An EXAFS study on the so-called {open_quotes}Co-Mo-S{close_quotes} phase in Co/C and CoMo/C, compared with a Moessbauer emission spectroscopy study

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

Craje, M.W.J.; Kraan, A.M. van der; Louwers, S.P.A.

1992-06-25

EXAFS was used in this paper to study 4 sulfided catalysts that have the same structure as their {sup 57}Co counterparts characterized by Mossbauer emission spectroscopy. The {open_quotes}Co-Mo-S{close_quotes} phase in Co/C is similar to CoMo/C due to a very highly dispersed Co species. Without Mo, the sulfidic Co results in a Co{sub 9}S{sub 8} phase during sulfidation at 673K, Mo prevents Co sintering in CoMo/C. 37 refs., 6 figs., 2 tabs.

Moessbauer spectroscopy analysis of {sup 57}Fe-doped YBaCo{sub 4}O{sub 7+{delta}}: Effects of oxygen intercalation

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

Tsipis, E.V.; Department of Ceramics and Glass Engineering, CICECO, University of Aveiro, 3810-193 Aveiro; Waerenborgh, J.C.

2009-03-15

Moessbauer spectroscopy of layered YBaCo{sub 3.96}Fe{sub 0.04}O{sub 7+{delta}} ({delta}=0.02 and 0.80), where 1% cobalt is substituted with {sup 57}Fe isotope, revealed no evidence of charge ordering at 4-293 K. The predominant state of iron cations was found trivalent, irrespective of their coordination and oxygen stoichiometry variations determined by thermogravimetric analysis. The extremely slow kinetics of isothermal oxidation at 598 K in air, and the changes of Fe{sup 3+} fractions in the alternating triangular and Kagome layers in oxidized YBaCo{sub 3.96}Fe{sub 0.04}O{sub 7.80}, may suggest that oxygen intercalation is accompanied with a substantial structural reconstruction stagnated due to sluggish cation diffusion.more » Decreasing temperature below 75-80 K leads to gradual freezing of the iron magnetic moments in inverse correlation with the content of extra oxygen. The formation of metal-oxygen octahedra and resultant structural distortions extend the temperature range where the paramagnetic and frozen states co-exist, down to 45-50 K. - Graphical abstract: Moessbauer spectroscopy of layered YBaCo{sub 3.96}Fe{sub 0.04}O{sub 7+{delta}} ({delta}=0.02 and 0.80), with 1% {sup 57}Fe isotope substituted for cobalt, revealed no evidence of charge ordering at 4-293 K. The predominant state of iron cations was found trivalent, irrespective of their coordination and oxygen stoichiometry variations determined by thermogravimetric analysis. Decreasing temperature below 75-80 K leads to gradual freezing of the iron magnetic moments in inverse correlation with the content of extra oxygen extending the temperature range where the paramagnetic and frozen states co-exist down to 45-50 K.« less

Development of the Fast Scintillation Detector with Programmable High Voltage Adjustment Suitable for Moessbauer Spectroscopy

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

Prochazka, R.; Frydrych, J.; Pechousek, J.

2010-07-13

This work is focused on a development of a compact fast scintillation detector suitable for Moessbauer spectroscopy (low energy X-ray/{gamma}-ray detection) where high counting rates are inevitable. Optimization of this part was necessary for a reliable function, better time resolution and to avoid a detector pulses pile-up effect. The pile-up effect decreases the measurement performance, significantly depends on the source activity and also on the pulse duration. Our new detection unit includes a fast scintillation crystal YAP:Ce, an R6095 photomultiplier tube, a high voltage power supply socket C9028-01 assembly, an AD5252 digital potentiometer with an I2C interface and an AD8000more » ultra fast operation preamplifier. The main advantages of this solution lie in a short pulse duration (less than 200 ns), stable operation for high activities, programmable gain of the high voltage supply and compact design in the aluminum housing.« less

The Influence of Abrasion on Martian Dust Grains: Evidence from a Study of Antigorite Grains

NASA Technical Reports Server (NTRS)

Bishop, Janice L.; Drief, Ahmed; Dyar, M. Darby

2003-01-01

Grinding was shown to greatly affect the structure and a number of properties of antigorite grains in a study by Drief and Nieto. Grinding is likely to influence the structure of most clay mineral grains and has been shown recently to influence the structure of kaolinite. The antigorite structure includes curved waves of layered silicate as shown by D dony et al.. Our study was performed in order to characterize in detail changes in the mineral grains resulting from grinding and to assess the influence of physical processes on clay minerals on the surface of Mars. This project includes a combination of SEM, reflectance spectroscopy and Moessbauer spectroscopy.

Moessbauer effect: Study of disordered magnetic systems

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

Chang, Xiao Sha.

1989-01-01

This dissertation describes Moessbauer spectroscopy studies of two chemically disordered binary, crystalline alloys having the composition A{sub 1-x}B{sub x}. Both systems are random 3d Heisenberg ferromagnets. In each case both A and B atoms carry a magnetic moment. The first study concerns a Moessbauer absorber experiment on Fe{sub 1-x} V{sub x}, in which the disorder in the critical region is of the annealed random exchange type. To eliminate the effect of concentration inhomogeneity, the measurement of the critical exponent {beta} was done on the alloy with x = 0.125, where dT{sub C}/dx = 0, yielding {beta} = 0.362(8) over themore » reduced temperature range 1.4 {times} 10{sup {minus}3} < t < 4.88 {times} 10{sup {minus}1}. This result confirms the theoretical prediction that the annealed disorder is irrelevant to critical behavior in this case. As expected the critical exponent {beta} is consistent with the expectation for the 3d Heisenberg model as well as the measured exponent of pure Fe. The second study involves a Moessbauer source experiment on {sup 57} CoPd{sub 0.80}Co{sub 0.20}, in which disorder is of the quenched random exchange type perturbed by a very weak random anisotropy interaction. The critical exponent {beta} deduced over the range 1 {times} 10{sup {minus}2} < t < 2 {times} 10{sup {minus}1} is 0.385(20), and is consistent with the theoretical prediction for quenched disordered 3d Heisenberg systems: the disorder is irrelevant to the critical behavior. However, because of the restricted range of reduced temperature, the result is insufficiently asymptotic to serve as a conclusive test of the theory. Outside the critical region the distribution of Fe{sup 57} hyperfine field in Pd{sub 0.80}Co{sub 0.20} is observed to have an anomalous temperature dependence characterized by a linear increase in the width of the field distribution for T/T{sub C} {ge} 0.6.« less

Moessbauer Mineralogy on the Moon: The Lunar Regolith

NASA Technical Reports Server (NTRS)

Morris, Richard V.; Korotev, Randy L..; Shelfer, Tad D.; Klingelhoefer, Goestar

1997-01-01

A first-order requirement for spacecraft missions that land on solid planetary objects is instrumentation for mineralogical analyses. For purposes of providing diagnostic information about naturally-occurring materials, the element iron is particularly important because it is abundant and multivalent. Knowledge of the oxidation state of iron and its distribution among iron-bearing mineralogies tightly constrains the types of materials present and provides information about formation and modification (weathering) processes. Because Moessbauer spectroscopy is sensitive to both the valence of iron and its local chemical environment, the technique is unique in providing information about both the relative abundance of iron-bearing phases and oxidation state of the iron. The Moessbauer mineralogy of lunar regolith samples (primarily soils from the Apollo 16 and 17 missions to the Moon) were measured in the laboratory to demonstrate the strength of the technique for in situ mineralogical exploration of the Moon. The regolith samples were modeled as mixtures of five iron-bearing phases: olivine, pyroxene, glass, ilmenite, and metal. Based on differences in relative proportions of iron associated with these phases, volcanic ash regolith can be distinguished from impact-derived regolith, impact-derived soils of different geologic affinity (e.g., highlands, maria) can be distinguished on the basis of their constituent minerals, and soil maturity can be estimated. The total resonant absorption area of the Moessbauer spectrum can be used to estimate total FeO concentrations.

The Miniaturized Moessbauer Spectrometers MIMOS II on MER: Four Years of Operation - A Summary

NASA Technical Reports Server (NTRS)

Fleischer, I.; Klingelhoefer, G.; Morris, R. V.; Rodionov, D.; Blumers, M.; Bernhardt, B.; Schroeder, C.; Ming, D. W.; Yen, A. S.; Cohen, B. A.;

Iron-oxide Aerogel and Xerogel Catalyst Formulations: Characterization by 57Fe Mössbauer and XAFS Spectroscopies

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

Huggins, F.; Bali, S; Huffman, G

2010-01-01

Iron in various iron-oxide aerogel and xerogel catalyst formulations ({ge}85% Fe{sub 2}O{sub 3}; {le}10% K, Co, Cu, or Pd) developed for possible use in Fischer-Tropsch synthesis (FTS) or the water-gas-shift (WGS) reaction has been examined by {sup 57}Fe Moessbauer spectroscopy. The seventeen samples consisted of both as-prepared and calcined aerogels and xerogels and their products after use as catalysts for FTS or the WGS reaction. Complementary XAFS spectra were obtained on the occurrence of the secondary elements in some of the same materials. A broad, slightly asymmetric, two-peak Moessbauer spectrum was obtained from the different as-prepared and calcined catalyst formulationsmore » in the majority of cases. Such spectra could only be satisfactorily fit with three quadrupole doublet components, but no systematic trends in the isomer shift and quadrupole splitting parameters and area ratios of the individual components could be discerned that reflected variations in the composition or preparation of the aerogel or xerogel materials. However, significant reductions were noted in the Moessbauer effective thickness (recoilless absorption effect per unit mass of iron) parameter, {chi}{sub eff}/g, determined at room temperature, for aerogels and xerogels compared to bulk iron oxides, reflecting the openness and lack of rigidity of the aerogel and xerogel structures. Moessbauer measurements for two aerogels over the range from 15 to 292 K confirmed the greatly diminished nature of this parameter at room temperature. Major increases in the effective thickness parameter were observed when the open structure of the aerogel or xerogel collapsed during calcination resulting in the formation of iron oxides (hematite, spinel ferrite). Similar structural changes were indicated by increases in this parameter after use of iron-oxide aerogels as catalysts for FTS or the WGS reaction, during which the iron-oxide aerogel was converted to a mixture of nonstoichiometric magnetite and the Haegg carbide, {chi}-Fe{sub 5}C{sub 2}, or nonstoichiometric magnetite, respectively.« less

Hematite at Meridiani Planum and Gusev Crater as identified by the Moessbauer Spectrometer MIMOS II

NASA Technical Reports Server (NTRS)

Klingelhoefer, G.; Morris, R. V.; Rodionov, D.; Schroeder, C.; de Souza, P. A.; Yen, A.; Renz, F.; Wdowiak, T.

2006-01-01

The Moessbauer (MB) spectrometers on the MER rovers Opportunity and Spirit, which landed on Mars in January 2004, have identified the iron-containing mineral hematite (a-Fe2O3) at both landing sites. On Earth, hematite can occur either by itself or with other iron oxides as massive deposits, in veins , and as particles dispersed through a silicate or other matrix material. Hematite particle size can range from nanophase (superparamagnetic) to multidomain and particle shape ranges from equant to acicular to platy. Fine-grained hematite is red in color and is a pigmenting agent. Coarse-grained hematite can be spectrally neutral (gray) at visible wavelengths. Substitutional impurities, particularly Al, are common in hematite. Chemically pure, coarse-grained, and well-crystalline hematite has a magnetic transition (the Morin transition) at 260 K. Moessbauer spectra, recorded as a function of temperature, provide a way to characterize Martian hematite with respect to some of the physical and chemical characteristics. At Meridiani Planum besides the iron-sulfate mineral jarosite also the Fe-oxide hematite has been identified by the Moessbauer spectrometer, mainly in three distinct types of reservoir: - outcrop matrix material dominated by the mineral jarosite in the MB spectrum, certain basaltic soils, and mm-sized spherules dubbed blueberries. Moessbauer spectra of each reservoir yield a distinct set of hyperfine parameters for hematite, suggesting different degrees of crystallinity and particle size. The hematite found by MB instrument MIMOS II in the outcrop material shows the Morin transition at relatively high temperatures (ca. 250 K) which is an indication of pure and well-crystallized hematite. The source of the hematite in the Blueberries as identified by Moessbauer spectroscopy, and also by MiniTES, is not known. These spherules, covering nearly the whole landing site area (Eagle crater, plains, Endurance crater), may be concretions formed in the outcrop involving aqueous processes. They are dispersed throughout the hematite containing jarositic outcrop material. According to Moessbauer analysis the dominating iron-bearing mineral in the spherules is hematite, and jarosite not been detected so far in significant amounts. But there are some places with hematite showing characteristics different from the hematite described above: (1) the soil at B023_HematiteSlope_Hema2 has some blueberries, but the MB did not seem to intercept any. The temperature dependence of its MB parameters are different from those of blueberries. (2) B049_RasberryNewton_Filling shows a unique Hm MB signature, as well as (3) B051_RealSharksTooth_Enamel1.

Effect of cycled combustion ageing on a cordierite burner plate

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

Garcia, Eugenio; Gancedo, J. Ramon; Gracia, Mercedes, E-mail: rocgracia@iqfr.csic.es

2010-11-15

A combination of {sup 57}Fe-Moessbauer spectroscopy and X-ray Powder Diffraction analysis has been employed to study modifications in chemical and mechanical stability occurring in a cordierite burner aged under combustion conditions which simulate the working of domestic boilers. Moessbauer study shows that Fe is distributed into the structural sites of the cordierite lattice as Fe{sup 2+} and Fe{sup 3+} ions located mostly at octahedral sites. Ferric oxide impurities, mainly hematite, are also present in the starting cordierite material accounting for {approx_equal}40% of the total iron phases. From Moessbauer and X-ray diffraction data it can be deduced that, under the combustionmore » conditions used, new crystalline phases were formed, some of the substitutional Fe{sup 3+} ions existing in the cordierite lattice were reduced to Fe{sup 2+}, and ferric oxides underwent a sintering process which results in hematite with higher particle size. All these findings were detected in the burner zone located in the proximity of the flame and were related to possible chemical reactions which might explain the observed deterioration of the burner material. Research Highlights: {yields}Depth profile analyses used as a probe to understand changes in refractory structure. {yields}All changes take place in the uppermost surface of the burner, close to the flame. {yields}Reduction to Fe{sup 2+} of substitutional Fe{sup 3+} ions and partial cordierite decomposition. {yields}Heating-cooling cycling induces a sintering of the existing iron oxide particles. {yields}Chemical changes can explain the alterations observed in the material microstructure.« less

A sup 57 Co Moessbauer emission spectrometric study of some supported CoMo hydrodesulfurization catalysts

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

Veen, J.A.R. van; Hendriks, P.A.J.M.; Beens, H.

