface Analysis Code and surface metrology data. On-orbit imaging data indicate that the mirrors meet their instrument-level requirement of 50 percent and 95 percent slit transmission for the high- and mid-resolution spectrograph entrance slits, respectively. The degradation of mirror reflectivity during satellite integration and test is also discussed. The far-ultraviolet reflectivity of the SiC- and AlLiF-coated mirrors decreased about six percent and three percent, respectively, between coating and launch. Each mirror is equipped with three actuators, which consist of a stepper motor driving a ball screw via a two-stage planetary gear train. We also discuss the mechanical performance of the mirror assemblies, including actuator performance and thermal effects.

Optical spectroscopic methods for probing the conformational stability of immobilised enzymes.

PubMed

Ganesan, Ashok; Moore, Barry D; Kelly, Sharon M; Price, Nicholas C; Rolinski, Olaf J; Birch, David J S; Dunkin, Ian R; Halling, Peter J

2009-07-13

We report the development of biophysical techniques based on circular dichroism (CD), diffuse reflectance infrared Fourier transform (DRIFT) and tryptophan (Trp) fluorescence to investigate in situ the structure of enzymes immobilised on solid particles. Their applicability is demonstrated using subtilisin Carlsberg (SC) immobilised on silica gel and Candida antartica lipase B immobilised on Lewatit VP.OC 1600 (Novozyme 435). SC shows nearly identical secondary structure in solution and in the immobilised state as evident from far UV CD spectra and amide I vibration bands. Increased near UV CD intensity and reduced Trp fluorescence suggest a more rigid tertiary structure on the silica surface. After immobilised SC is inactivated, these techniques reveal: a) almost complete loss of near UV CD signal, suggesting loss of tertiary structure; b) a shift in the amide I vibrational band from 1658 cm(-1) to 1632 cm(-1), indicating a shift from alpha-helical structure to beta-sheet; c) a substantial blue shift and reduced dichroism in the far UV CD, supporting a shift to beta-sheet structure; d) strong increase in Trp fluorescence intensity, which reflects reduced intramolecular quenching with loss of tertiary structure; and e) major change in fluorescence lifetime distribution, confirming a substantial change in Trp environment. DRIFT measurements suggest that pressing KBr discs may perturb protein structure. With the enzyme on organic polymer it was possible to obtain near UV CD spectra free of interference by the carrier material. However, far UV CD, DRIFT and fluorescence measurements showed strong signals from the organic support. In conclusion, the spectroscopic methods described here provide structural information hitherto inaccessible, with their applicability limited by interference from, rather than the particulate nature of, the support material.

Performance of the Far Ultraviolet Spectroscopic Explorer mirror assemblies

NASA Astrophysics Data System (ADS)

Ohl, Raymond G.; Barkhouser, Robert H.; Conard, Steven J.; Friedman, Scott D.; Hampton, Jeffrey; Moos, H. Warren; Nikulla, Paul; Oliveira, Cristina M.; Saha, Timo T.

2000-12-01

The Far Ultraviolet Spectroscopic Explorer is a NASA astrophysics satellite which produces high-resolution spectra in the far-ultraviolet (90.5 - 118.7 nm bandpass) using a high effective area and low background detectors. The observatory was launched on its three-year mission from Cape Canaveral Air Station on 24 June 1999. The instrument contains four co- aligned, normal incidence, off-axis parabolic mirrors which illuminate separate Rowland circle spectrograph channels equipped with holographically ruled diffraction gratings and delay line microchannel plate detectors. The telescope mirrors have a 352 X 387 mm aperture and 2245 mm focal length and are attached to actuator assemblies, which provide on-orbit, tip, tilt, and focus control. Two mirrors are coated with silicon carbide (SiC) and two are coated with lithium fluoride over aluminum (Al:LiF). We describe mirror assembly in-flight optical and mechanical performance. On-orbit measurements of the far-ultraviolet point spread function associated with each mirror are compared to expectations based on pre-flight laboratory measurements and modeling using the Optical Surface Analysis Code and surface metrology data. On-orbit imaging data indicate that the mirrors meet their instrument-level requirement of 50% and 95% slit transmission for the high- and mid-resolution spectrograph entrance slits, respectively. The degradation of mirror reflectivity during satellite integration and test is also discussed. The FUV reflectivity of the SiC- and Al:LiF-coated mirrors decreased about 6% and 3%, respectively, between coating and launch. Each mirror is equipped with three actuators, which consist of a stepper motor driving a ball screw via a two-stage planetary gear train. We also discuss the mechanical performance of the mirror assemblies, including actuator performance and thermal effects.

The Charge State of Polycyclic Aromatic Hydrocarbons Across Reflection Nebulae: PAH Charge Balance and Calibration

NASA Astrophysics Data System (ADS)

Boersma, C.; Bregman, J.; Allamandola, L. J.

2016-11-01

Low-resolution Spitzer spectral map data (>1700 spectra) of ten reflection nebulae (RNe) fields are analyzed using the data and tools available through the NASA Ames PAH IR Spectroscopic Database. The PAH emission is broken down into PAH charge state using a database fitting approach. Here, the physics of the PAH emission process is taken into account and uses target appropriate parameters, e.g., a stellar radiation model for the exciting star. The breakdown results are combined with results derived using the traditional PAH band strength approach, which interprets particular PAH band strength ratios as proxies for the PAH charge state, e.g., the 6.2/11.2 μm PAH band strength ratio. These are successfully calibrated against their database equivalent; the PAH ionized fraction (f I ). The PAH ionized fraction is converted into the PAH ionization parameter, which relates the PAH ionized fraction to the strength of the radiation field, gas temperature and electron density. The behavior of the 12.7 μm PAH band is evaluated as a tracer for PAH ionization and erosion. The plot of the 8.6 versus 11.2 μm PAH band strength for the northwest photo-dominated region (PDR) in NGC 7023 is shown to be a robust diagnostic template for the PAH ionized fraction. Remarkably, most of the other RNe fall within the limits set by NGC 7023. Finally, PAH spectroscopic templates are constructed and verified as principal components. Template spectra derived from NGC 7023 and NGC 2023 compare extremely well with each other, with those derived for NGC 7023 successfully reproducing the PAH emission observed from NGC 2023.

THE CHARGE STATE OF POLYCYCLIC AROMATIC HYDROCARBONS ACROSS REFLECTION NEBULAE: PAH CHARGE BALANCE AND CALIBRATION

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

Boersma, C.; Bregman, J.; Allamandola, L. J., E-mail: Christiaan.Boersma@nasa.gov

Low-resolution Spitzer spectral map data (>1700 spectra) of ten reflection nebulae (RNe) fields are analyzed using the data and tools available through the NASA Ames PAH IR Spectroscopic Database. The PAH emission is broken down into PAH charge state using a database fitting approach. Here, the physics of the PAH emission process is taken into account and uses target appropriate parameters, e.g., a stellar radiation model for the exciting star. The breakdown results are combined with results derived using the traditional PAH band strength approach, which interprets particular PAH band strength ratios as proxies for the PAH charge state, e.g.,more » the 6.2/11.2 μ m PAH band strength ratio. These are successfully calibrated against their database equivalent; the PAH ionized fraction ( f {sub i} ). The PAH ionized fraction is converted into the PAH ionization parameter, which relates the PAH ionized fraction to the strength of the radiation field, gas temperature and electron density. The behavior of the 12.7 μ m PAH band is evaluated as a tracer for PAH ionization and erosion. The plot of the 8.6 versus 11.2 μ m PAH band strength for the northwest photo-dominated region (PDR) in NGC 7023 is shown to be a robust diagnostic template for the PAH ionized fraction. Remarkably, most of the other RNe fall within the limits set by NGC 7023. Finally, PAH spectroscopic templates are constructed and verified as principal components. Template spectra derived from NGC 7023 and NGC 2023 compare extremely well with each other, with those derived for NGC 7023 successfully reproducing the PAH emission observed from NGC 2023.« less

The LAMOST Complete Spectroscopic Survey of Pointing Area (LaCoSSPAr) in the Southern Galactic Cap. I. The Spectroscopic Redshift Catalog

NASA Astrophysics Data System (ADS)

Yang, Ming; Wu, Hong; Yang, Fan; Lam, Man I.; Cao, Tian-Wen; Wu, Chao-Jian; Zhao, Pin-Song; Zhang, Tian-Meng; Zhou, Zhi-Min; Wu, Xue-Bing; Zhang, Yan-Xia; Shao, Zheng-Yi; Jing, Yi-Peng; Shen, Shi-Yin; Zhu, Yi-Nan; Du, Wei; Lei, Feng-Jie; He, Min; Jin, Jun-Jie; Shi, Jian-Rong; Zhang, Wei; Wang, Jian-Ling; Wu, Yu-Zhong; Zhang, Hao-Tong; Luo, A.-Li; Yuan, Hai-Long; Bai, Zhong-Rui; Kong, Xu; Gu, Qiu-Sheng; Zhou, Xu; Ma, Jun; Hu, Zou; Nie, Jun-Dan; Wang, Jia-Li; Zhang, Yong; Hou, Yong-Hui; Zhao, Yong-Heng

2018-01-01

We present a spectroscopic redshift catalog from the LAMOST Complete Spectroscopic Survey of Pointing Area (LaCoSSPAr) in the Southern Galactic Cap (SGC), which is designed to observe all sources (Galactic and extragalactic) by using repeating observations with a limiting magnitude of r=18.1 {mag} in two 20 {\\deg }2 fields. The project is mainly focusing on the completeness of LAMOST ExtraGAlactic Surveys (LEGAS) in the SGC, the deficiencies of source selection methods, and the basic performance parameters of the LAMOST telescope. In both fields, more than 95% of galaxies have been observed. A post-processing has been applied to the LAMOST 1D spectrum to remove the majority of remaining sky background residuals. More than 10,000 spectra have been visually inspected to measure the redshift by using combinations of different emission/absorption features with an uncertainty of {σ }z/(1+z)< 0.001. In total, 1528 redshifts (623 absorption and 905 emission line galaxies) in Field A and 1570 redshifts (569 absorption and 1001 emission line galaxies) in Field B have been measured. The results show that it is possible to derive redshift from low S/N galaxies with our post-processing and visual inspection. Our analysis also indicates that up to one-fourth of the input targets for a typical extragalactic spectroscopic survey might be unreliable. The multi-wavelength data analysis shows that the majority of mid-infrared-detected absorption (91.3%) and emission line galaxies (93.3%) can be well separated by an empirical criterion of W2-W3=2.4. Meanwhile, a fainter sequence paralleled to the main population of galaxies has been witnessed both in M r /W2-W3 and M */W2-W3 diagrams, which could be the population of luminous dwarf galaxies but contaminated by the edge-on/highly inclined galaxies (∼ 30 % ).