1992-01-01

A suite of 11 CoMo/Al{sub 2}O{sub 4} (and one CoMo/SiO{sub 2}) catalysts has been prepared employing four preparation routes, viz. one sequential-impregnation route and three different coimpregnation routes. Speciation of the Co present in the oxidic precursors (octahedral vs tetrahedral Co) and in the activated, sulfided catalysts (CoMoS, Co{sub 9}S{sub 8}, and unsulfided Co) was effected with the aid of {sup 57}Co Moessbauer emission spectroscopy (MES). A linear relation between the thiophene-hydrodesulfurization (HDS) activity and wt% Co-in-CoMoS was observed for each preparation route, but no unique correlation was found to exist. This was traced to the fact that the preparationmore » routes differ in the amount of CoMoS I and CoMoS II they produce in the activated catalyst. Although these two phases differ in specific activity, CoMoS II being twice as active in thiophene HDS as CoMoS I, they cannot be distinguished on the basis of their Moessbauer parameters. It appears that octahedral Co is easier to sulfide than tetrahedral Co, but a substantial fraction of the latter is also found to be capable of entering CoMoS upon sulfidation. The reduced effectiveness of high-loading catalysts is traced to their being prone to CoMoO{sub 4} formation in the calcination step. A rationalization of this behavior is offered.« less

Bricks in historical buildings of Toledo City: characterisation and restoration

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

Lopez-Arce, Paula; Garcia-Guinea, Javier; Gracia, Mercedes

2003-01-15

Two different types of ancient bricks (12th to 14th centuries) collected from historical buildings of Toledo (Spain) were characterised by optical microscopy, scanning electron microscopy/energy-dispersive X-ray spectrometers (SEM/EDS), electron probe microanalysis (EM), X-ray diffraction (XRD), differential thermal analysis (DTA) and {sup 57}Fe-Moessbauer spectroscopy. Physical properties such as water absorption and suction, porosity, density and compression strength were also determined. Several minerals found in the brick matrix, such as garnet, let us infer raw material sources; calcite, dolomite, illite and neoformed gehlenite and diopside phases, on temperature reached in firing; secondary calcite, on first cooling scenarios; and manganese micronodules, on latemore » pollution environments. XRD and DTA of original and refired samples supply information about firing temperatures. Additional data on firing conditions and type of the original clay are provided by the Moessbauer study. Physical properties of both types of bricks were compared and correlated with raw materials and fabric and firing technology employed. The physicochemical characterisation of these bricks provides valuable data for restoration purposes to formulate new specific bricks using neighbouring raw materials.« less

Evolution of the Active Phase of CoMo/Al2O3 Catalysts under Industrial Conditions: a High-Pressure MES Study

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

Dugulan, A.I.; Overweg, A.R.; Craje, M.W.J.

2005-04-26

The behavior of CoMo/Al2O3 catalysts sulfided in H2S/H2 gas mixture, under industrial conditions, was investigated using Moessbauer emission spectroscopy (MES). An intermediate Co-Mo phase is formed after increasing the sulfidation pressure to 4 MPa, favoring the Co-Mo-S phase formation. An increase in the quadrupole splitting value of the Co-sulfide species after treatment at 573 K is proposed as a prerequisite for the formation of ideal Co-Mo-S structures.

Hematite at Meridiani Planum and Gusev Crater as identified by the Moessbauer Spectrometer MIMOS II

NASA Astrophysics Data System (ADS)

Klingelhoefer, G.; Morris, R. V.; Rodionov, D.; Schroeder, C.; de Souza, P. A.; Yen, A.; Renz, F.; Wdowiak, T.

2004-12-01

The Moessbauer (MB) spectrometers on the MER rovers Opportunity and Spirit, which landed on Mars in January 2004, have identified the iron-containing mineral hematite (a-Fe2O3) at both landing sites. On Earth, hematite can occur either by itself or with other iron oxides as massive deposits, in veins , and as particles dispersed through a silicate or other matrix material. Hematite particle size can range from nanophase (superparamagnetic) to multidomain and particle shape ranges from equant to acicular to platy. Fine-grained hematite is red in color and is a pigmenting agent. Coarse-grained hematite can be spectrally neutral (gray) at visible wavelengths. Substitutional impurities, particularly Al, are common in hematite. Chemically pure, coarse-grained, and well-crystalline hematite has a magnetic transition (the Morin transition) at ~260 K. Moessbauer spectra, recorded as a function of temperature, provide a way to characterize Martian hematite with respect to some of the physical and chemical characteristics. At Meridiani Planum besides the iron-sulfate mineral jarosite also the Fe-oxide hematite has been identified by the Moessbauer spectrometer, mainly in three distinct types of reservoir: - outcrop matrix material dominated by the mineral jarosite in the MB spectrum, certain basaltic soils, and mm-sized spherules dubbed blueberries. Moessbauer spectra of each reservoir yield a distinct set of hyperfine parameters for hematite, suggesting different degrees of crystallinity and particle size. The hematite found by MB instrument MIMOS II in the outcrop material shows the Morin transition at relatively high temperatures (ca. 250 K) which is an indication of pure and well-crystallized hematite. The source of the hematite in the `Blueberries' as identified by Moessbauer spectroscopy, and also by MiniTES, is not known. These spherules, covering nearly the whole landing site area (Eagle crater, plains, Endurance crater), may be concretions formed in the outcrop involving aqueous processes. They are dispersed throughout the hematite containing jarositic outcrop material. According to Moessbauer analysis the dominating iron-bearing mineral in the spherules is hematite, and jarosite not been detected so far in significant amounts. But there are some places with hematite showing characteristics different from the hematite described above: (1) the soil at B023-HematiteSlope-Hema2 has some blueberries, but the MB did not seem to intercept any. The temperature dependence of its MB parameteres are different from those of blueberries. (2) B049-RasberryNewton-Filling shows a unique Hm MB signature, as well as (3) B051-RealSharksTooth-Enamel1. At Gusev Crater no widespread occurrence of hematite has been detected on the Gusev plains, although minor amounts of hematite were detected in an alteration rind on the rock Mazatzal at the rim of Bonneville crater. At the Columbia Hills, however, the MB instrument did find hematite in significant amounts in highly altered rocks, showing at the same time a significant decrease in the amount of olivine compared to typical basaltic rocks at Gusev crater.

Elasticity and magnetocaloric effect in MnFe 4Si 3

DOE PAGES

Herlitschke, Marcus; Klobes, B.; Sergueev, I.; ...

2016-03-16

The room temperature magnetocaloric material MnFe 4Si 3 was investigated with nuclear inelastic scattering (NIS) and resonant ultrasound spectroscopy (RUS) at different temperatures and applied magnetic fields in order to assess the infuence of the magnetic transition and the magnetocaloric effect on the lattice dynamics. The NIS data give access to phonons with energies above 3 meV, whereas RUS probes the elasticity of the material in the MHz frequency range and thus low energy, ~5 neV, phonon modes. A significant infuence of the magnetic transition on the lattice dynamics is observed only in the low energy region. Here, MnFe 4Simore » 3 and other compounds in the Mn 5-xFe xSi 3 series were also investigated with vibrating sample magnetometry, resistivity measurements and Moessbauer spectroscopy in order to study the magnetic transitions and to complement the obtained results on the lattice dynamics.« less

Coupling Nuclear Induced Phonon Propagation with Conversion Electron Moessbauer Spectroscopy

DTIC Science & Technology

2015-06-18

penetrating and a small detector with low density will be insensitive to the gammas. Thus, a small gas proportional counter is ideal for this application ...and Materials Science Vol. 1. Plenum: New York, 1993. 16. Long, G. J. and Stevens, J. G., eds. (1986) " Industrial applications of the Mössbauer...proportional gas detector attached to left side of 1” diameter stainless steel type-310 bar, phonon source encased in a mounting device attached to the right

Nuclear Bragg scattering studies in [sup 57]Fe with synchrotron radiation

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

Haustein, P.E.

1993-01-01

Studies of nuclear Bragg x-ray scattering of synchrotron radiation, using crystals of [alpha]-[sup 57]Fe[sub 2]O[sub 3], have been carried out at the NSLS at Brookhaven National Laboratory and at the Cornell University CHESS facility. These studies have demonstrated that nuclear resonance states can be used to produce filtered x-ray beams which have extremely narrow bandwidth, small angular divergence and unique polarization and temporal properties. this combination of characteristics, unobtainable with radioactive sources, makes synchrotron-based Moessbauer spectroscopy feasible and is an important complement to existing methods. A review of the experimental methodology is presented. As well as come suggestions for fullermore » exploitation of this new technique.« less

Nuclear Bragg scattering studies in {sup 57}Fe with synchrotron radiation

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

Haustein, P.E.

1993-03-01

Studies of nuclear Bragg x-ray scattering of synchrotron radiation, using crystals of {alpha}-{sup 57}Fe{sub 2}O{sub 3}, have been carried out at the NSLS at Brookhaven National Laboratory and at the Cornell University CHESS facility. These studies have demonstrated that nuclear resonance states can be used to produce filtered x-ray beams which have extremely narrow bandwidth, small angular divergence and unique polarization and temporal properties. this combination of characteristics, unobtainable with radioactive sources, makes synchrotron-based Moessbauer spectroscopy feasible and is an important complement to existing methods. A review of the experimental methodology is presented. As well as come suggestions for fullermore » exploitation of this new technique.« less

Size-dependent effects in supported highly dispersed Fe2O3 catalysts, doped with Pt and Pd

NASA Astrophysics Data System (ADS)

Cherkezova-Zheleva, Zara; Shopska, Maya; Mitov, Ivan; Kadinov, Georgi

2010-06-01

Series of Fe and Fe-Me (Me = Pt or Pd) catalyst supported on γ-Al2O3, TiO2 (anatase) or diatomite were prepared by the incipient wetness impregnation method. The metal loading was 8 wt.% Fe and 0.7 wt.% noble metal. The preparation and pretreatment conditions of all studied samples were kept to be the same. X-ray diffraction, Moessbauer spectroscopy, X-ray photoelectron spectroscopy and temperature-programmed reduction are used for characterization of the supports and the samples at different steps during their treatment and catalytic tests. The catalytic activity of the samples was tested in the reaction of total benzene oxidation. The physicochemical and catalytic properties of the obtained materials are compared with respect of the different chemical composition, dispersion of used carriers and of the supported phases. Samples with the same composition prepared by mechanical mixing are studied as catalysts for comparison and for clearing up the presence of size-dependent effect, also.

SEM, optical, and Moessbauer studies of submicrometer chromite in Allende

NASA Technical Reports Server (NTRS)

Housley, R. M.

1982-01-01

New scanning electron and optical microscope results are presented showing that sub-micrometer chromite is abundant along healed cracks and grain boundaries in Allende chondrule olivine. Some wider healed cracks also contain pentlandite and euhedral Ni3Fe grains. Also reported are Moessbauer measurements on Allende HF-HCl residues confirming a high Fe(+++)/Fe(++) ratio.

MSATT Workshop on Innovative Instrumentation for the In Situ Study of Atmosphere-Surface Interactions on Mars

NASA Technical Reports Server (NTRS)

Fegley, Bruce, Jr. (Editor); Waenke, Heinrich (Editor)

1992-01-01

Papers accepted for the Mars Surface and Atmosphere Through Time (MSATT) Workshop on Innovative Instruments for the In Situ Study of Atmosphere-Surface Interaction of Mars, 8-9 Oct. 1992 in Mainz, Germany are included. Topics covered include: a backscatter Moessbauer spectrometer (BaMS) for use on Mars; database of proposed payloads and instruments for SEI missions; determination of martian soil mineralogy and water content using the Thermal Analyzer for Planetary Soils (TAPS); in situ identification of the martian surface material and its interaction with the martian atmosphere using DTA/GC; mass spectrometer-pyrolysis experiment for atmospheric and soil sample analysis on the surface of Mars; and optical luminescence spectroscopy as a probe of the surface mineralogy of Mars.

Moessbauer Footprint in the Soil

NASA Technical Reports Server (NTRS)

2004-01-01

This 3-D image taken by the microscopic imager onboard the Mars Exploration Rover Opportunity shows a circular imprint left in the Meridiani Planum soil by the rover's Moessbauer spectrometer, an instrument located on its arm that detects iron-bearing minerals. Scientists are studying the curiously rounded grains for clues about the soil's history. The observed area is 3 centimeters (1.2 inches) across.

Iron-sulfur mineralogy of Mars - Magmatic evolution and chemical weathering products

NASA Technical Reports Server (NTRS)

Burns, Roger G.; Fisher, Duncan S.

1990-01-01

Models are developed for the magmatic evolution and the oxidative weathering of sulfide minerals on Mars, based on petrogenetic associations among komatiitic rock types, Viking geochemical data, SNC meteorites, and terrestrial Fi-Ni deposits. The weathering model was tested by exposing komatiitic pyrrhotites and olivines to sulfuric acid solutions, with or without dissolved ferric iron, and identifying the reaction products by Moessbauer spectroscopy. The results suggest that, on Mars, acidic groundwater has induced oxidative weathering of pyrrhotite, yielding FeS2 and then FeOOH.

Sampling Martian Soil

NASA Technical Reports Server (NTRS)

2004-01-01

Scientists were using the Moessbauer spectrometer on NASA's Mars Exploration Rover Spirit when something unexpected happened. The instrument's contact ring had been placed onto the ground as a reference point for placement of another instrument, the alpha particle X-ray spectrometer, for analyzing the soil. After Spirit removed the Moessbauer from the target, the rover's microscopic imager revealed a gap in the imprint left behind in the soil. The gap, about a centimeter wide (less than half an inch), is visible on the left side of this mosaic of images. Scientists concluded that a small chunk of soil probably adhered to the contact ring on the front surface of the Moessbauer. Before anyone saw that soil may have adhered to the Moessbauer, that instrument was placed to analyze martian dust collected by a magnet on the rover. The team plans to take images to see if any soil is still attached to the Moessbauer. Spirit took these images on the rover's 240th martian day, or sol (Sept. 4, 2004).

Moessbauer Nose Print

NASA Technical Reports Server (NTRS)

2004-01-01

This image was taken by the microscopic imager, an instrument located on the Mars Exploration Rover Opportunity 's instrument deployment device, or 'arm.' The image shows the imprint of the donut-shaped plate on the rover's Moessbauer spectrometer instrument, also located on the 'arm.' The Moessbauer spectrometer was deployed within the trench to investigate the fine-grained soil for iron-bearing minerals. The area in this image measures approximately 3 centimeters (1.2 inches) across.

Moessbauer studies in zinc-manganese ferrites for use in measuring small velocities and accelerations with great precision

NASA Technical Reports Server (NTRS)

Escue, W. T.; Gupta, R. G.; Mendiratta, R. G.

1975-01-01

Mossbauer spectroscopy was used for a systematic study of the magnetic behavior of manganese and zinc in mixed ferrites. It was observed that Zn2+ has preference to substitute Mn2+ at interstitial sites where the metal ions are tetrahedrally coordinated with four oxygen neighbors. The internal magnetic hyperfine field at the tetrahedral iron site is larger than that at the octahedral site. The relaxation effects were observed to play an important role as the zinc contents were increased, while the spin-correlation time and the magnetic field were observed to decrease in strength. It is concluded that Mossbauer effect data on complex materials, when used in conjunction with other data, can provide useful insight into the origin of the microscopic properties of magnetic materials.

Moessbauer Spectroscopy for Lunar Resource Assessment: Measurement of Mineralogy and Soil Maturity

NASA Technical Reports Server (NTRS)

Morris, R. V.; Agresti, D. G.; Shelfer, T. D.; Pimperl, M. M.; Shen, M.-H.; Gibson, M. A.; Wills, E. L.

1992-01-01

First-order assessment of lunar soil as a resource includes measurement of its mineralogy and maturity. Soils in which the mineral ilmenite is present in high concentrations are desirable feedstock for the production of oxygen at a lunar base. The maturity of lunar soils is a measure of their relative residence time in the upper 1 mm of the lunar surface. Increasing maturity implies increasing load of solar wind species (e.g., N, H, and He-3), decreasing mean grain size, and increasing glass content. All these physicochemical properties that vary in a regular way with maturity are important parameters for assessing lunar soil as a resource. For example, He-3 can be extracted and potentially used for nuclear fusion. A commonly used index for lunar soil maturity is I(sub s)/FeO, which is the concentration of fine-grained metal determined by ferromagnetic resonance (I(sub s)) normalized to the total iron content (as FeO). I(sub s)/FeO has been measured for virtually every soil returned by the Apollo and Luna missions to the Moon. Because the technique is sensitive to both oxidation state and mineralogy, iron Moessbauer spectroscopy (FeMS) is a viable technique for in situ lunar resource assessment. Its utility for mineralogy is apparent from examination of published FeMS data for lunar samples. From the data published, it can be inferred that FeMS data can also be used to determine soil maturity. The use of FeMS to determine mineralogy and maturity and progress on development of a FeMS instrument for lunar surface use are discussed.