Real-time soil sensing based on fiber optics and spectroscopy

NASA Astrophysics Data System (ADS)

Li, Minzan

2005-08-01

Using NIR spectroscopic techniques, correlation analysis and regression analysis for soil parameter estimation was conducted with raw soil samples collected in a cornfield and a forage field. Soil parameters analyzed were soil moisture, soil organic matter, nitrate nitrogen, soil electrical conductivity and pH. Results showed that all soil parameters could be evaluated by NIR spectral reflectance. For soil moisture, a linear regression model was available at low moisture contents below 30 % db, while an exponential model can be used in a wide range of moisture content up to 100 % db. Nitrate nitrogen estimation required a multi-spectral exponential model and electrical conductivity could be evaluated by a single spectral regression. According to the result above mentioned, a real time soil sensor system based on fiber optics and spectroscopy was developed. The sensor system was composed of a soil subsoiler with four optical fiber probes, a spectrometer, and a control unit. Two optical fiber probes were used for illumination and the other two optical fiber probes for collecting soil reflectance from visible to NIR wavebands at depths around 30 cm. The spectrometer was used to obtain the spectra of reflected lights. The control unit consisted of a data logging device, a personal computer, and a pulse generator. The experiment showed that clear photo-spectral reflectance was obtained from the underground soil. The soil reflectance was equal to that obtained by the desktop spectrophotometer in laboratory tests. Using the spectral reflectance, the soil parameters, such as soil moisture, pH, EC and SOM, were evaluated.

Velocity segregation and systematic biases in velocity dispersion estimates with the SPT-GMOS spectroscopic survey

DOE PAGES

Bayliss, Matthew. B.; Zengo, Kyle; Ruel, Jonathan; ...

2017-03-07

The velocity distribution of galaxies in clusters is not universal; rather, galaxies are segregated according to their spectral type and relative luminosity. We examine the velocity distributions of different populations of galaxies within 89 Sunyaev Zel'dovich (SZ) selected galaxy clusters spanningmore » $ 0.28 < z < 1.08$. Our sample is primarily draw from the SPT-GMOS spectroscopic survey, supplemented by additional published spectroscopy, resulting in a final spectroscopic sample of 4148 galaxy spectra---2868 cluster members. The velocity dispersion of star-forming cluster galaxies is $$17\\pm4$$% greater than that of passive cluster galaxies, and the velocity dispersion of bright ($$m < m^{*}-0.5$$) cluster galaxies is $$11\\pm4$$% lower than the velocity dispersion of our total member population. We find good agreement with simulations regarding the shape of the relationship between the measured velocity dispersion and the fraction of passive vs. star-forming galaxies used to measure it, but we find a small offset between this relationship as measured in data and simulations in which suggests that our dispersions are systematically low by as much as 3\\% relative to simulations. We argue that this offset could be interpreted as a measurement of the effective velocity bias that describes the ratio of our observed velocity dispersions and the intrinsic velocity dispersion of dark matter particles in a published simulation result. Here, by measuring velocity bias in this way suggests that large spectroscopic surveys can improve dispersion-based mass-observable scaling relations for cosmology even in the face of velocity biases, by quantifying and ultimately calibrating them out.« less

Velocity segregation and systematic biases in velocity dispersion estimates with the SPT-GMOS spectroscopic survey

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

Bayliss, Matthew. B.; Zengo, Kyle; Ruel, Jonathan

The velocity distribution of galaxies in clusters is not universal; rather, galaxies are segregated according to their spectral type and relative luminosity. We examine the velocity distributions of different populations of galaxies within 89 Sunyaev Zel'dovich (SZ) selected galaxy clusters spanningmore » $ 0.28 < z < 1.08$. Our sample is primarily draw from the SPT-GMOS spectroscopic survey, supplemented by additional published spectroscopy, resulting in a final spectroscopic sample of 4148 galaxy spectra---2868 cluster members. The velocity dispersion of star-forming cluster galaxies is $$17\\pm4$$% greater than that of passive cluster galaxies, and the velocity dispersion of bright ($$m < m^{*}-0.5$$) cluster galaxies is $$11\\pm4$$% lower than the velocity dispersion of our total member population. We find good agreement with simulations regarding the shape of the relationship between the measured velocity dispersion and the fraction of passive vs. star-forming galaxies used to measure it, but we find a small offset between this relationship as measured in data and simulations in which suggests that our dispersions are systematically low by as much as 3\\% relative to simulations. We argue that this offset could be interpreted as a measurement of the effective velocity bias that describes the ratio of our observed velocity dispersions and the intrinsic velocity dispersion of dark matter particles in a published simulation result. Here, by measuring velocity bias in this way suggests that large spectroscopic surveys can improve dispersion-based mass-observable scaling relations for cosmology even in the face of velocity biases, by quantifying and ultimately calibrating them out.« less

Velocity Segregation and Systematic Biases In Velocity Dispersion Estimates with the SPT-GMOS Spectroscopic Survey

NASA Astrophysics Data System (ADS)

Bayliss, Matthew. B.; Zengo, Kyle; Ruel, Jonathan; Benson, Bradford A.; Bleem, Lindsey E.; Bocquet, Sebastian; Bulbul, Esra; Brodwin, Mark; Capasso, Raffaella; Chiu, I.-non; McDonald, Michael; Rapetti, David; Saro, Alex; Stalder, Brian; Stark, Antony A.; Strazzullo, Veronica; Stubbs, Christopher W.; Zenteno, Alfredo

2017-03-01

The velocity distribution of galaxies in clusters is not universal; rather, galaxies are segregated according to their spectral type and relative luminosity. We examine the velocity distributions of different populations of galaxies within 89 Sunyaev Zel’dovich (SZ) selected galaxy clusters spanning 0.28< z< 1.08. Our sample is primarily draw from the SPT-GMOS spectroscopic survey, supplemented by additional published spectroscopy, resulting in a final spectroscopic sample of 4148 galaxy spectra—2868 cluster members. The velocity dispersion of star-forming cluster galaxies is 17 ± 4% greater than that of passive cluster galaxies, and the velocity dispersion of bright (m< {m}* -0.5) cluster galaxies is 11 ± 4% lower than the velocity dispersion of our total member population. We find good agreement with simulations regarding the shape of the relationship between the measured velocity dispersion and the fraction of passive versus star-forming galaxies used to measure it, but we find a small offset between this relationship as measured in data and simulations, which suggests that our dispersions are systematically low by as much as 3% relative to simulations. We argue that this offset could be interpreted as a measurement of the effective velocity bias that describes the ratio of our observed velocity dispersions and the intrinsic velocity dispersion of dark matter particles in a published simulation result. Measuring velocity bias in this way suggests that large spectroscopic surveys can improve dispersion-based mass-observable scaling relations for cosmology even in the face of velocity biases, by quantifying and ultimately calibrating them out.

Spectral features of biogenic calcium carbonates and implications for astrobiology

NASA Astrophysics Data System (ADS)

Berg, B. L.; Ronholm, J.; Applin, D. M.; Mann, P.; Izawa, M.; Cloutis, E. A.; Whyte, L. G.

2014-09-01

The ability to discriminate biogenic from abiogenic calcium carbonate (CaCO3) would be useful in the search for extant or extinct life, since CaCO3 can be produced by both biotic and abiotic processes on Earth. Bioprecipitated CaCO3 material was produced during the growth of heterotrophic microbial isolates on medium enriched with calcium acetate or calcium citrate. These biologically produced CaCO3, along with natural and synthetic non-biologically produced CaCO3 samples, were analysed by reflectance spectroscopy (0.35-2.5 μm), Raman spectroscopy (532 and 785 nm), and laser-induced fluorescence spectroscopy (365 and 405 nm excitation). Optimal instruments for the discrimination of biogenic from abiogenic CaCO3 were determined to be reflectance spectroscopy, and laser-induced fluorescence spectroscopy. Multiple absorption features in the visible light region occurred in reflectance spectra for most biogenic CaCO3 samples, which are likely due to organic pigments. Multiple fluorescence peaks occurred in emission spectra (405 nm excitation) of biogenic CaCO3 samples, which also are best attributed to the presence of organic compounds; however, further analyses must be performed in order to better determine the cause of these features to establish criteria for confirming the origin of a given CaCO3 sample. Raman spectroscopy was not useful for discrimination since any potential Raman peaks in spectra of biogenic carbonates collected by both the 532 and 785 nm lasers were overwhelmed by fluorescence. However, this also suggests that biogenic carbonates may be identified by the presence of this organic-associated fluorescence. No reliable spectroscopic differences in terms of parameters such as positions or widths of carbonate-associated absorption bands were found between the biogenic and abiogenic carbonate samples. These results indicate that the presence or absence of organic matter intimately associated with carbonate minerals is the only potentially useful spectral discriminator for the techniques that were examined, and that multiple spectroscopic techniques are capable of detecting the presence of associated organic materials. However, the presence or absence of intimately associated organic matter is not, in itself, an indicator of biogenicity.

Novel method in solving non-polarizing condition in frustrated total internal reflection layers

NASA Astrophysics Data System (ADS)

Shi, Jin Hui; Wang, Zheng Ping

2008-03-01

When used at oblique angles of incidence, the reflectance and transmittance of thin films exhibit strong polarization effects, particularly for the films inside a glass cube. However, the polarization effects are undesirable in many applications. Novel non-polarizing beam splitter designs are shown, non-polarizing beam splitters with unique optical thin films are achieved through combination of interference and frustrated total internal reflection, the non-polarizing condition expressions based on frustrated total internal reflection is derived, and applied examples of the non-polarizing beam splitters are also presented with the optimization technique and the results of Rp=(50+/-0.4)% and Rs=(50+/-0.4)% in the wavelength range of 500-600nm are obtained.

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.

Frustrated total internal reflection acoustic field sensor

DOEpatents

Kallman, Jeffrey S.

2000-01-01

A frustrated total internal reflection acoustic field sensor which allows the acquisition of the acoustic field over an entire plane, all at once. The sensor finds use in acoustic holography and acoustic diffraction tomography. For example, the sensor may be produced by a transparent plate with transparent support members tall enough to support one or more flexible membranes at an appropriate height for frustrated total internal reflection to occur. An acoustic wave causes the membrane to deflect away from its quiescent position and thus changes the amount of light that tunnels through the gap formed by the support members and into the membrane, and so changes the amount of light reflected by the membrane. The sensor(s) is illuminated by a uniform tight field, and the reflection from the sensor yields acoustic wave amplitude and phase information which can be picked up electronically or otherwise.