Non-Destructive Classification Approaches for Equilbrated Ordinary Chondrites

NASA Technical Reports Server (NTRS)

Righter, K.; Harrington, R.; Schroeder, C.; Morris, R. V.

2013-01-01

Classification of meteorites is most effectively carried out by petrographic and mineralogic studies of thin sections, but a rapid and accurate classification technique for the many samples collected in dense collection areas (hot and cold deserts) is of great interest. Oil immersion techniques have been used to classify a large proportion of the US Antarctic meteorite collections since the mid-1980s [1]. This approach has allowed rapid characterization of thousands of samples over time, but nonetheless utilizes a piece of the sample that has been ground to grains or a powder. In order to compare a few non-destructive techniques with the standard approaches, we have characterized a group of chondrites from the Larkman Nunatak region using magnetic susceptibility and Moessbauer spectroscopy.

Fe-57 Moessbauer study of tektites

NASA Technical Reports Server (NTRS)

Evans, B. J.; Leung, L. K.

1976-01-01

Moessbauer measurements were made on selected moldavite, australite, philippinite, and Georgia tektites. The spectra consist of two apparent lines, but at least two quadrupole doublets can be fitted to these spectra. The Moessbauer parameters for these doublets indicate that they arise from Fe2+ ions with local environments, which are relatively rich and relatively poor in calcium, respectively, similar to those in clinopyroxenes. No evidence for Fe3+/Fe2+ ratios above 0.01 (estimated detection limit) have been found in any tektite. Tektites are considerably more reduced than previously believed, and the extent of the reduction shows little or no variation among different types of tektites. These results limit the source materials of tektites to minerals in which the iron is uniformly highly reduced and in which the iron is contained clinopyroxene-like phases.

Interfacial chemical reactions between MoS2 lubricants and bearing materials

NASA Technical Reports Server (NTRS)

Zabinski, J. S.; Tatarchuk, B. J.

1989-01-01

XPS and conversion-electron Moessbauer spectroscopy (CEMS) were used to examine iron that was deposited on the basal plane of MoS2 single crystals and subjected to vacuum annealing, oxidizing, and reducing environments. Iron either intercalated into the MoS2 structure or formed oriented iron sulfides, depending on the level of excess S in the MoS2 structure. CEMS data demonstrated that iron sulfide crystal structures preferentially aligned with respect to the MoS2 basal plane, and that alignment (and potentially adhesion) could be varied by appropriate high-temperature annealing procedures.

Emerging surface characterization techniques for carbon steel corrosion: a critical brief review.

PubMed

Dwivedi, D; Lepkova, K; Becker, T

2017-03-01

Carbon steel is a preferred construction material in many industrial and domestic applications, including oil and gas pipelines, where corrosion mitigation using film-forming corrosion inhibitor formulations is a widely accepted method. This review identifies surface analytical techniques that are considered suitable for analysis of thin films at metallic substrates, but are yet to be applied to analysis of carbon steel surfaces in corrosive media or treated with corrosion inhibitors. The reviewed methods include time of flight-secondary ion mass spectrometry, X-ray absorption spectroscopy methods, particle-induced X-ray emission, Rutherford backscatter spectroscopy, Auger electron spectroscopy, electron probe microanalysis, near-edge X-ray absorption fine structure spectroscopy, X-ray photoemission electron microscopy, low-energy electron diffraction, small-angle neutron scattering and neutron reflectometry, and conversion electron Moessbauer spectrometry. Advantages and limitations of the analytical methods in thin-film surface investigations are discussed. Technical parameters of nominated analytical methods are provided to assist in the selection of suitable methods for analysis of metallic substrates deposited with surface films. The challenges associated with the applications of the emerging analytical methods in corrosion science are also addressed.

Emerging surface characterization techniques for carbon steel corrosion: a critical brief review

NASA Astrophysics Data System (ADS)

Dwivedi, D.; Lepkova, K.; Becker, T.

2017-03-01

Carbon steel is a preferred construction material in many industrial and domestic applications, including oil and gas pipelines, where corrosion mitigation using film-forming corrosion inhibitor formulations is a widely accepted method. This review identifies surface analytical techniques that are considered suitable for analysis of thin films at metallic substrates, but are yet to be applied to analysis of carbon steel surfaces in corrosive media or treated with corrosion inhibitors. The reviewed methods include time of flight-secondary ion mass spectrometry, X-ray absorption spectroscopy methods, particle-induced X-ray emission, Rutherford backscatter spectroscopy, Auger electron spectroscopy, electron probe microanalysis, near-edge X-ray absorption fine structure spectroscopy, X-ray photoemission electron microscopy, low-energy electron diffraction, small-angle neutron scattering and neutron reflectometry, and conversion electron Moessbauer spectrometry. Advantages and limitations of the analytical methods in thin-film surface investigations are discussed. Technical parameters of nominated analytical methods are provided to assist in the selection of suitable methods for analysis of metallic substrates deposited with surface films. The challenges associated with the applications of the emerging analytical methods in corrosion science are also addressed.

Emerging surface characterization techniques for carbon steel corrosion: a critical brief review

PubMed Central

Dwivedi, D.; Becker, T.

2017-01-01

Carbon steel is a preferred construction material in many industrial and domestic applications, including oil and gas pipelines, where corrosion mitigation using film-forming corrosion inhibitor formulations is a widely accepted method. This review identifies surface analytical techniques that are considered suitable for analysis of thin films at metallic substrates, but are yet to be applied to analysis of carbon steel surfaces in corrosive media or treated with corrosion inhibitors. The reviewed methods include time of flight-secondary ion mass spectrometry, X-ray absorption spectroscopy methods, particle-induced X-ray emission, Rutherford backscatter spectroscopy, Auger electron spectroscopy, electron probe microanalysis, near-edge X-ray absorption fine structure spectroscopy, X-ray photoemission electron microscopy, low-energy electron diffraction, small-angle neutron scattering and neutron reflectometry, and conversion electron Moessbauer spectrometry. Advantages and limitations of the analytical methods in thin-film surface investigations are discussed. Technical parameters of nominated analytical methods are provided to assist in the selection of suitable methods for analysis of metallic substrates deposited with surface films. The challenges associated with the applications of the emerging analytical methods in corrosion science are also addressed. PMID:28413351

Sulfidation of Co/Al[sub 2]O[sub 3] and CoMo/Al[sub 2]O[sub 3] catalysts studied by Moessbauer emission spectroscopy

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

Craje, M.W.J.; Kraan, A.M. van der; Beer, V.H.J. de

1993-10-01

The structure of hydrodesulfurization catalysts is relevant to many industries. The sulfidation of uncalcined and calcined alumina-supported cobalt and cobalt-molybdenum catalysts was systematically studied by means of in situ Moessbauer emission spectroscopy (MES) at room temperature. The spectra obtained during the stepwise sulfidation of the uncalcined catalysts clearly resemble those observed for carbon-supported ones. Hence, the interpretation of the spectra of the alumina-supported catalysts is based on the conclusions drawn from the MES studies of the carbon-supported catalysts, which are less complex because Co ions do not diffuse into the support. It is demonstrated that not only in sulfided CoMo/Al[submore » 2]O[sub 3], but also in sulfided Co/Al[sub 2]O[sub 3], catalysts Co-sulfide species with a [open quotes]Co-Mo-S[close quotes]-type quadrupole splitting can be formed. It is concluded that the Co-sulfide species formed in sulfided Co/Al[sub 2]O[sub 3] and CoMo/Al[sub 2]O[sub 3] catalysts are essentially the same, only the particle size and ordering of the Co-sulfide species may differ, as in the case of Co/C and CoMo/C catalysts. The function of the Mo, which is present as MoS[sub 2], is merely to stabilize very small Co-sulfide particles, which in the limit contain only one single Co atom. Furthermore, it turns out that the value of the electric quadrupole splitting (Q.S. value) of the Co-sulfide phase in the sulfided catalysts depends on the sulfiding temperature and Co content. This observation leads to the conclusion that large Q.S. values point to the presence of very small Co-sulfide entities or particles (the lower limit being [open quotes]particles[close quotes] containing only one Co atom, such as proposed in the [open quotes]Co-Mo-S[close quotes] model), whereas small Q.S. values point to the presence of large Co-sulfide particles (the upper limit being crystalline Co[sub 9]S[sub 8]). 28 refs., 7 figs., 6 tabs.« less

Mark of the Moessbauer

NASA Technical Reports Server (NTRS)

2004-01-01

This image, taken by an instrument called the microscopic imager on the Mars Exploration Rover Spirit, reveals an imprint left by another instrument, the Moessbauer spectrometer. The imprint is at a location within the rover wheel track named 'Middle of Road.' Both instruments are located on the rover's instrument deployment device, or 'arm.'

Not only was the Moessbauer spectrometer able to gain important mineralogical information about this site, it also aided in the placement of the microscopic imager. On hard rocks, the microscopic imager uses its tiny metal sensor to determine proper placement for best possible focus. However, on the soft martian soil this guide would sink, prohibiting proper placement of the microscopic imager. After the Moessbauer spectrometer's much larger, donut-shaped plate touches the surface, Spirit can correctly calculate where to position the microscopic imager.

Scientists find this image particularly interesting because of the compacted nature of the soil that was underneath the Moessbauer spectrometer plate. Also of interest are the embedded, round grains and the fractured appearance of the material disturbed within the hole. The material appears to be slightly cohesive. The field of view in this image, taken on Sol 43 (February 16, 2004), measures approximately 3 centimeters (1.2 inches) across.

Cation distributions on rapidly solidified cobalt ferrite

NASA Technical Reports Server (NTRS)

De Guire, Mark R.; Kalonji, Gretchen; O'Handley, Robert C.

1990-01-01

The cation distributions in two rapidly solidified cobalt ferrites have been determined using Moessbauer spectroscopy at 4.2 K in an 8-T magnetic field. The samples were obtained by gas atomization of a Co0-Fe2O3-P2O5 melt. The degree of cation disorder in both cases was greater than is obtainable by cooling unmelted cobalt ferrite. The more rapidly cooled sample exhibited a smaller departure from the equilibrium cation distribution than did the more slowly cooled sample. This result is explained on the basis of two competing effects of rapid solidification: high cooling rate of the solid, and large undercooling.

Sampling Martian Soil (3-D)

NASA Technical Reports Server (NTRS)

2004-01-01

[figure removed for brevity, see original site] [figure removed for brevity, see original site] Figure 1Figure 2

Scientists were using the Moessbauer spectrometer on NASA's Mars Exploration Rover Spirit when something unexpected happened. The instrument's contact ring had been placed onto the ground as a reference point for placement of another instrument, the alpha particle X-ray spectrometer, for analyzing the soil. After Spirit removed the Moessbauer from the target, the rover's microscopic imager revealed a gap in the imprint left behind in the soil. The gap, about a centimeter wide (less than half an inch), is visible on the left side of this stereo view. Scientists concluded that a small chunk of soil probably adhered to the contact ring on the front surface of the Moessbauer. Before anyone saw that soil may have adhered to the Moessbauer, that instrument was placed to analyze martian dust collected by a magnet on the rover. The team plans to take images to see if any soil is still attached to the Moessbauer. Spirit took these images on the rover's 240th martian day, or sol (Sept. 4, 2004).

Figure 1 is the left-eye view of a stereo pair and Figure 2 is the right-eye view of a stereo pair.

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

Theil, Elizabeth C.; Department of Nutritional Science and Toxicology, University of California, Berkeley, CA 94720

Ferritins are protein nanocages that use iron and oxygen chemistry to concentrate iron and trap dioxygen or hydrogen peroxide in biominerals of hydrated ferric oxides, 5-8 nm in diameter, inside the cages. The proteins are found in nature from archea to humans. Protein catalytic sites are embedded in the protein cage and initiate mineralization by oxido-reduction of ferrous ions and dioxygen or hydrogen peroxide to couple two iron ions through a peroxo bridge, followed by decay to diferric oxo/hydroxyl mineral precursors; ferritin protein subdomains that fold/unfold independently of the protein cage control recovery of ferrous ions from the mineral. Earlymore » EXAFS (1978) was extremely useful in defining the ferritin mineral. More recent use of rapid freeze quench (RFQ) EXAFS spectroscopies, coupled with RFQ Moessbauer, Resonance Raman and rapid mixing UV-vis spectroscopy, have identified and characterized unusual ferritin protein catalytic intermediates and mineral precursors. EXAFS spectroscopy can play an important role in the future understanding of protein catalysis in metalloproteins such as ferritin, ribonucleotide reductase and methane monooxygenases. Needed are instrumentation improvements that will provide rapid-scan fluorescence spectra with high signal/noise ratios.« less

Sn 1-x VxOy thin films deposited by pulsed laser ablation for gas sensing devices

NASA Astrophysics Data System (ADS)

Duhalde, Stella; Vignolo, M. F.; Quintana, G.; Mercader, R.; Lamagna, Antonino

2000-02-01

Polycrystalline pure and V-doped SnO2 thin films have been prepare by pulsed laser deposition (PLD) on Si substrates, with a Si3Ni4 buffered layer. PLD technique, under proper conditions, has probed to produce nanocrystalline-structured materials, which are suitable for gas sensing. In this work we analyze the role of V doping in the structural properties and in the electrical conductivity of the films. The deposition temperature was fixed at 600 degrees C and the films were grown in oxygen atmosphere. The films resulted nanocrystalline with 50 to 120 nm average grain size connected by necks with high surface areas. The microstructural and electronic properties of all the films were analyzed using scanning-electron microscopy, x-ray diffraction and conversion electron Moessbauer spectroscopy. Electrical conductance in a dynamic regime in dry synthetic air has been evaluated as a function of temperature. Moessbauer spectra reveal the presence of 15 percent of Sn2+ in the 5at. percent V-doped films. At about 340 degrees C, a strong increase in the conductivity of the films occurs. Possible explanations are that thermal energy could excite electrons from the vanadium ions into the crystal's conduction band or promotes the diffusion of surface oxygen vacancies towards the bulk, increasing strongly the conductivity of the film.

Reflectivity (visible and near IR), Moessbauer, static magnetic, and X ray diffraction properties of aluminum-substituted hematites

NASA Technical Reports Server (NTRS)

Morris, Richard V.; Schulze, Darrell G.; Lauer, Howard V., Jr.; Agresti, David G.; Shelfer, Tad D.

1992-01-01

The effect of substituting iron by aluminum in polymorphs of Fe2O3 and FeOOH on their reflectivity characteristics was investigated by comparing data on visible and NIR reflectivities and on static magnetic, XRD, and Moessbauer properties for a family of aluminum-substituted hematites alpha-(Fe,Al)2O3, with compositions where the values of the Al/(Al+Fe) ratio were up to 0.61. Samples were prepared by oxidation of magnetite, dehydroxylation of goethite, and direct precipitation. The analytical methods used for obtaining diffuse reflectivity spectra (350-2200 nm), Moessbauer spectra, and static magnetic data are those described by Morris et al. (1989).

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

Gallegos, N.G.; Alvarez, A.M.; Cagnoli, M.V.

SiO{sub 2} covered with MgO has been used as support of iron catalysts in the Fischer-Tropsch reaction. Catalysts of 5% (w/w) iron concentration and 2, 4, and 8% (w/w) of MgO on SiO{sub 2} were prepared. Selective chemisorption of CO, volumetric oxidation, and Moessbauer spectroscopy were used to characterize the type of iron species and the metallic crystal sizes. MgO covers the SiO{sub 2} surface and modifies the metallic crystal size. The activity to total hydrocarbons increases with the amount of MgO added. An optimal concentration of about 4% (w/w) was found to have the highest selectivity to olefins. 45more » refs., 13 figs., 3 tabs.« less

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

Cagnoli, M.V.; Marchetti, S.G.; Gallegos, N.G.