Etch depth mapping of phase binary computer-generated holograms by means of specular spectroscopic scatterometry

NASA Astrophysics Data System (ADS)

Korolkov, Victor P.; Konchenko, Alexander S.; Cherkashin, Vadim V.; Mironnikov, Nikolay G.; Poleshchuk, Alexander G.

2013-09-01

Detailed analysis of etch depth map for phase binary computer-generated holograms intended for testing aspheric optics is a very important task. In particular, diffractive Fizeau null lenses need to be carefully tested for uniformity of etch depth. We offer a simplified version of the specular spectroscopic scatterometry method. It is based on the spectral properties of binary phase multi-order gratings. An intensity of zero order is a periodical function of illumination light wave number. The grating grooves depth can be calculated as it is inversely proportional to the period. Measurement in reflection allows one to increase the phase depth of the grooves by a factor of 2 and measure more precisely shallow phase gratings. Measurement uncertainty is mainly defined by the following parameters: shifts of the spectrum maximums that occur due to the tilted grooves sidewalls, uncertainty of light incidence angle measurement, and spectrophotometer wavelength error. It is theoretically and experimentally shown that the method we describe can ensure 1% error. However, fiber spectrometers are more convenient for scanning measurements of large area computer-generated holograms. Our experimental system for characterization of binary computer-generated holograms was developed using a fiber spectrometer.

EUV observation from the Earth-orbiting satellite, EXCEED

NASA Astrophysics Data System (ADS)

Yoshioka, K.; Murakami, G.; Yoshikawa, I.; Ueno, M.; Uemizu, K.; Yamazaki, A.

2010-01-01

An Earth-orbiting small satellite “EXtreme ultraviolet spectrosCope for ExosphEric Dynamics” (EXCEED) which will be launched in 2012 is under development. The mission will carry out spectroscopic and imaging observation of EUV (Extreme Ultraviolet: 60-145 nm) emissions from tenuous plasmas around the planets (Venus, Mars, Mercury, and Jupiter). It is essential for EUV observation to put on an observing site outside the Earth’s atmosphere to avoid the absorption. It is also essential that the detection efficiency must be very high in order to catch the faint signals from those targets. In this mission, we employ cesium iodide coated microchannel plate as a 2 dimensional photon counting devise which shows 1.5-50 times higher quantum detection efficiency comparing with the bared one. We coat the surface of the grating and entrance mirror with silicon carbides by the chemical vapor deposition method in order to archive the high diffraction efficiency and reflectivity. The whole spectrometer is shielded by the 2 mm thick stainless steel to prevent the contamination caused by the high energy electrons from the inner radiation belt. In this paper, we will introduce the mission overview, its instrument, and their performance.

Reconstruction of explicit structural properties at the nanoscale via spectroscopic microscopy

NASA Astrophysics Data System (ADS)

Cherkezyan, Lusik; Zhang, Di; Subramanian, Hariharan; Taflove, Allen; Backman, Vadim

2016-02-01

The spectrum registered by a reflected-light bright-field spectroscopic microscope (SM) can quantify the microscopically indiscernible, deeply subdiffractional length scales within samples such as biological cells and tissues. Nevertheless, quantification of biological specimens via any optical measures most often reveals ambiguous information about the specific structural properties within the studied samples. Thus, optical quantification remains nonintuitive to users from the diverse fields of technique application. In this work, we demonstrate that the SM signal can be analyzed to reconstruct explicit physical measures of internal structure within label-free, weakly scattering samples: characteristic length scale and the amplitude of spatial refractive-index (RI) fluctuations. We present and validate the reconstruction algorithm via finite-difference time-domain solutions of Maxwell's equations on an example of exponential spatial correlation of RI. We apply the validated algorithm to experimentally measure structural properties within isolated cells from two genetic variants of HT29 colon cancer cell line as well as within a prostate tissue biopsy section. The presented methodology can lead to the development of novel biophotonics techniques that create two-dimensional maps of explicit structural properties within biomaterials: the characteristic size of macromolecular complexes and the variance of local mass density.

Exploring diazepam’s effect on hemodynamic responses of mouse brain tissue by optical spectroscopic imaging

PubMed Central

Abookasis, David; Shochat, Ariel; Nesher, Elimelech; Pinhasov, Albert

2014-01-01

In this study, a simple duel-optical spectroscopic imaging apparatus capable of simultaneously determining relative changes in brain oxy-and deoxy-hemoglobin concentrations was used following administration of the anxiolytic compound diazepam in mice with strong dominant (Dom) and submissive (Sub) behavioral traits. Three month old mice (n = 30) were anesthetized and after 10 min of baseline imaging, diazepam (1.5 mg/kg) was administered and measurements were taken for 80 min. The mouse head was illuminated by white light based LED's and diffused reflected light passing through different channels, consisting of a bandpass filter and a CCD camera, respectively, was collected and analyzed to measure the hemodynamic response. This work’s major findings are threefold: first, Dom and Sub animals showed statistically significant differences in hemodynamic response to diazepam administration. Secondly, diazepam was found to more strongly affect the Sub group. Thirdly, different time-series profiles were observed post-injection, which can serve as a possible marker for the groups’ differentiation. To the best of our knowledge, this is the first report on the effects of an anxiolytic drug on brain hemodynamic responses in mice using diffused light optical imaging. PMID:25071958

Indium-chlorine and gallium-chlorine tetrasubstituted phthalocyanines in a bulk system, Langmuir monolayers and Langmuir-Blodgett nanolayers--spectroscopic investigations.

PubMed

Bursa, B; Wróbel, D; Biadasz, A; Kędzierski, K; Lewandowska, K; Graja, A; Szybowicz, M; Durmuş, M

2014-07-15

The paper deals with spectroscopic characterization of metallic phthalocyanines (Pc's) (indium and gallium) complexed with chlorine and substituted with four benzyloxyphenoxy peripheral groups in bulk systems, 2D Langmuir monolayers and Langmuir-Blodgett nanolayers. An influence of the molecular structure of dyes (the presence of metal and of substitutes attached to the phthalocyanine macroring) on the in situ measurements of light absorption is reported. Molecular arrangement of the phthalocyanine molecular skeleton in the Langmuir monolayers on water substrate and in the Langmuir-Blodgett nanolayers is evaluated. A comparison of the light absorption spectra of the phthalocyanine monolayers with the spectra of the dyes in solution supports the existence of dye aggregates in the monolayer. It was shown that the type of dye aggregates (oblique and H types) depends markedly on the dye molecular structures. The NIR-IR, IR reflection-absorption and Raman spectra are also monitored for Langmuir-Blodgett nanolayers in non-polarized and polarized light. It was shown that the dye molecules in the Langmuir-Blodgett layers are oriented nearly vertically with respect to a gold substrate. Copyright © 2014 Elsevier B.V. All rights reserved.

Distinguishing Polymorphs of the Semiconducting Pigment Copper Phthalocyanine by Solid-state NMR and Raman Spectroscopy

PubMed Central

Shaibat, Medhat A.; Casabianca, Leah B.; Siberio-Pérez, Diana Y.; Matzger, Adam J; Ishii, Yoshitaka

2010-01-01

Cu(II)(phthalocyanine) (CuPc) is broadly utilized as an archetypal molecular semiconductor and is the most widely used blue printing pigment. CuPc crystallizes in six different forms; the chemical and physical properties are substantially modulated by its molecular packing among these polymorphs. Despite the growing importance of this system, spectroscopic identification of different polymorphs for CuPc has posed difficulties. This study presents the first example of spectroscopic distinction of α- and β-forms of CuPc, the most widely used polymorphs, by solid-state NMR (SSNMR) and Raman spectroscopy. 13C high-resolution SSNMR spectra of α- and β-CuPc using very-fast magic angle spinning (VFMAS) at 20 kHz show that hyperfine shifts sensitively reflect polymorphs of CuPc. The experimental results were confirmed by ab initio chemical shift calculations. 13C and 1H SSNMR relaxation times of α- and β-CuPc under VFMAS also showed marked differences, presumably because of the difference in electronic spin correlation times in the two forms. Raman spectroscopy also provided another reliable method of differentiation between the two polymorphs. PMID:20225842

Energy band gap and spectroscopic studies in Mn{sub 1-x}Cu{sub x}WO{sub 4} (0 ≤ x ≤ 0.125)

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

Mal, Priyanath; Rambabu, P.; Turpu, G. R.

2016-05-06

A study on the effect of nonmagnetic Cu{sup 2+} substitution at Mn{sup 2+} site on the structural and energy band gap of the MnWO{sub 4} is reported. Convenient solid state reaction route has been adopted for the synthesis of Mn{sub 1-x}Cu{sub x}WO{sub 4}. X-ray diffraction (XRD) pattern showed high crystalline quality of the prepared samples. Raman spectroscopic studies were carried out to understand the structural aspects of the doping. 15 Raman active modes were identified out of 18, predicted for wolframite type monoclinic structure of MnWO{sub 4}. UV-visible diffuse reflectance spectra were recorded and analyzed to get energy band gapmore » of the studied system and are found in the range of 2.5 eV to 2.04 eV with a systematic decrease with the increase in Cu{sup 2+} concentration. Energy band gap values are verified by Density Functional Theory calculations based on projector augmented wave (PAW) method. The calculated values are in good agreement with the experimental data.« less

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

Utschig, L. M.; Dalosto, S. D.; Thurnauer, M. C.

Metal ion binding to a surface site on photosynthetic reaction centers (RCs) modulates light-induced electron and proton transfer events in the RC. Whereas many studies have elucidated aspects of metal ion modulation events in Rhodobacter sphaeroides RCs, much less is understood about the surface site in Blastochloris viridis (Blc. viridis) RCs. Interestingly, electron paramagnetic resonance studies revealed two spectroscopically distinct Cu{sup 2+} surface site environments in Blc. viridis RCs. Herein, Cu{sup 2+} has been used to spectroscopically probe the structure of these Cu{sup 2+} site(s) in response to freezing conditions, temperature, and charge separation. One Cu{sup 2+} environment in Blc.more » viridis RCs, termed CuA, exhibits temperature-dependent conformational flexibility. Different conformation states of the CuA{sup 2+} site are trapped when the RC is frozen in the dark either by fast-freeze or slow-freeze procedure. The second Cu{sup 2+} environment, termed CuB, is structurally invariant to different freezing conditions and shows resolved hyperfine coupling to three nitrogen atoms. Cu{sup 2+} is most likely binding at the same location on the RC, but in different coordination environments which may reflect two distinct conformational states of the isolated Blc. viridis RC protein.« less