In order to study the influence of the support on high dispersion catalysts used for the CO hydrogenation reaction, two catalysts, Fe/SiO{sub 2} and Fe/Al{sub 2}O{sub 3}, were prepared by the dry impregnation method. Selective chemisorption of CO, volumetric oxidation, and Moessbauer spectroscopy were used to determine the Fe species present as well as the metallic crystal size, the degree of dispersion, and the reduction percentage. The presence of small Fe{sup 0} crystallites with high dispersion was determined in both catalysts. Reaction rates were measured in a differential reactor and significant differences, about one order of magnitude less for themore » Al{sub 2}O{sub 3} than for the SiO{sub 2} supported catalysts, were found in the methane turnover frequencies. They are attributed to the interaction between the metal and the supports. The selectivity differences is also discussed in connection with distinct surface properties.« less

Effects of Sterilization on the Physico-Chemical Properties of Natural Sediments From the Oak Ridge Reservation

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

Bank, T.L.; Kukkadapu, R.K.; Madden, A.S.

2009-04-29

Batch U(VI) sorption/reduction experiments were completed on sterilized and non-sterilized sediment samples to elucidate biological and geochemical reduction mechanisms. Results from X-ray absorption near-edge structure (XANES) spectroscopy revealed that {gamma}-sterilized sediments were actually better sorbents of U(VI), despite the absence of any measurable biological activity. These results indicate that {gamma}-irradiation induced significant physico-chemical changes in the sediment which is contrary to numerous other studies identifying {gamma}-sterilization as an effective and minimally invasive technique. To identify the extent and method of alteration of the soil as a result of {gamma}-sterilization, untreated soil samples, physically separated size fractions, and chemically extracted fractionsmore » of the soil were analyzed pre- and post-sterilization. The effects of sterilization on mineralogy, pH, natural organic matter (NOM), cation exchange capacity (CEC), and iron oxidation state were determined. Results indicated that major mineralogy of the clay and whole sediment samples was unchanged. Sediment pH decreased only slightly with {gamma}-irradiation; however, irradiation produced a significant decrease in CEC of the untreated sediments and affected both the organic and inorganic fractions. Moessbauer spectra of non-sterile and {gamma}-sterilized sediments measured more reduced iron present in {gamma}-sterilized sediments compared to non-sterile samples. Our results suggest that sterilization by {gamma}-irradiation induced iron reduction that may have increased the sorption and/or reduction of U(VI) onto these sediments. However, Moessbauer and batch sorption data are somewhat contradictory, the former indicates that the iron oxide or iron hydroxide minerals are more significantly reduced while the later indicates that reduced clay minerals account for greater sorption of U(VI).« less

Effects of gamma-sterilization on the physicochemical properties of natural sediments

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

Bank, Tracy L; Madden, Andrew; Baldwin, Mark E

2008-06-01

Batch U(VI) sorption/reduction experiments were completed on sterilized and non-sterilized sediment samples to elucidate biological and geochemical reduction mechanisms. Results from X-ray absorption near-edge structure (XANES) spectroscopy revealed that {gamma}-sterilized sediments were actually better sorbents of U(VI), despite the absence of any measurable biological activity. These results indicate that {gamma}-irradiation induced significant physico-chemical changes in the sediment which is contrary to numerous other studies identifying {gamma}-sterilization as an effective and minimally invasive technique. To identify the extent and method of alteration of the soil as a result of {gamma}-sterilization, untreated soil samples, physically separated size fractions, and chemically extracted fractionsmore » of the soil were analyzed pre- and post-sterilization. The effects of sterilization on mineralogy, pH, natural organic matter (NOM), cation exchange capacity (CEC), and iron oxidation state were determined. Results indicated that major mineralogy of the clay and whole sediment samples was unchanged. Sediment pH decreased only slightly with {gamma}-irradiation; however, irradiation produced a significant decrease in CEC of the untreated sediments and affected both the organic and inorganic fractions. Moessbauer spectra of non-sterile and {gamma}-sterilized sediments measured more reduced iron present in {gamma}-sterilized sediments compared to non-sterile samples. Our results suggest that sterilization by {gamma}-irradiation induced iron reduction that may have increased the sorption and/or reduction of U(VI) onto these sediments. However, Moessbauer and batch sorption data are somewhat contradictory, the former indicates that the iron oxide or iron hydroxide minerals are more significantly reduced while the later indicates that reduced clay minerals account for greater sorption of U(VI).« less

Moessbauer Close-Up

NASA Technical Reports Server (NTRS)

2004-01-01

This close-up image of the Mars Exploration Rover Spirit's instrument deployment device, or 'arm,' shows the donut-shaped plate on the Moessbauer spectrometer. This image makes it easy to recognize the imprint left by the instrument in the martian soil at a location called 'Peak' on sol 43 (February 16, 2004). This image was taken by the rover's panoramic camera on sol 39 (February 11, 2004).

Nanosized iron and chromium oxides supported on mesoporous CeO2 and SBA-15 silica: Physicochemical and catalytic study

NASA Astrophysics Data System (ADS)

Tsoncheva, Tanya; Roggenbuck, Jan; Paneva, Daniela; Dimitrov, Momtchil; Mitov, Ivan; Fröba, Michael

2010-11-01

Mesoporous ceria and SBA-15 silica were modified with iron and chromium oxide nanoparticles and characterized by XRD, N2-physisorption, FTIR, UV-vis, Moessbauer spectroscopy and TPR-TG in hydrogen. Their catalytic behaviour in methanol decomposition to CO and hydrogen was also studied. Stabilization of mono- and bi-chromate species, FeOx patches or isolated iron ions as well as Fe2O3 and Cr2O3 nanoparticles in different ratio depending on the nature of the porous matrix was observed. The simultaneous presence of iron and chromium oxides lead to change in their dispersion, providing easier reducibility, higher catalytic activity and stability of the obtained materials in comparison with the corresponding mono-component ones. The "intimate contact" at the interface of both loaded metal oxide nanoparticles and the support was discussed with respect to explain the differences in the state of the active ingredient and its specific catalytic behaviour.

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

Hu Qiang; Zeng Xierong; Shenzhen Key Laboratory of Special Functional Materials, Shenzhen 518060

This paper reports the observation of the clear Invar effects of (Fe{sub 71.2}B{sub 24}Y{sub 4.8}){sub 96}Nb{sub 4} bulk metallic glass. The Invar effects of (Fe{sub 71.2}B{sub 24}Y{sub 4.8}){sub 96}Nb{sub 4} alloys in different structural states are also investigated in situ through cyclic thermal dilation tests at different cyclic temperatures. The results show that these Invar effects are strengthened in the relaxation amorphous state, weakened in the nanocrystalline state, and absent in the complete crystalline state. X-ray diffraction and Moessbauer spectroscopy demonstrate that the structural influences on Invar effects can be explained by the different local atomic arrangements around Fe atomsmore » in different structural states.« less

Chemostratigraphy and Fe Mineralogy of the Victoria Crater Duck Bay Section: Opportunity APXS and Moessbauer Results

NASA Technical Reports Server (NTRS)

Mittlefehldt, D. W.; Schroeder, C.; Gellert, R.; Klingelhoefer, G.; Jolliff, B. L.; Morris, R. V.

2008-01-01

Meridiani Planum is a vast plain of approximately horizontally bedded sedimentary rocks composed of mixed and reworked basaltic and evaporitic sands containing secondary, diagenetic minerals [e.g., 1-5]. Because bedding planes are subparallel to topography, investigation of contiguous stratigraphy requires examining exposures in impact craters. Early in the mission (sols 130-317), Opportunity was commanded to do detailed study of exposed outcrops in Endurance crater, including the contiguous Karatepe section at the point of ingress. Just over 1000 sols later and roughly 7 km to the south, the rover is being commanded to do a similar study of the Duck Bay section of Victoria crater. Here we report on the preliminary results from the Alpha Particle X-ray Spectrometer (APXS) and Moessbauer instruments.

Martensitic phase transformations in the nanostructured surface layers induced by mechanical attrition treatment

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

Ni Zhichun; Wang Xiaowei; Wu Erdong

2005-12-01

Conversion electron Moessbauer spectroscopy (CEMS) and x-ray diffraction (XRD) analysis have been used to investigate the relationship between characteristics of phase transformation and the treatment time in surface nanocrystallized 316L stainless steel induced by surface mechanical attrition treatment (SMAT). A similar trend of development of the martensitic phase upon the treatment time has been observed from both CEMS and XRD measurements. However, in the CEMS measurement, two types of martensite phase with different magnetic hyperfine fields are revealed. Based on a random distribution of the non-iron coordinating atoms, a three-element theoretical model is developed to illustrate the difference of twomore » types of martensite phase. The calculated results indicate the segregation of the non-iron atoms associated with SMAT treatment.« less

A Comparison of Multivariate and Pre-Processing Methods for Quantitative Laser-Induced Breakdown Spectroscopy of Geologic Samples

NASA Technical Reports Server (NTRS)

Anderson, R. B.; Morris, R. V.; Clegg, S. M.; Bell, J. F., III; Humphries, S. D.; Wiens, R. C.

2011-01-01

The ChemCam instrument selected for the Curiosity rover is capable of remote laser-induced breakdown spectroscopy (LIBS).[1] We used a remote LIBS instrument similar to ChemCam to analyze 197 geologic slab samples and 32 pressed-powder geostandards. The slab samples are well-characterized and have been used to validate the calibration of previous instruments on Mars missions, including CRISM [2], OMEGA [3], the MER Pancam [4], Mini-TES [5], and Moessbauer [6] instruments and the Phoenix SSI [7]. The resulting dataset was used to compare multivariate methods for quantitative LIBS and to determine the effect of grain size on calculations. Three multivariate methods - partial least squares (PLS), multilayer perceptron artificial neural networks (MLP ANNs) and cascade correlation (CC) ANNs - were used to generate models and extract the quantitative composition of unknown samples. PLS can be used to predict one element (PLS1) or multiple elements (PLS2) at a time, as can the neural network methods. Although MLP and CC ANNs were successful in some cases, PLS generally produced the most accurate and precise results.

Modification of local order in FePd films by low energy He{sup +} irradiation

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

Merkel, D. G.; Tancziko, F.; Sajti, Sz.

2008-07-01

Owing to their strong perpendicular magnetic anisotropy, FePd, CoPd, and their Co(Fe)Pt counterparts are candidate materials for ultrahigh density magnetic recording. The stability and magnetic properties of such films are largely dependent on the orientation and local distribution of the L1{sub 0} FePd phase fraction. Therefore, the formation and transformation of the L1{sub 0} phase in such thin films have been the subject of continued interest. Highly ordered epitaxial FePd(001) thin films (with an L1{sub 0} phase fraction of 0.81) were prepared by molecular-beam epitaxy on a MgO(001) substrate. The effect of postgrown room temperature, 130 keV He{sup +} irradiationmore » was investigated at fluences up to 14.9x10{sup 15} ions/cm{sup 2}. X-ray diffraction and conversion electron Moessbauer spectroscopy revealed that with increasing fluence, the L1{sub 0} FePd phase decomposes into the face centered cubic phase with random Fe and Pd occupation of the sites. A partially ordered local environment exhibiting a large hyperfine magnetic field also develops. Upon He{sup +} irradiation, the lattice parameter c of the FePd L1{sub 0} structure increases and the long range order parameter S steeply decreases. The Fe-Fe nearest-neighbor coordination in the Fe-containing environments increases on average from Fe{sub 47}Pd{sub 53} to Fe{sub 54}Pd{sub 46}, indicating a tendency of formation iron-rich clusters. The equilibrium parameters corresponding to the equiatomic L1{sub 0} phase were found at different fluences by conversion electron Moessbauer spectroscopy and by x-ray diffraction a difference, from which a plane-perpendicular compressive stress and a corresponding in-plane tensile stress are conjectured. The steep increase in the interface roughness above 7.4x10{sup 15} ions/cm{sup 2} is interpreted as a percolation-type behavior related to the high diffusion anisotropy in the L1{sub 0} phase.« less

Moessbauer and Electron Microprobe Studies of Density Separates of Martian Nakhlite Mil03346: Implications for Interpretation of Moessbauer Spectra Acquired by the Mars Exploration Rovers

NASA Technical Reports Server (NTRS)

Morris, R. V.; McKay, G. A.; Agresti, D. G.; Li, Loan

2008-01-01

Martian meteorite MIL03346 is described as an augite-rich cumulate rock with approx.80%, approx.3%, and approx.21% modal phase proportions of augite (CPX), olivine and glassy mesostasis, respectively, and is classified as a nakhlite [1]. The Mossbauer spectrum for whole rock (WR) MIL 03346 is unusual for Martian meteorites in that it has a distinct magnetite subspectrum (7% subspectral area) [2]. The meteorite also has products of pre-terrestrial aqueous alteration ("iddingsite") that is associated primarily with the basaltic glass and olivine. The Mossbauer spectrometers on the Mars Exploration Rovers have measured the Fe oxidation state and the Fe mineralogical composition of rocks and soils on the planet s surface since their landing in Gusev Crater and Meridiani Planum in January, 2004 [3,4]. The MIL 03346 meteorite provides an opportunity to "ground truth" or refine Fe phase identifications. This is particularly the case for the so-called "nanophase ferric oxide" (npOx) component. NpOx is a generic name for a ferric rich product of oxidative alteration. On Earth, where we can take samples apart and study individual phases, examples of npOx include ferrihydrite, schwertmannite, akagaaneite, and superparamagnetic (small particle) goethite and hematite. It is also possible for ferric iron to be associated to some unknown extent with igneous phases like pyroxene. We report here an electron microprobe (EMPA) and Moessbauer (MB) study of density separates of MIL 03346. The same separates were used for isotopic studies by [5]. Experimental techniques are described by [6,7].

Moessbauer spectra of olivine-rich achondrites - Evidence for preterrestrial redox reactions

NASA Technical Reports Server (NTRS)

Burns, R. G.; Martinez, S. L.

1991-01-01

Moessbauer spectral measurements at 4.2 K were made on several ureilites and the two shergottites found in Antarctica, as well as two ureilite falls, three SNC meteorite falls, and two finds in order to distinguish products of preterrestrial redox reactions from phases formed during oxidative weathering on the earth. The spectra indicated that several ureilites contain major proportions of metallic iron, much of which resulted from preterrestrial carbon-induced reduction of ferrous iron in the outermost 10-100 microns of olivine grains in contact with carbonaceous material in the ureilites. The cryptocrystalline nature of these Fe inclusions in olivine renders the metal extremely vulnerable to aerial oxidation, even in ureilites collected as falls. It is inferred that the nanophase ferric oxides or oxyhydroxides identified in Brachina and Lafayette were produced by terrestrial weather of olivines before the meteorites were found. The absence of goethite in two olivine-bearing Antarctic shergottites suggests that the 2 percent ferric iron determined in their Moessbauer spectra also originated from oxidation on Mars.

Spectral chemistry of green glass-bearing 15426 regolith

NASA Technical Reports Server (NTRS)

Burns, R. G.; Dyar, M. D.

1983-01-01

The detection of appreciable concentrations of ferric iron in a synthetic green glass equilibrated at an oxygen fugacity of 10 to the -11th atm prompted a Moessbauer spectral study of pristine emerald-green glass spherules carefully handpicked from regolith sample 15426. No Fe(3+) ions were detected in this lunar sample or in a synthetic green glass simulant equilibrated at fO2 = 10 to the -14th atm, suggesting that the green glass clods in rock 15426 formed under conditions of correspondingly low oxygen fugacities. The Moessbauer spectra indicated the presence of olivine crystallites in the lunar emerald green glass spherules. Measurements of homogeneous and partially devitrified synthetic silicate glasses revealed that significant changes of coordination environment about Fe(2+) ions in the glass structure occur during crystallization of olivine crystals from the melt.