Infrared spectroscopic ellipsometry in semiconductor manufacturing

NASA Astrophysics Data System (ADS)

Guittet, Pierre-Yves; Mantz, Ulrich; Weidner, Peter; Stehle, Jean-Louis; Bucchia, Marc; Bourtault, Sophie; Zahorski, Dorian

2004-05-01

Infrared spectroscopic ellipsometry (IRSE) metrology is an emerging technology in semiconductor production environment. Infineon Technologies SC300 implemented the first worldwide automated IRSE in a class 1 clean room in 2002. Combining properties of IR light -- large wavelength, low absorption in silicon -- with a short focus optics -- no backside reflection -- which allow model-based analysis, a large number of production applications were developed. Part of Infineon IRSE development roadmap is now focused on depth monitoring for arrays of 3D dry-etched structures. In trench DRAM manufacturing, the areal density is high, and critical dimensions are much lower than mid-IR wavelength. Therefore, extensive use of effective medium theory is made to model 3D structures. IR-SE metrology is not limited by shrinking critical dimensions, as long as the areal density is above a specific cut-off value determined by trenches dimensions, trench-filling and surrounding materials. Two applications for depth monitoring are presented. 1D models were developed and successfully applied to the DRAM trench capacitor structures. Modeling and correlation to reference methods are shown as well as dynamic repeatability and gauge capability results. Limitations of the current tool configuration are reviewed for shallow structures.

The Binary Dwarf Carbon Star SDSS J125017.90+252427.6

NASA Astrophysics Data System (ADS)

Margon, Bruce; Kupfer, Thomas; Burdge, Kevin; Prince, Thomas A.; Kulkarni, Shrinivas R.; Shupe, David L.

2018-03-01

Although dwarf carbon (dC) stars are universally thought to be binaries in order to explain the presence of C 2 in their spectra while still near main-sequence luminosity, direct observational evidence for their binarity is remarkably scarce. Here, we report the detection of a 2.92 day periodicity in both the photometry and radial velocity of SDSS J125017.90+252427.6, an r = 16.4 dC star. This is the first photometric binary dC, and only the second dC spectroscopic binary. The relative phase of the photometric period to the spectroscopic observations suggests that the photometric variations are a reflection effect due to heating from an unseen companion. The observed radial velocity amplitude of the dC component (K = 98.8 ± 10.7 km s‑1) is consistent with a white dwarf companion, presumably the evolved star that earlier donated the carbon to the dC, although substantial orbital evolution must have occurred. Large synoptic photometric surveys such as the Palomar Transient Factory, which was used for this work, may prove useful for identifying binaries among the shorter-period dC stars.

Near infrared spectra of muscovite, Tschermak substitution, and metamorphic reaction progress: Implications for remote sensing

NASA Astrophysics Data System (ADS)

Duke, Edward F.

1994-07-01

Near infrared (NIR) spectra of Precambrian metagraywacke in the Black Hills, South Dakota, demonstrate that reflectance spectroscopy can be used to monitor progressive changes in mineral chemistry as a function of metamorphic grade. The wavelength of a combination Al-O-H absorption band in muscovite, measured using both laboratory and field-portable NIR spectrometers, shifts from 2217 nm in the biotite zone to 2199 nm in the sillimanite + K-feldspar zone. The band shift corresponds to an increase in the Alvi content of muscovite, determined by electron microprobe, and is thus a monitor of Al2Si-1(Fe,Mg)-1 (Tschermak) exchange. Spectroscopic measurements such as these are useful in the case of aluminum-deficient rocks, which lack metamorphic index minerals or appropriate assemblages for thermobarometric studies, and in low-grade rocks (subgarnet zone), which lack quantitative indicators of metamorphic grade and are too fine grained for petrographic or microprobe studies. More important, spectroscopic detection of mineral-chemical variations in metamorphic rocks provides petrologists with a tool to recover information on metamorphic reaction histories from high-spectral-resolution aircraft or satellite remote sensing data.

Mass Profile Decomposition of the Frontier Fields Cluster MACS J0416-2403: Insights on the Dark-matter Inner Profile

NASA Astrophysics Data System (ADS)

Annunziatella, M.; Bonamigo, M.; Grillo, C.; Mercurio, A.; Rosati, P.; Caminha, G.; Biviano, A.; Girardi, M.; Gobat, R.; Lombardi, M.; Munari, E.

2017-12-01

We present a high-resolution dissection of the two-dimensional total mass distribution in the core of the Hubble Frontier Fields galaxy cluster MACS J0416.1‑2403, at z = 0.396. We exploit HST/WFC3 near-IR (F160W) imaging, VLT/Multi Unit Spectroscopic Explorer spectroscopy, and Chandra data to separate the stellar, hot gas, and dark-matter mass components in the inner 300 kpc of the cluster. We combine the recent results of our refined strong lensing analysis, which includes the contribution of the intracluster gas, with the modeling of the surface brightness and stellar mass distributions of 193 cluster members, of which 144 are spectroscopically confirmed. We find that, moving from 10 to 300 kpc from the cluster center, the stellar to total mass fraction decreases from 12% to 1% and the hot gas to total mass fraction increases from 3% to 9%, resulting in a baryon fraction of approximatively 10% at the outermost radius. We measure that the stellar component represents ∼30%, near the cluster center, and 15%, at larger clustercentric distances, of the total mass in the cluster substructures. We subtract the baryonic mass component from the total mass distribution and conclude that within 30 kpc (∼3 times the effective radius of the brightest cluster galaxy) from the cluster center the surface mass density profile of the total mass and global (cluster plus substructures) dark-matter are steeper and that of the diffuse (cluster) dark-matter is shallower than an NFW profile. Our current analysis does not point to a significant offset between the cluster stellar and dark-matter components. This detailed and robust reconstruction of the inner dark-matter distribution in a larger sample of galaxy clusters will set a new benchmark for different structure formation scenarios.

Dust composition and mass-loss return from the luminous blue variable R71 in the LMC

NASA Astrophysics Data System (ADS)

Guha Niyogi, S.; Min, M.; Meixner, M.; Waters, L. B. F. M.; Seale, J.; Tielens, A. G. G. M.

2014-09-01

Context. We present an analysis of mid- and far-infrared (IR) spectrum and spectral energy distribution (SED) of the luminous blue variable (LBV) R71 in the Large Magellanic Cloud (LMC). Aims: This work aims to understand the overall contribution of high-mass LBVs to the total dust-mass budget of the interstellar medium (ISM) of the LMC and compare this with the contribution from low-mass asymptotic giant branch (AGB) stars. As a case study, we analyze the SED of R71. Methods: We compiled all the available photometric and spectroscopic observational fluxes from various telescopes for a wide wavelength range (0.36-250 μm). We determined the dust composition from the spectroscopic data, and derived the ejected dust mass, dust mass-loss rate, and other dust shell properties by modeling the SED of R71. We noted nine spectral features in the dust shell of R71 by analyzing Spitzer Space Telescope spectroscopic data. Among these, we identified three new crystalline silicate features. We computed our model spectrum by using 3D radiative transfer code MCMax. Results: Our model calculation shows that dust is dominated by amorphous silicates, with some crystalline silicates, metallic iron, and a very tiny amount of polycyclic aromatic hydrocarbon (PAH) molecules. The presence of both silicates and PAHs indicates that the dust has a mixed chemistry. We derived a dust mass of 0.01 M⊙, from which we arrive at a total ejected mass of ≈5 M⊙. This implies a time-averaged dust mass-loss rate of 2.5 × 10-6 M⊙ yr-1 with an explosion about 4000 years ago. We assume that the other five confirmed dusty LBVs in the LMC loose mass at a similar rate, and estimate the total contribution to the mass budget of the LMC to be ≈10-5 M⊙ yr-1, which is comparable to the contribution by all the AGB stars in the LMC. Conclusions: Based on our analysis on R71, we speculate that LBVs as a class may be an important dust source in the ISM of the LMC.

Astrobiology: exploring the origins, evolution, and distribution of life in the Universe.

PubMed

Des Marais, D J; Walter, M R

1999-01-01

The search for the origins of life and its presence beyond Earth is strengthened by new technology and by evidence that life tolerates extreme conditions and that planets are widespread. Astrobiologists learn how planets develop and maintain habitable conditions. They combine biological and information sciences to decipher the origins of life. They examine how biota, particularly microorganisms, evolve, at scales from the molecular to the biosphere level, including interactions with long-term planetary changes. Astrobiologists learn how to recognize the morphological, chemical, and spectroscopic signatures of life in order to explore both extraterrestrial samples and electromagnetic spectra reflected from extrasolar planets.

Portable flash lamp reflectance analyzer system and method

NASA Technical Reports Server (NTRS)

Kalshoven, James Edward (Inventor)

1999-01-01

The system and method allow spectroscopic analysis of vegetation or the like without effects from changing sun and cloud conditions, undesired portions of the area of interest or atmospheric disturbances. The system (1) includes a light source (5) such as a xenon flash lamp, a telescope (7), a spectrometer (9), an analog/digital converter (11), a memory (13), a display (15), and an on-board microprocessor (17) or a port (19) for attachment to a laptop computer. The system is taken to an area of interest in the woods (step 41), the vegetation is illuminated from below (step 43) and data are taken (step 45).

Microscopic video observation of capillary vessel systems using diffuse back lighting

NASA Astrophysics Data System (ADS)

Sakai, Minako; Arai, Hiroki; Iwai, Toshiaki

2017-04-01

We have been developing a simple and practical video microscopy system based on absorption spectra of biological substance to perform spectroscopic observation of living tissues. The diffuse backlighting effect is actively used in the developed system, which is generated by multiple light scattering in the tissue. It is demonstrated that the light specularly reflected from the skin surface can be completely suppressed in the microscopic observation and the biological activity of the capillary vessel systems distributed under the skin can be successfully observed. As a result, we can confirm the effectiveness of the video microscopy system using diffuse backlighting and the applicability of our developed system.

Oxygen-17 and molybdenum-95 coupling in spectroscopic models of molybdoenzymes

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

Wilson, G.L.; Kony, M.; Tiekink, E.R.

1988-09-28

Assignment of (Mo/sup V/OS) and cis-(Mo/sup V/O(SH)) centers in active xanthine oxidase (very rapid and rapid ESR signals) are supported by generation of these species in solution. The ESR parameters were measured using /sup 17/O and /sup 95/Mo and are reported herein. The data revealed variations in relative magnitudes of the hyperfine components, and the different patterns of angles reflect significant differences in electronic structure. The same electronic differences appear to be responsible for the variations in magnitude and anisotropy of the /sup 17/O coupling, assigned to bound product Mo-/sup 17/OR in both enzyme signals.