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

McCammon, C.; Dubrovinsky, L.; Narygina, O.

We investigated the spin state of iron in Mg{sub 0.82}Fe{sub 0.18}SiO{sub 3} silicate perovskite using Moessbauer spectroscopy and nuclear forward scattering (NFS) at pressures up to 130 GPa and temperatures up to 1000 K. Majorite starting material was loaded into diamond anvil cells in three separate experiments, and transformed to silicate perovskite through laser heating. We found, in agreement with previous work, the predominance of a component with high isomer shift ({approx}1 mm/s relative to {alpha}-Fe) and high-quadrupole splitting (QS) (>4 mm/s) in Moessbauer and NFS spectra up to 115 GPa at room temperature, and in accordance with previous workmore » this component was assigned to intermediate-spin Fe{sup 2+}. At higher pressures, the intensity of the high QS component in the silicate perovskite spectrum decreased, while the intensity of a new component with low isomer shift ({approx}0 mm/s relative to {alpha}-Fe) and low quadrupole splitting (<0.5 mm/s) increased. This new component was assigned to low-spin Fe{sup 2+}, and its intensity increased with both increasing pressure and increasing temperature: at 120 GPa and 1000 K all Fe{sup 2+} was in the low-spin state. X-ray diffraction data showed well crystallized perovskite in all runs, and although the stable phase above 110 GPa is expected to be post-perovskite, sluggish transition kinetics likely preserved the perovskite phase in a metastable state. Our results combined with data in the literature and thermodynamic and topological considerations suggest that there may be a region where silicate perovskite containing low-spin Fe{sup 2+} is stable, which coincides with predicted pressure-temperature conditions near the D{double_prime} layer.« less

Local ordering and magnetism in Ga{sub 0.9}Fe{sub 3.1}N

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

Burghaus, Jens; Sougrati, Moulay T., E-mail: moulay-tahar.sougrati@univ-montp2.fr; Moechel, Anne

Prior investigations of the ternary nitride series Ga{sub 1-x}Fe{sub 3+x}N (0{<=}x{<=}1) have indicated a transition from ferromagnetic {gamma}'-Fe{sub 4}N to antiferromagnetic 'GaFe{sub 3}N'. The ternary nitride 'GaFe{sub 3}N' has been magnetically and spectroscopically reinvestigated in order to explore the weakening of the ferromagnetic interactions through the gradual incorporation of gallium into {gamma}'-Fe{sub 4}N. A hysteretic loop at RT reveals the presence of a minority phase of only 0.1-0.2 at%, in accord with the sound two-step synthesis. The composition of the gallium-richest phase 'GaFe{sub 3}N' was clarified by Prompt Gamma-ray Activation Analysis and leads to the berthollide formula Ga{sub 0.91(1)}Fe{sub 3.09(10)}N{submore » 1.05(7)}. Magnetic measurements indicate a transition around 8 K, further supported by Moessbauer spectral data. The weakening of the ferromagnetic coupling through an increasing gallium concentration is explained by a simple Stoner argument. In Ga{sub 0.9}Fe{sub 3.1}N, the presence of iron on the gallium site affects the magnetism by the formation of 13-atom iron clusters. - Graphical Abstract: The crystal structure of GaFe{sub 3}N with green nitrogen atoms in the very center, red iron atoms at the face centers, and gray gallium atoms at the corner positions. Highlights: > Almost phase-pure synthesis of Ga{sub 0.9}Fe{sub 3.1}N. > Prompt gamma-ray activation analysis yields precise composition. > Magnetic ordering of the facial Fe atoms at the lowest temperatures. > Moessbauer spectroscopy suggests percolation or RKKY-type interaction. > Fe{sub 13} clusters due to berthollide character.« less

Moessbauer Spectroscopy of Martian and Sverrefjell Carbonates

NASA Technical Reports Server (NTRS)

Agresti, David G.; Morris, Richard V.

2011-01-01

Mars, in its putative "warmer, wetter: early history, could have had a CO2 atmosphere much denser than its current value of <10 mbar. The question of where all this early CO2 has gone has long been debated. Now, several instruments on Mars Exploration Rover (MER) Spirit, including its Moessbauer spectrometer MIMOS II, have identified Mg-Fe carbonate in rock outcrops at Comanche Spur in the Columbia Hills of Gusev Crater. With this finding, carbonate cements in volcanic breccia collected on Sverrefjell Volcano on Spitzbergen Island in the Svalbard Archipelago (Norway) during the AMASE project are mineralogical and possible process analogues of the newly discovered martian carbonate. We report further analyses of Mossbauer spectra from Comanche Spur and discuss their relationship to Mossbauer data acquired on Sverrefjell carbonates. The spectra were velocity calibrated with MERView and fit using MERFit. Instead of the "average temperature" Comanche spectrum (data from all temperature windows summed), we refit the Comanche data for QS within each temperature window, modeling as doublets for Fe2+(carbonate), Fe2+(olivine), and Fe3+(npOx). The temperature dependences of QS for the Comanche carbonate and for a low-Ca carbonate from Chocolate Pots in Yellowstone National Park (YNP) are shown; they are the same within error. For Comanche carbonate summed over 210-270 K, (CS, QS) = (1.23, 1.95) mm/s. The value of QS for Sverrefjell carbonate at 295 K, (CS, QS) = (1.25, 1.87) mm/s, is also plotted, and the plot shows that the QS for the Sverrefjell carbonate agrees within error with the Comanche data extrapolated to 295 K. This agreement is additional evidence that the Sverrefjell carbonates are Mossbauer analogues for the Comanche carbonates, and that both carbonates might have precipitated from solutions that became carbonate rich by passing through buried carbonate deposits.

Radiation detector

DOEpatents

Fultz, B.T.

1980-12-05

Apparatus is provided for detecting radiation such as gamma rays and x-rays generated in backscatter Moessbauer effect spectroscopy and x-ray spectrometry, which has a large window for detecting radiation emanating over a wide solid angle from a specimen and which generates substantially the same output pulse height for monoenergetic radiation that passes through any portion of the detection chamber. The apparatus includes a substantially toroidal chamber with conductive walls forming a cathode, and a wire anode extending in a circle within the chamber with the anode lying closer to the inner side of the toroid which has the least diameter than to the outer side. The placement of the anode produces an electric field, in a region close to the anode, which has substantially the same gradient in all directions extending radially from the anode, so that the number of avalanche electrons generated by ionizing radiation is independent of the path of the radiation through the chamber.

Magnetic phase composition of strontium titanate implanted with iron ions

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

Dulov, E.N., E-mail: evgeny.dulov@ksu.ru; Ivoilov, N.G.; Strebkov, O.A.

2011-12-15

Highlights: Black-Right-Pointing-Pointer The origin of RT-ferromagnetism in iron implanted strontium titanate. Black-Right-Pointing-Pointer Metallic iron nanoclusters form during implantation and define magnetic behaviour. Black-Right-Pointing-Pointer Paramagnetic at room temperature iron-substituted strontium titanate identified. -- Abstract: Thin magnetic films were synthesized by means of implantation of iron ions into single-crystalline (1 0 0) substrates of strontium titanate. Depth-selective conversion electron Moessbauer spectroscopy (DCEMS) indicates that origin of the samples magnetism is {alpha}-Fe nanoparticles. Iron-substituted strontium titanate was also identified but with paramagnetic behaviour at room temperature. Surface magneto-optical Kerr effect (SMOKE) confirms that the films reveal superparamagnetism (the low-fluence sample) or ferromagnetism (themore » high-fluence sample), and demonstrate absence of magnetic in-plane anisotropy. These findings highlight iron implanted strontium titanate as a promising candidate for composite multiferroic material and also for gas sensing applications.« less

Biomedical research applications of electromagnetically separated enriched stable isotopes

NASA Astrophysics Data System (ADS)

Lambrecht, R. M.

The current and projected annual requirements through 1985 for stable isotopes enriched by electromagnetic separation methods were reviewed for applications in various types of biomedical research: (1) medical radiosiotope production, labeled compounds, and potential radio-pharmaceuticals; (2) nutrition, food science, and pharmacology: (3) metallobiochemistry and environmental toxicology; (4) nuclear magnetic resonance, electron paramagnetic resonance, and moessbauer spectroscopy in biochemical, biophysical, and biomedical research; and (5) miscellaneous advances in radioactive and nonradioactive tracer technology. Radioisotopes available from commercial sources or routinely used in clinical nuclear medicine were excluded. Current requirements for enriched stable isotopes in biomedical research are not being satisfied. Severe shortages exist for Mg 26, Ca 43, Zn 70, Se 76, Se 77, Se 78, Pd 102, Cd 111, Cd 113, and Os 190. Many interesting and potentially important investigations in biomedical research require small quantities of specific elements at high isotopic enrichments.

Map of Moessbauer Placement

NASA Technical Reports Server (NTRS)

2004-01-01

This elevation map of a soil target called 'Peak' was created from images taken by the microscopic imager located on the Mars Exploration Rover Spirit's instrument deployment device or 'arm.' The image reveals the various high and low points of this spot of soil after the Moessbauer spectrometer, another instrument on the rover's arm, was gently placed down on it. The blue areas are farthest away from the instrument; the red areas are closest. The variation in distance between blue and red areas is only 2 millimeters, or .08 of an inch. The images were acquired on sol 39 (February 11, 2004).

Physics Division annual review, 1 April 1980-31 March 1981

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

Not Available

1982-06-01

Progress in nuclear physics research is reported in the following areas: medium-energy physics (pion reaction mechanisms, high-resolution studies and nuclear structure, and two-nucleon physics with pions and electrons); heavy-ion research at the tandem and superconducting linear accelerator (resonant structure in heavy-ion reactions, fusion cross sections, high angular momentum states in nuclei, and reaction mechanisms and distributions of reaction strengths); charged-particle research; neutron and photonuclear physics; theoretical physics (heavy-ion direct-reaction theory, nuclear shell theory and nuclear structure, nuclear matter and nuclear forces, intermediate-energy physics, microscopic calculations of high-energy collisions of heavy ions, and light ion direct reactions); the superconducting linac; acceleratormore » operations; and GeV electron linac. Progress in atomic and molecular physics research is reported in the following areas: dissociation and other interactions of energetic molecular ions in solid and gaseous targets, beam-foil research and collision dynamics of heavy ions, photoionization- photoelectron research, high-resolution laser rf spectroscopy with atomic and molecular beams, moessbauer effect research, and theoretical atomic physics. Studies on interactions of energetic particles with solids are also described. Publications are listed. (WHK)« less

Moessbauer spectrometer based on UNO-4096-90 accumulator and Elektronika D3-28 microcomputer for simultaneous recording of four spectra

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

Romanov, E.S.; Ivoilov, N.G.

A buffer memory unit and an interface for the UNO-4096-90 accumulator with an Elektronika D3-28 microcomputer are described that allow simultaneous recording of four Moessbauer spectra with zero dead time. For complete elimination of dead time, the pulses from each detector are fed to two buffer counters units, which operate alternately in the write and interrogate modes. This organization of the buffer memory also completely eliminates the effect of the sensors on one another. The use of these circuits does not require any modifications of the computer or accumulator.

Moessbauer Characterization of Magnetite/Polyaniline Magnetic Nanocomposite

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

Rodriguez, Anselmo F. R.; Faria, Fernando S. E. D. V.; Lopez, Jorge L.

2010-12-02

Aniline surface coated Fe{sub 3}O{sub 4} nanoparticles have been successfully synthesized by UV irradiation varying the time and the acid media (HCl, HNO{sub 3}, or H{sub 2}SO{sub 4}). The synthesized material represents a promising platform for application in nerve regeneration. XRD patterns are consistent with the crystalline structure of magnetite. Nevertheless, for UV irradiation times longer than 2 h, extra XRD lines reveal the presence of goethite. The mean crystallite size of uncoated particles is estimated to be 25.4 nm, meanwhile that size is reduced to 19.9 nm for the UV irradiated sample in HCl medium for 4 h. Moessbauermore » spectra of uncoated nanoparticles reveal the occurrence of thermal relaxation at room temperature, while the 77 K-Moessbauer spectrum suggests the occurrence of electron localization effects similar to that expected in bulk magnetite. The Mossbauer spectra of UV irradiated sample in HCl medium during 4 h, confirms the presence of the goethite phase. For this sample, the thermal relaxation is more evident, since the room temperature spectrum shows larger spectral area for the nonmagnetic component due to the smaller crystallite size. Meanwhile, the 77 K-Moessbauer spectrum suggests the absence of the electron localization effect above 77 K.« less

An East to West Mineralogical Trend in Mars Exploration Rover Spirit Moessbauer Spectra of Home Plate

NASA Technical Reports Server (NTRS)

Schroder, C.; Di, K.; Morris, R. V.; Klingelhofer, G.; Li, R.

2008-01-01

Home Plate is a light-toned plateau approx.90 m in diameter within the Inner Basin of the Columbia Hills in Gusev crater on Mars. It is the most extensive exposure of layered bedrock encountered by Spirit to date, and it is composed of clastic rocks of moderately altered alkali basalt composition, enriched in some highly volatile elements. Textural observations suggest an explosive origin and geochemical observations favor volcanism, probably a hydrovolcanic explosion [1]. Since it first arrived at Home Plate on sol 744, Spirit has circumnavigated the plateau (Fig. 1) and is now, since sol 1410, resting at its Winter Haven 3 location at the north end of Home Plate. Results: The MER Moessbauer spectrometers determine Fe oxidation states, identify Fe-bearing mineral phases and quantify the distribution of Fe among oxidation states and mineral phases [2]. Moessbauer spectra of Home Plate bedrock were obtained in five different locations from nine different targets (Fig. 1): Barnhill Ace, Posey Manager, and James Cool Papa Bell Stars at the northwest side of Home Plate; Pesapallo, June Emerson, and Elizabeth Emery on the east side; Texas Chili on the south side; Pecan Pie on the west side; and Chanute on the north side.

Moessbauer spectra of ferrite catalysts used in oxidative dehydrogenation

NASA Technical Reports Server (NTRS)

Cares, W. R.; Hightower, J. W.

1971-01-01

Room temperature Mossbauer spectroscopy was used to examine bulk changes which occur in low surface area CoFe2O4 and CuFe2O4 catalysts as a result of contact with various mixtures of trans-2-butene and O2 during oxidative dehydrogenation reactions at about 420 C. So long as there was at least some O2 in the gas phase, the CoFe2O4 spectrum was essentially unchanged. However, the spectrum changed from a random spinel in the oxidized state to an inverse spinel as it was reduced by oxide ion removal. The steady state catalyst lies very near the fully oxidized state. More dramatic solid state changes occurred as the CuFe2O4 underwent reduction. Under severe reduction, the ferrite was transformed into Cu and Fe3O4, but it could be reversibly recovered by oxidation. An intense doublet located near zero velocity persisted in all spectra of CuFe2O4 regardless of the state of reduction.

Effect of substitutions and defects in half-Heusler FeVSb studied by electron transport measurements and KKR-CPA electronic structure calculations

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

Jodin, L.; Tobola, J.; Pecheur, P.

2004-11-01

The structural and electron transport properties of the pure and Co-, Ti-, and Zr-substituted FeVSb half-Heusler phases have been investigated using x-ray diffraction, Moessbauer spectroscopy, and Electron Probe Microscopy Analysis as well as resistivity, thermopower, and Hall effect measurements in the 80-900 K temperature range. In a parallel study, the electronic structures of FeVSb and the aforementioned alloys were calculated using the Korringa-Kohn-Rostoker method with the coherent potential approximation (KKR-CPA) in the LDA framework. The electronic densities of states and dispersion curves were obtained. The crystal structure stability and site preference analysis were addressed using total energy computations. Most ofmore » these experimental results correspond to electronic structure computations only if they take into account extra crystal defects such as antisite defects or vacancies present to various extents in the samples. Indeed a remarkable variation of KKR-CPA density of states occurring both in FeVSb and FeV{sub 1-x}Zr{sub x}Sb including defects may explain why FeVSb is not fully semiconducting as well as why there is a change of the thermopower sign in the FeV{sub 1-x}Zr{sub x}Sb versus x content.« less

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

Shenoy, G. K.; Rohlsberger, R.; X-Ray Science Division

From the beginning of its discovery the Moessbauer effect has continued to be one of the most powerful tools with broad applications in diverse areas of science and technology. With the advent of synchrotron radiation sources such as the Advanced Photon Source (APS), the European Synchrotron Radiation Facility (ESRF) and the Super Photon Ring-8 (SPring-8), the tool has enlarged its scope and delivered new capabilities. The popular techniques most generally used in the field of materials physics, chemical physics, geoscience, and biology are hyperfine spectroscopy via elastic nuclear forward scattering (NFS), vibrational spectroscopy via nuclear inelastic scattering (NRIXS), and, tomore » a lesser extent, diffusional dynamics from quasielastic nuclear forward scattering (QNFS). As we look ahead, new storage rings with enhanced brilliance such as PETRA-III under construction at DESY, Hamburg, and PEP-III in its early design stage at SLAC, Stanford, will provide new and unique science opportunities. In the next two decades, x-ray free-electron lasers (XFELs), based both on self-amplified spontaneous emission (SASE-XFELs) and a seed (SXFELs), with unique time structure, coherence and a five to six orders higher average brilliance will truly revolutionize nuclear resonance applications in a major way. This overview is intended to briefly address the unique radiation characteristics of new sources on the horizon and to provide a glimpse of scientific prospects and dreams in the nuclear resonance field from the new radiation sources. We anticipate an expanded nuclear resonance research activity with applications such as spin and phonon mapping of a single nanostructure and their assemblies, interfaces, and surfaces; spin dynamics; nonequilibrium dynamics; photochemical reactions; excited-state spectroscopy; and nonlinear phenomena.« less

Structural properties of ultrafine Ba-hexaferrite nanoparticles

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

Makovec, Darko, E-mail: Darko.Makovec@ijs.si; Primc, Darinka; Sturm, Saso

2012-12-15

Crystal structure of ultrafine Ba-hexaferrite (BaFe{sub 12}O{sub 19}) nanoparticles was studied using X-ray diffractometry (XRD), high-resolution transmission electron microscopy (HRTEM), energy-dispersive X-ray spectroscopy (EDXS), X-ray absorption fine structure (XAFS), and Moessbauer spectroscopy (MS), to be compared to the structure of larger nanoparticles and the bulk. The nanoparticles were synthesized with hydrothermal treatment of an appropriate suspension of Ba and Fe hydroxides in the presence of a large excess of OH{sup -}. The ultrafine nanoparticles were formed in a discoid shape, {approx}10 nm wide and only {approx}3 nm thick, comparable to the size of the hexagonal unit cell in the c-direction.more » The HRTEM image analysis confirmed the hexaferrite structure, whereas EDXS showed the composition matching the BaFe{sub 12}O{sub 19} formula. XAFS and MS analyses showed considerable disorder of the structure, most probably responsible for the low magnetization. - Graphical abstract: Left: HREM image of an ultrafine Ba-hexaferrite nanoparticle (inset: TEM image of the nanoparticles); Right: the experimental HRTEM image is compared with calculated image and corresponding atomic model. Highlights: Black-Right-Pointing-Pointer Crystal structure of ultrafine Ba-hexaferrite (BaFe{sub 12}O{sub 19}) nanoparticles was compared to the structure of the bulk. Black-Right-Pointing-Pointer Thickness the discoid nanoparticles was comparable to the size of the hexagonal unit cell in the c-direction. Black-Right-Pointing-Pointer Considerable disorder of the nanoparticles' structure is most probably responsible for their low magnetization.« less

Innovative instrumentation for mineralogical and elemental analyses of solid extraterrestrial surfaces: The Backscatter Moessbauer Spectrometer/X Ray Fluorescence analyzer (BaMS/XRF)

NASA Technical Reports Server (NTRS)

Shelfer, T. D.; Morris, Richard V.; Nguyen, T.; Agresti, D. G.; Wills, E. L.

1994-01-01

We have developed a four-detector research-grade backscatter Moessbauer spectrometer (BaMS) instrument with low resolution x-ray fluorescence analysis (XRF) capability. A flight-qualified instrument based on this design would be suitable for use on missions to the surfaces of solid solar-system objects (Moon, Mars, asteroids, etc.). Target specifications for the flight instrument are as follows: mass less than 500 g; volumes less than 300 cu cm; and power less than 2 W. The BaMS/XRF instrument would provide data on the oxidation state of iron and its distribution among iron-bearing mineralogies and elemental composition information. This data is a primary concern for the characterization of extraterrestrial surface materials.

Mineralogy, chemical composition, and microstructure of ferrospheres in fly ashes from coal combustion

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

Yongchun Zhao; Junying Zhang; Junmin Sun

2006-08-15

Fourteen samples of coal and ferrospheres, which were recovered by dry magnetic separation from fly ashes, were collected from five power plants in China. The mineralogy, chemical composition, and microstructure of ferrospheres in fly ashes have been studied by optical microscopy, X-ray diffraction (XRD), Moessbauer spectroscopy, and field emission scanning electron microscopy equipped with energy-dispersive X-ray spectroscopy (FSEM-EDX). Iron in ferrospheres mainly occurs as Fe{sub 3}O{sub 4}, {alpha}Fe{sub 2}O{sub 3}, {gamma}Fe{sub 2}O{sub 3}, MgFe{sub 2}O{sub 4}, and Fe{sup 3+}-glass, ferrian spinel, and so on. On the basis of iron content, the ferrospheres in fly ashes are classified into four groups,more » namely ferrooxides, aluminosilicate-bearing ferrooxides, high-ferriferous aluminosilicates, and ferroaluminosilicates . Ferrooxides are derived from the oxidation of iron-bearing minerals, whereas aluminosilicate-bearing ferrooxides, high-ferriferous aluminosilicates, and ferroaluminosilicates are formed by the fusion of different proportions of inherent iron-bearing minerals and clay minerals. According to their microstructure, the ferrospheres in fly ashes are classified into seven groups, namely sheet ferrospheres, dendritic ferrospheres, granular ferrospheres, smooth ferrospheres, ferroplerospheres, porous ferrospheres, and molten drop ferrospheres. Sheet ferrospheres are derived from the oxidation of iron-bearing minerals immediately; smooth ferrospheres, molten drop ferrospheres, ferroplerospheres, and porous ferrospheres are the complex eutectic of inherent iron-bearing minerals and clay minerals; dendritic ferrospheres and granular ferrospheres are formed by the conglutination after the oxidation of iron-bearing minerals. Ferrooxides and aluminosilicate-bearing ferrooxides are important sources of the initial layer that occurs in deposits formed in coal-burning systems. 78 refs., 11 figs., 4 tabs.« less

On the fine structure of meteoritical taenite/tetrataenite and its interpretation

NASA Astrophysics Data System (ADS)

Albertsen, J. F.; Nielsen, H. P.; Buchwald, V. F.

1983-04-01

TEM, electron microprobe, and Moessbauer spectroscopy are used in investigating taenite fields from several meteorites. A delicate pattern of antiphase domains is revealed in the tetrataenite, as is the presence of low-Ni taenite at the antiphase boundaries in what was hitherto believed to be pure tetrataenite. The observations suggest that the 'cloudy taenite' (cloudy zone II) was formed by a magnetically induced spinodal decomposition of the metastable taenite during slow cooling below 400 C. It is thought likely that decompositin occurs when the Curie temperature of the alloy changes rapidly with composition, as it does in f.c.c. iron-nickel alloys containing approximately 28-43 percent Ni (wt pct). The large contribution to Gibbs free energy from magnetic ordering leads to inflections in the Gibbs free energy curve, making the alloy unstable with regard to decomposition, in this case into a magnetically and atomically ordered Ni-rich alloy plus a magnetically and atomically disordered Ni-poor alloy. The model accounts well for the structure and composition of the two phases in the cloudy taenite.

Fe-Bearing Phases Identified by the Moessbauer Spectrometers on the Mars Exploration Rovers: An Overview

NASA Technical Reports Server (NTRS)

Morris, R. V.; Klingelhoefer, G.; Rodionov, D.; Yen, A.; Gellert, R.

2006-01-01

The twin Mars Exploration Rovers Spirit and Opportunity have explored the martian surface at Gusev Crater (GC) and Meridiani Planum (MP), respectively, for about two Earth years. The Moessbauer (MB) spectrometers on both rovers have analyzed an aggregate of 200 surface targets and have returned to Earth information on the oxidation state of iron, the mineralogical composition of Febearing phases, and the distribution of Fe among oxidation states and phases at the two landing sites [1-7]. To date, 15 component subspectra (10 doublets and 5 sextets) have been identified and most have been assigned to mineralogical compositions. Two subspectra are assigned to phases (jarosite and goethite) that are marker minerals for aqueous processes because they contain hydroxide anion in their structures. In this paper, we give an overview of the Febearing phases identified and their distributions at Gusev crater and Meridiani Planum.

Fe-Bearing Phases Indentified by the Moessbauer Spectrometers on the Mars Exploration Rovers: An Overview

NASA Technical Reports Server (NTRS)

Morris, R. V.; Klingelhoefer, G.; Ming, D. W.; Schroeder, C.; Rodionov, D.; Yen, A.; Gellert, R.

2006-01-01

The twin Mars Exploration Rovers Spirit and Opportunity have explored the martian surface at Gusev Crater (GC) and Meridiani Planum (MP), respectively, for about two Earth years. The Moessbauer (MB) spectrometers on both rovers have analyzed an aggregate of approx.200 surface targets and have returned to Earth information on the oxidation state of iron, the mineralogical composition of Fe-bearing phases, and the distribution of Fe among oxidation states and phases at the two landing sites [1-7]. To date, 15 component subspectra (10 doublets and 5 sextets) have been identified and most have been assigned to mineralogical compositions. Two subspectra are assigned to phases (jarosite and goethite) that are marker minerals for aqueous processes because they contain hydroxide anion in their structures. In this paper, we give an overview of the Febearing phases identified and their distributions at Gusev crater and Meridiani Planum.

Moessbauer studies in Zn(2+)0.3 Mn(2+)0.7 Mn(3+) (2-y) Fe(3+) (2-y) O4

NASA Technical Reports Server (NTRS)

Gupta, R. G.; Mendiratta, R. G.; Escue, W. T.

1975-01-01

The Mossbauer effect has proven to be effective in the study of nuclear hyperfine interactions. Ferrite systems having the formula (Zn(2+)0.3)(Mn(2+)0.7)(Mn(3+)y)(Fe(3+)2-y)(O4) were prepared and studied. These systems can be interpreted as mangacese-doped zinc and a part of iron ions. A systematic study of these systems is presented to promote an understanding of their microstructure for which various theories were proposed.

Mineralogical and Geochemical Analyses of Antarctic Lake Sediments: A Reflectance and Moessbauer Spectroscopy Study with Applications for Remote Sensing on Mars

NASA Technical Reports Server (NTRS)

Froeschl, Heinz; Lougear, Andre; Trautwein, Alfred X.; Newton, Jason; Doran, Peter T.; Koerner, Wilfried; Koeberl, Christian; Bishop, Janice (Technical Monitor); DeVincenzi, Donald L. (Technical Monitor)

2000-01-01

Lakebottom sediments from the Dry Valleys region of Antarctica have been analyzed here in order to study the influence of water chemistry on the mineralogy and geochemistry of these sediments, as well as to evaluate techniques for remote spectral identification of potential biomarker minerals on Mars. Lakes from the Dry Valleys region of Antarctica have been investigated as possible analogs for extinct lake environments on early Mars. Sediment cores were collected in the present study from perennially ice-covered Lake Hoare in the Taylor Valley. These sediments were taken from a core in an oxic region of the lake and another core in an anoxic zone. Differences between the two cores were observed in the sediment color, Fe(II)/Fe(III) ratio, the presence of pyrite, the abundance of Fe, S and some trace elements, and the C, N and S isotope fractionation patterns. The results of visible-infrared reflectance spectroscopy (0.3-25 microns) Mossbauer spectroscopy (77 and 4 K) and X-ray diffraction are combined to determine the mineralogy and composition of these samples. The sediments are dominated by plagioclase, K-feldspar, quartz and pyroxene. Algal mats grow on the bottom of the lake and organic material has been found throughout the cores. Calcite is abundant in some layers of the aerobic core (shallow region) and pyrite is abundant in some layers of the anaerobic core (deep region). Analysis of the spectroscopic features due to organics and carbonates with respect to the abundance of organic C and carbonate contents was performed in order to select optimal spectral bands for remote identification of these components in planetary regoliths. Carbonate bands near 4 and 6.8 microns (approx.2500 and 1500/cm) were detected for carbonate abundances as low as 0.1 wt.% CO2. Organic features at 3.38, 3.42 and 3.51 microns (2960, 2925 and 2850/cm) were detected for organic C abundances as low as 0.06 wt.% C. The d13C trends show a more complex organic history for the anaerobic sediments than for the aerobic sediments. The biogenic pyrite found in the anaerobic core is associated with lighter d34S values and high organic C levels and could be used as a biomarker mineral for paleolakes on Mars.

Topotactic redox chemistry of NaFeAs in water and air and superconducting behavior with stoichiometry change.

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

Todorov, I.; Chung, D. Y.; Claus, H.

2010-07-13

We report experimental evidence that shows superconductivity in NaFeAs occurs when it is Na deficient. The oxidation of NaFeAs progresses differently in water and in air. In water the material oxidizes slowly and slightly retaining the original anti-PbFCl structure. In air NaFeAs oxidizes topotactically quickly and extensively transforming to the ThCr{sub 2}Si{sub 2} structure type. Water acts as a mild oxidizing agent on the FeAs layer by extracting electrons and Na{sup +} cations from the structure, while oxidation in air is more extensive and leads to change in structure type from NaFeAs to NaFe{sub 2}As{sub 2}. The superconducting transition temperaturemore » moves dramatically during the oxidation process. Exposed to water for an extended time period NaFeAs shows a substantial increase in T{sub c} up to 25 K with contraction of unit cell volume. NaFe{sub 2}As{sub 2}, the air oxidized product, shows T{sub c} of 12 K. We report detailed characterization of the redox chemistry and transformation of NaFeAs in water and air using single crystal and powder X-ray diffraction, magnetization studies, transmission electron microscopy, Moessbauer spectroscopy, pOH and elemental analysis.« less

Mineralogy at Gusev Crater and Meridiani Planum from the Moessbauer Spectrometers on the Mars Exploration Rovers

NASA Technical Reports Server (NTRS)

Morris, Richard V.; Klingelhoefer, Goestar

2006-01-01

The Moessbauer spectrometers on the twin MER rovers Spirit and Opportunity have provided significant new information on the distribution of iron among its oxidation states, the identification of the mineralogical composition of iron-bearing phases, and the distribution of iron among those phases for rock and soil at Gusev Crater and Meridiani Planum. The plains of Gusev Crater are dominated by olivine-bearing basalt (approximately Fo(60)) and Fe(3+)/Fe(total)=0.1 - 0.5. The oxide mineral generally present is magnetite. In contrast, initial results for the Columbia Hills are consistent with the presence of hematite and a ferrous iron phase, possibly pyroxene. Gusev spectra also have a ferric doublet (not jarosite) that is tentatively associated with nano-phase ferric oxide. A wider diversity of material is present at Meridiani Planum. Significantly, jarosite-bearing outcrop is present throughout the region, with good exposures in impact craters such as Eagle and Endurance (Fe(3+)/Fe (total) approx. 0.9). The Moessbauer identification of jarosite (a hydroxyl-bearing sulfate mineral) is evidence for aqueous, acid-sulfate processes on Mars. Hematite is observed within the outcrop matrix and in the spheroidal particles (Blueberries) found within the outcrop and as a surface lag. An isolated rock (Bounce Rock) was the only sample at either landing site whose iron-bearing phase was dominated by pyroxene. The basaltic sand in the central portion of Eagle crater, in the intercrater plains, and between slabs of outcrop at both Eagle and Endurance craters is olivine-bearing basalt. The widespread occurrence of olivine-bearing basalt at both MER landing sites implies that physical, rather than chemical, weathering processes dominate at the surface of contemporary Mars.

Abundance and Speciation of Water and Sulfate at Gusev Crater and Meridiani Planum

NASA Technical Reports Server (NTRS)

Ming, D. W.; Clark, B. C.; Klingelhoefer, G.; Gellert, R.; Rodionov, D.; Schroeder, C.; deSouza, P.; Yen, A.

2005-01-01

A major science goal of the Mars Exploration Rover (MER) mission is to search for evidence of water activity, and direct mineralogical evidence for aqueous activity has been reported for Meridiani Planum in the form of the iron sulfate hydroxide mineral jarosite and at Gusev crater in the form of goethite. The Spirit and Opportunity rovers have each collected 110+ Moessbauer (MB) and 75+ Alpha Particle X-Ray Spectrometer (APXS) spectra from Gusev crater and Meridiani Planum [1 - 4]. In this abstract, we use mineralogical and elemental data, primarily from the Moessbauer and APXS instruments, to infer the speciation and estimate the abundance of sulfate and water (as either the H2O molecule or the hydroxyl anion) at Gusev crater and Meridiani Planum. Throughout the abstract, we adopt a format for mineral formulas that shows water explicitly rather than the usual practice of structure-based formulas (e.g., for goethite we write Fe2O3xH2O instead of FeOOH).

Atomic-Scale Structure of the Tin DX Center and Other Related Defects in Aluminum Gallium Arsenide Semiconductors Using Moessbauer Spectroscopy.

NASA Astrophysics Data System (ADS)

Greco, Luigi Alessandro

The DX center in III-V alloys has limited the use of these materials for electronic devices since the defect acts as an electron trap. To be able to control or eliminate the DX center, its atomic scale structure should be understood. Mossbauer spectroscopy has proven to be a valuable technique in probing the atomic-scale structure of certain atomic species. The dopant studied here is ^{119}Sn. The thermal diffusion of Sn in Al_ {rm x}Ga_{rm 1-x }As using different temperatures, times, sample geometries and As_4 overpressures in evacuated and sealed fused silica ampoules was studied by x-ray diffraction (XRD), secondary ion mass spectroscopy and electrochemical capacitance versus voltage measurements. The AlGaAs surfaces decomposed into various Sn, Si, Ga and As oxides when an As_4 overpressure was introduced during annealing. However, annealing under ambient As_4 and furnace cooling eliminated surface decomposition although the Sn diffusion depth was less than that for a 0.5 atm As_4 overpressure. SiO_{rm x} and Si_{rm x }N_{rm y} RF-sputtered thin film capping layers deposited on AlGaAs were studied by XRD and Auger electron spectroscopy. For the annealed SiO_{rm x} films the AlGaAs surface was preserved, independent of the cooling technique used. Mossbauer spectroscopy was conducted on ^{rm 119m} Sn-implanted Al_ {rm x } Ga_{rm 1-x} As (x = 0.22 and 0.25) used for the source experiments and ^{119}Sn-doped Al _{rm x}Ga _{rm 1-x}As (x = 0.15, N _{rm Sn} ~2 times 10 ^{18} cm^{ -3}) for the absorber experiment. The source samples were capped with 120 nm of SiO_ {rm x} to preserve the surface during the systematic study of annealing temperature versus site occupation and electrical activation via Mossbauer spectroscopy at 76 K and 4 K in the dark and in the light (to observe persistent photoconductivity (PPC) due to the DX center). For all of the annealing conditions used the x = 0.22 sample showed little evidence of PPC possibly due to compensating defects and/or radiation-induced capture. After annealing the x = 0.25 sample at 1000^circC for 2 hours under a Ga + Al overpressure, evidence of PPC was found via Hall measurements but no effect was seen by Mossbauer suggesting radiation-induced capture and/or non-nearest-neighbor lattice relaxation. The Ga + Al overpressure also served to decrease the loss of Sn through the SiO _{rm x} film, possibly through the removal of Ga and Al vacancies. The x = 0.15 absorber showed a persistent 15-18% change in the electrical resistance (10% change in n) between the light and dark. However, the observation of this effect was not apparent, even assuming negative-U (2 electron) behavior, in the Mossbauer measurements. This was also consistent with EXAFS results. These studies do not support the broken-bond model of Chadi and Chang, which is considered to be a widely accepted atomic-scale model of the DX center. A defect complex consisting of a substitutional Sn_{rm Ga(Al) }^+ site, and a (V_{ rm III}^-Al_{ rm As}^{-2}) complex, which localizes 3 electrons and may not be a nearest-neighbor to the donor, was chosen for the DX center in the x = 0.15 sample which supports EXAFS, recent positron annihilation and these Mossbauer studies.

Mineralogical diversity (spectral reflectance and Moessbauer data) in compositionally similar impact melt rocks from Manicouagan Crater, Canada

NASA Technical Reports Server (NTRS)

Morris, R. V.; Bell, J. F., III; Golden, D. C.; Lauer, H. V., Jr.

1993-01-01

Meteoritic impacts under oxidizing surface conditions occur on both earth and Mars. Oxidative alteration of impact melt sheets is reported at several terrestrial impact structures including Manicouagan, West Clearwater Lake, and the Ries Basin. A number of studies have advocated that a significant fraction of Martian soil may consist of erosional products of oxidatively altered impact melt sheets. If so, the signature of the Fe-bearing mineralogies formed by the process may be present in visible and near infrared reflectivity data for the Martian surface. Of concern is what mineral assemblages form in impact melt sheets produced under oxidizing conditions and what their spectral signatures are. Spectral and Moessbauer data for 19 powder samples of impact melt rock from Manicouagan Crater are reported. Results show for naturally occurring materials that composite hematite-pyroxene bands have minima in the 910-nm region. Thus many of the anomalous Phobos-2 spectra, characterized by a shallow band minimum in the near-IR whose position varies between approximately 850 and 1000 nm, can be explained by assemblages whose endmembers (hematite and pyroxene) are accepted to be present on Mars. Furthermore, results show that a mineralogically diverse suite of rocks can be generated at essentially constant composition, which implies that variations in Martian surface mineralogy do not necessarily imply variations in chemical composition.

Iron Mineralogy and Aqueous Alteration on Mars from the MER Moessbauer Spectrometers. Chapter 15

NASA Technical Reports Server (NTRS)

Morris, Richard V.; Klingelhoefer, Goestar

2007-01-01

The twin Mars Exploration Rovers Spirit (Gusev crater) and Opportunity (Meridiani Planum) used MIMOS II Moessbauer spectrometers to analyze martian surface materials in the first application of extraterrestrial Moessbauer spectroscopy. The instruments acquired spectra that identified the speciation of Fe according to oxidation state, coordination state, and mineralogical composition and provided quantitative information about the distribution of Fe among oxidation states, coordination states, and Fe-bearing phases. A total of 12 unique Fe-bearing phases were identified: Fe(2+) in olivine, pyroxene, and ilmenite; Fe(2+) and Fe(3+) in magnetite and chromite; Fe(3+) in nanophase ferric oxide (npOx), hematite, goethite, jarosite, an unassigned Fe3+ sulfate, and an unassigned Fe(3+) phase associated with jarosite; and Fe(0) in kamacite. Weakly altered basalts at Gusev crater (SO3 = 2.5 +/- 1.4 wt.% and Fe(3+)/Fe(sub T) = 0.24 +/- 0.11) are widespread on the Gusev plains and occur in less abundance on West Spur and Husband Hill in the Columbia Hills. Altered low-S rocks (SO3 = 5.2 +/- 2.0 wt.% and Fe(3+)/Fe(sub T) = 0.63 +/- 0.18) are the most common type of rock in the Columbia Hills. Ilm-bearing, weakly altered basalts were detected only in the Columbia Hills, as was the only occurrence of chromite in an altered low-S rock named Assemblee. Altered high-S rocks (SO3 > 14.2 wt.% and Fe(3+)/Fe(sub T) = 0.83 +/- 0.05) are the outcrop rocks of the ubiquitous Burns formation at Meridiani Planum. Two Fe(0)-bearing rocks at Meridiani Planum (Barberton and Heat Shield Rock) are meteorites. Laguna Class soil is weakly altered (SO3 = 6 +/- 2 wt.% and Fe(3+)/Fe(sub T) = 0.29 +/- 0.08) and widely distributed at both Gusev crater and Meridiani Planum, implying efficient global mixing processes or a global distribution of precursor rocks with comparable Fe mineralogical compositions. Paso Robles Class soil is heavily altered (SO3 approx. 31 wt.% and Fe(3+)/Fe(sub T) = 0.83 +/- 0.05), is relatively uncommon, and occurs as subsurface deposits in the Columbia Hills. Berry Class soil is also heavily altered (SO3 = 5 +/- 1 wt.% and Fe(3+)/Fe(sub T) = 0.60 +/- 0.13) and occurs at Meridiani Planum as lag deposits, at the crests of aeolian bedforms, and as isolated pockets on outcrop surfaces. Magnetite is identified as the strongly magnetic component in martian soil. Jarosite (in the Burns outcrop at Meridiani Planum) and goethite (in Clovis Class rocks at Gusev crater) are mineralogical markers for aqueous processes because they contain the hydroxide anion (OH(-)) as an essential part of their structure. Each yields approx.10 wt.% H2O upon dehydroxylation. The presence of Fe sulfates on opposite sides of Mars is evidence that aqueous processes under acid sulfate conditions are or were common. Except for Independence Class rocks in the Columbia Hills, the overall Fe mineralogical compositions and similar basaltic bulk chemical compositions (calculated with respect to S = Cl = 0) of the population of altered rocks analyzed by MER imply isochemical alteration of basaltic precursors at low water-to-rock ratios.

'Bounce' and Shergotty Share Common Ground

NASA Technical Reports Server (NTRS)

2004-01-01

This illustration compares the spectrum of 'Bounce,' a rock at Meridiani Planum, to that of a martian meteorite found on Earth called Shergotty. Bounce's spectrum, and thus mineral composition, is unique to the rocks studied so far at Merdiani Planum and Gusev Crater, the landings sites of the Mars Exploration Rovers Opportunity and Spirit. However, the results here indicate that Bounce is not a one-of-a-kind rock, but shares origins with Shergotty. Shergotty landed in India in 1865. Bounce's spectra were taken on sol 67 by Opportunity's Moessbauer spectrometer.

Magnetic Properties and Moessbauer Spectra of Several Iron(III) Dicarboxylic Acid Complexes.

DTIC Science & Technology

1980-10-01

model CS-202 Displex Cryogenic refrigerator with a model APD-E temperature controller manufactured by Air Products and Chemicals , Inc ., Allentown, Pa...coupled tL a special, helium gas filled shroud, Model DMX-20, supplied by Air Products and Chemicals , Inc . Infrared spectra were obtained on a Beckman IR

The Incredible Diversity of Fe-bearing Phases at Gusev Crater, Mars, According to the Mars Exploration Rover Moessbauer Spectrometer

NASA Technical Reports Server (NTRS)

Morris, R. V.; Klingelhoefer, G.; Schroeder, C.; Rodionov, D. S.; Ming, D. W.; Yen, A.

2006-01-01

The Mars Exploration Rover (MER) Spirit landed on the plains of Gusev Crater on 4 January 2004. One primary scientific objective for the mission is to characterize the mineralogical and elemental composition of surface materials, searching for evidence of water and clues for assessing past and current climates and their suitability for life [1]. The role of the Moessbauer (MB) spectrometer on Spirit is to provide quantitative information about the distribution of Fe among its oxidation and coordination states, identification of Fe-bearing phases, and relative distribution of Fe among those phases. The speciation and distribution of Fe in Martian rock and soil constrains the primary rock types, redox conditions under which primary minerals crystallized, the extent of alteration and weathering, the type of alteration and weathering products, and the processes and environmental conditions for alteration and weathering. In this abstract, we discuss the incredible diversity of Fe-bearing phases detected by Spirit s MB instrument during its first 540 sols of exploration at Gusev crater [2,3].

Characterisation of iron inclusion during the formation of calcium sulfoaluminate phase

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

Idrissi, M., E-mail: mari_idrissi@yahoo.f; Diouri, A.; Damidot, D.

The iron distribution among the sulfoaluminate clinker phases and its ability to enter the calcium sulfoaluminate lattice in solid solution can have a significant influence on manufacturing process and reactivity of calcium sulfoaluminate (CSA) cements. X-ray diffraction (XRD) analysis, Moessbauer spectroscopy, scanning electron microscopy (SEM) equipped with an energy dispersive X-ray analysis system (EDAX) and infrared spectroscopy were used to identify the mineralogical conditions of iron inclusion during the formation of calcium sulfoaluminate (C{sub 4}A{sub 3}S) phase from different mixtures in the CaO-Al{sub 2}O{sub 3}-Fe{sub 2}O{sub 3}-SO{sub 3} system. The mixtures, heated in a laboratory electric oven, contained stoichiometric amountsmore » of reagent grade CaCO{sub 3}, Al{sub 2}O{sub 3}, Fe{sub 2}O{sub 3} and CaSO{sub 4.2}H{sub 2}O for the synthesis of Ca{sub 4}Al{sub (6-2x)}Fe{sub 2x}SO{sub 16}, where x, comprised between 0 and 3, is the mole number of Al{sub 2}O{sub 3} substituted by Fe{sub 2}O{sub 3}. With x increasing from 0 to 1.5, both the iron content of C{sub 4}A{sub 3}S phase and the amounts of side components such as C{sub 2}F and CS increased. For x values included in the range of 1.5-3.0, at temperatures higher than 1200 {sup o}C, melting phenomena were observed and, instead of the C{sub 4}A{sub 3}S solid solution, ferritic phases and anhydrite were formed.« less

Jarosite in the Shergottite Que 94201

NASA Technical Reports Server (NTRS)

Ross, D. K.; Ito, M.; Rao, M. N.; Hervig, R.; Williams, L. B.; Nyquist, Laurence E.; Peslier, A.

2010-01-01

Veins of the hydroxylated, potassium ferric sulfate mineral jarosite - KFe3(SO4)2(OH)6 - have been identified in the martian meteorite Queen Alexandra Range (QUE) 94201. Iron potassium sulfate had been reported in QUE 94201 by Wentworth and Gooding. Jarosite has been reported in other Martian meteorites - Roberts Massif (RBT) 04262, Miller Range (MIL) 03346, and Yamato 000593 - and it has been identified on the Martian surface by Moessbauer spectroscopy. Given the presence of jarosite on Mars, and the burgeoning interest in water-rock interactions on Mars, the question arises whether jarosite in Martian meteorites is formed by aqueous alteration on Mars, or in Antarctica. Hydrogen isotopes are potentially sensitive indicators of the site of formation or last equilibration of hydrous alteration minerals, because of the large difference between D/H ratio of the Martian atmosphere (and also presumably the cryosphere) and terrestrial hydrogen. The Martian atmospheric delta D(sub SMOW) ratio is approximately +4200%o, igneous minerals with substantial hydrogen (phosphates) have high D, +2000%o to +4700%o versus terrestrial waters with approximately 480%o to +130%o. The crystal chemistry and structure of jarosite are reviewed in Papi ke et al. Here we report hydrogen isotopes measured in jarosite in QUE 94201 by ion microprobe, and also report on the major element composition of jarosite measured by electron microprobe.

On previous and present investigations of resonance gamma-ray interaction with nuclei at the Institute of Theoretical and Experimental Physics (ITEP, Moscow)

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

Davydov, A. V.

A brief survey of theoretical and experimental work that is devoted to studying the resonance absorption and scattering of gamma rays by nuclei and which was initiated at the Institute of Theoretical and Experimental Physics (ITEP, Moscow) in the 1950s and has been continued to date is given. Investigations of various versions of interaction in beta decay, magnetic-field-perturbed angular distributions of resonantly scattered gamma rays, the problem of the Moessbauer gamma resonance of long-lived isomeric states of nuclei, and the resonance scattering of annihilation photons by nuclei are described.

A Moessbauer spectrometer for the mineralogical analysis of the Mars surface: First temperature dependent tests of the detector and drive system

NASA Technical Reports Server (NTRS)

Held, P.; Teucher, R.; Klingelhoefer, G.; Foh, J.; Jaeger, H.; Kankeleit, E.

1993-01-01

Part of the scientific payload of the Mars-96 mission is a Fe-(57)Mossbauer (MB) spectrometer installed on a small rover to be placed on the surface of Mars. The instrument is under development at the University of Darmstadt. This instrument, with some modifications, is also included in the scientific payload of the proposed MARSNET mission of the European Space Agency (ESA). A similar instrument is currently under development in the US. The reason for developing a Mossbauer spectrometer for space applications is the high abundance of the element iron, especially on the surface of Mars. The elemental composition of Martian soil was determined during the Viking mission in 1976 but not it's mineralogical composition. One believes that it is composed mainly of iron-rich clay minerals, with an iron content of about 14 (plus or minus 2) wt-percent, partly magnetic. Of extremely great interest are the oxidation state of the iron, the magnetic phases and the mineral composition of the Mars surface. To these questions MB spectroscopy can provide important information, which are not available by other methods. We report on first tests of the experimental setup in the temperature range plus 20 C to -70 C, roughly corresponding to the temperature range on the surface of Mars. Also questions concerning the signal/noise ratio (S/N) are discussed.

Oxygen Transport Membranes

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

S. Bandopadhyay

2008-08-30

The focus of this research was to develop new membrane materials by synthesizing different compounds and determining their defect structures, crystallographic structures and electrical properties. In addition to measuring electrical conductivity, oxygen vacancy concentration was also evaluated using thermogravimetry, Neutron diffraction and Moessbauer Spectroscopy. The reducing conditions (CO{sub 2}/CO/H{sub 2} gas mixtures with steam) as encountered in a reactor environment can be expected to have significant influence on the mechanical properties of the oxides membranes. Various La based materials with and without Ti were selected as candidate membrane materials for OTM. The maximum electrical conductivity of LSF in air asmore » a function of temperature was achieved at < 600 C and depends on the concentration of Sr (acceptor dopant). Oxygen occupancy in LSF was estimated using Neutron diffractometry and Moessbauer Spectroscopy by measuring magnetic moment changes depending on the Fe{sup 3+} and Fe{sup 4+} ratio. After extensive studies of candidate materials, lanthanum ferrites (LSF and LSFT) were selected as the favored materials for the oxygen transport membrane (OTM). LSF is a very good material for an OTM because of its high electronic and oxygen ionic conductivity if long term stability and mechanical strength are improved. LSFT not only exhibits p-type behavior in the high oxygen activity regime, but also has n-type conduction in reducing atmospheres. Higher concentrations of oxygen vacancies in the low oxygen activity regime may improve the performance of LSFT as an OTM. The hole concentration is related to the difference in the acceptor and donor concentration by the relation p = [Sr'{sub La}]-[Ti{sm_bullet}{sub Fe}]. The chemical formulation predicts that the hole concentration is, p = 0.8-0.45 or 0.35. Experimental measurements indicated that p is about {approx} 0.35. The activation energy of conduction is 0.2 eV which implies that LSCF conducts via the small polaron conduction mechanism. Scanning transmission electron microscopy (STEM) and electron energy loss spectroscopy (EELS) were used to develop strategies to detect and characterize vacancy creation, dopant segregations and defect association in the oxygen conducting membrane material. The pO{sub 2} and temperature dependence of the conductivity, non-stoichiometry and thermal-expansion behavior of compositions with increasing complexity of substitution on the perovskite A and B sites were studied. Studies with the perovskite structure show anomalous behavior at low oxygen partial pressures (<10{sup -5} atm). The anomalies are due to non-equilibrium effects and can be avoided by using very strict criteria for the attainment of equilibrium. The slowness of the oxygen equilibration kinetics arises from two different mechanisms. In the first, a two phase region occurs between an oxygen vacancy ordered phase such as brownmillerite SrFeO{sub 2.5} and perovskite SrFeO{sub 3-x}. The slow kinetics is associated with crossing the two phase region. The width of the miscibility gap decreases with increasing temperature and consequently the effect is less pronounced at higher temperature. The preferred kinetic pathway to reduction of perovskite ferrites when the vacancy concentration corresponds to the formation of significant concentrations of Fe{sup 2+} is via the formation of a Ruddlesden-Popper (RP) phases as clearly observed in the case of La{sub 0.5}Sr{sub 0.5}FeO{sub 3-x} where LaSrFeO{sub 4} is found together with Fe. In more complex compositions, such as LSFTO, iron or iron rich phases are observed locally with no evidence for the presence of discrete RP phase. Fracture strength of tubular perovskite membranes was determined in air and in reducing atmospheric conditions. The strength of the membrane decreased with temperature and severity of reducing conditions although the strength distribution (Weibull parameter, m) was relatively unaltered. Surface and volume dominated the fracture origins and the overall fracture was purely transgranular. The dual phase membranes have been evaluated for structural properties. An increasing crack growth resistance was observed for the membranes heat-treated at 1000 C in air and N{sub 2} with increasing crack length. The combined effect of thermal and elastic mismatch stresses on the crack path was studied and the fracture behavior of the dual phase composite at the test conditions was analyzed. Ceramic/metal (C/M) seals are needed to form a leak-tight interface between the OTM and a nickel-base super alloy. It was concluded that Ni-based brazing alloys provided the best option in terms of brazing temperature and final operating conditions after analyzing several possible brazing systems. A mechanical testing procedure has been developed. This model was tested with model ceramic/metal systems but it is expected to be useful for testing concentric perovskite/metal seals.« less

Iron hydrides formation in interstellar clouds

NASA Astrophysics Data System (ADS)

Bar-Nun, A.; Pasternak, M.; Barrett, P. H.

1980-07-01

A recent Moessbauer study with Fe-57 in a solid hydrogen or hydrogen-argon matrix demonstrated the formation of an iron hydride molecule (FeH2) at 2.5-5 K. Following this and other studies, the possible existence of iron hydride molecules in interstellar clouds is proposed. In clouds, the iron hydrides FeH and FeH2 would be formed only on grains, by encounters of H atoms or H2 molecules with Fe atoms which are adsorbed on the grains. The other transition metals, Sc, Ti, V, Cr, Mn, Co, N, Cd and also Cu and Ca form hydrides of the type M-H, which could be responsible, at least in part, for the depletion of these metals in clouds.

'Berries' on the Ground 2 (3-D)

NASA Technical Reports Server (NTRS)

2004-01-01

This is the 3-D anaglyph showing a microscopic image taken of soil featuring round, blueberry-shaped rock formations on the crater floor at Meridiani Planum, Mars. This image was taken on the 13th day of the Mars Exploration Rover Opportunity's journey, before the Moessbauer spectrometer, an instrument located on the rover's instrument deployment device, or 'arm,' was pressed down to take measurements. The area in this image is approximately 3 centimeters (1.2 inches) across.

Ripples in The Soil

NASA Technical Reports Server (NTRS)

2004-01-01

This is a three-dimensional stereo anaglyph of an image taken by the front navigation camera onboard the Mars Exploration Rover Spirit, showing an interesting patch of rippled soil. Spirit took this image on sol 37 (Feb. 9, 2004) after completing the longest drive ever made by a rover on another planet - 21.2 meters (69.6 feet). On sol 38 scientists plan to investigate this interesting location with the microscopic imager and Moessbauer spectrometer on Spirit's instrument deployment device.

Martian Magnets Under the Microscope

NASA Technical Reports Server (NTRS)

2004-01-01

NASA's Mars Exploration Rover Spirit acquired this microscopic imager view of its capture magnet on sol 92 (April 6, 2004). Both Spirit and the Mars Exploration Rover Opportunity are equipped with a number of magnets. The capture magnet, as seen here, has a stronger charge than its sidekick, the filter magnet. The lower-powered filter magnet captures only the most magnetic airborne dust with the strongest charges, while the capture magnet picks up all magnetic airborne dust.

The magnets' primary purpose is to collect the martian magnetic dust so that scientists can analyze it with the rovers' Moessbauer spectrometers. While there is plenty of dust on the surface of Mars, it is difficult to confirm where it came from, and when it was last airborne. Because scientists are interested in learning about the properties of the dust in the atmosphere, they devised this dust-collection experiment.

The capture magnet is about 4.5 centimeters (1.8 inches) in diameter and is constructed with a central cylinder and three rings, each with alternating orientations of magnetization. Scientists have been monitoring the continual accumulation of dust since the beginning of the mission with panoramic camera and microscopic imager images. They had to wait until enough dust accumulated before they could get a Moessbauer spectrometer analysis. The results of that analysis, performed on sol 92, have not been sent back to Earth yet.

Experimentally Shocked and Altered Basalt: Laboratory Analogs for Calibration of Mars Remote Sensing and In Situ Data

NASA Technical Reports Server (NTRS)

Bell, M. S.

2015-01-01

Calciumphosphate (likely chloroapatite) is formed in the alteration experiments and is more abundant in the altered and shocked sample probably due to increased surface area exposed to alteration fluids resulting from shock damage in the form of both brittle and structural deformation to the starting material (Figs 1 & 3). Apatite forms in basic conditions so the closed system alteration experiment must be buffered by the basalt starting material to create a fluid chemistry environment evolving from neutral at the start to alkaline after 21 days at 160 C. Plagioclase feldspar in the unshocked sample (Fig. 2) has undergone a solid-state transformation to maskelynite, a disordered phase that is not manifest in the XRD pattern of the shocked sample (Fig.4). Olivine and ulvospinel that are present in the starting material can be detected by XRD in the shocked and altered sample (Fig. 4). Tungsten from the sample holder used in the shock experiments dominates the XRD pattern of the shocked and altered sample (Fig. 4). Samples were weighed after the alteration experiments to determine mass loss and predict the amount of material available for the planned analyses from the shock experiments. Within the constraints of these experiments, mass loss is negligible. The samples will next be characterized by Moessbauer and Vis-Near IR spectroscopy, the results of which will be compared to the Mars Exploration Rovers and Mars Reconnaissance Orbiter data sets respectively.

Experimentally Shocked and Altered Basalt: Laboratory Analogs for Calibration of Mars Remote Sensing and In Situ Data

NASA Technical Reports Server (NTRS)

Bell, M. S.

2015-01-01

Calcium phosphate (likely chloroapatite) is formed in the alteration experiments and is more abundant in the altered and shocked sample probably due to increased surface area exposed to alteration fluids resulting from shock damage in the form of both brittle and structural deformation to the starting material (Figs 1 & 3). Apatite forms in basic conditions so the closed system alteration experiment must be buffered by the basalt starting material to create a fluid chemistry environment evolving from neutral at the start to alkaline after 21 days at 160 degrees Centigrade. Plagioclase feldspar in the unshocked sample (Fig. 2) has undergone a solid-state transformation to maskelynite, a disordered phase that is not manifest in the X-ray diffraction pattern of the shocked sample (Fig.4). Olivine and ulvospinel that are present in the starting material can be detected by X-ray diffraction in the shocked and altered sample (Fig. 4). Tungsten from the sample holder used in the shock experiments dominates the X-ray diffraction pattern of the shocked and altered sample (Fig. 4). Samples were weighed after the alteration experiments to determine mass loss and predict the amount of material available for the planned analyses from the shock experiments. Within the constraints of these experiments, mass loss is negligible. The samples will next be characterized by Moessbauer and Vis-Near Infrared spectroscopy, the results of which will be compared to the Mars Exploration Rovers and Mars Reconnaissance Orbiter data sets respectively.

Adirondack's Inner Self

NASA Technical Reports Server (NTRS)

2004-01-01

This spectrum - the first taken of a rock on another planet - reveals the different iron-containing minerals that makeup the martian rock dubbed Adirondack. It shows that Adirondack is a type of volcanic rock known as basalt. Specifically, the rock is what is called olivine basalt because in addition to magnetite and pyroxene, two key ingredients of basalt, it contains a mineral called olivine. This data was acquired by Spirit's Moessbauer spectrometer before the rover developed communication problems with Earth on the 18th martian day, or sol, of its mission.

'Berries' on the Ground 2 (3-D)

NASA Technical Reports Server (NTRS)

2004-01-01

This is the 3-D anaglyph showing a microscopic image taken of soil featuring round, blueberry-shaped rock formations on the crater floor at Meridiani Planum, Mars. This image was taken on the 13th day of the Mars Exploration Rover Opportunity's journey, after the Moessbauer spectrometer, an instrument located on the rover's instrument deployment device, or 'arm,' was pressed down to measure the soil's iron mineralogy. Note the donut-shaped imprint of the instrument in the lower part of the image. The area in this image is approximately 3 centimeters (1.2 inches) across.

Moessbauer/XRF MIMOS Instrumentation and Operation During the 2012 Analog Field Test on Mauna Kea Volcano, Hawaii

NASA Technical Reports Server (NTRS)

Graff, Trevor G.; Morris, R. V.; Klingelhofer, G.; Blumers, M.

2013-01-01

Field testing and scientific investigations were conducted on the Mauna Kea Volcano, Hawaii, as part of the 2012 Moon and Mars Analog Mission Activities (MMAMA). Measurements were conducted using both stand-alone and rover-mounted instruments to determine the geophysical and geochemical properties of the field site, as well as provide operational constraints and science considerations for future robotic and human missions [1]. Reported here are the results from the two MIMOS instruments deployed as part of this planetary analog field test.

Model for Volatile Incorporation into Soils and Dust on Mars

NASA Astrophysics Data System (ADS)

Clark, B. C.; Yen, A.

2006-12-01

Martian soils with high content of compounds of sulfur and chlorine are ubiquitous on Mars, having been found at all five landing sites. Sulfate and chloride salts are implicated by a variety of evidence, but few conclusive specific identifications have been made. Discovery of jarosite and Mg-Ca sulfates in outcrops at Meridiani Planum (MER mission) and regional-scale beds of kieserite and gypsum (Mars Express mission) notwithstanding, the sulfates in soils are uncertain. Chlorides or other Cl-containing minerals have not been uniquely identified directly by any method. Viking and Pathfinder missions found trends in the elemental analytical data consistent with MgSO4, but Viking results are biased by duricrust samples and Pathfinder by soil contamination of rock surfaces. The Mars Exploration Rovers (MER) missions have taken extensive data on soils with no confirmation of trends implicating any particular cation. In our model of martian dust and soil, the S and Cl are initially incorporated by condensation or chemisorption on grains directly from gas phase molecules in the atmosphere. It is shown by modeling that the coatings thus formed cannot quantitatively explain the apparent elemental composition of these materials, and therefore involve the migration of ions and formation of microscopic weathering rinds. Original cation inventories of unweathered particles are isochemically conserved. Exposed rock surfaces should also have micro rinds, depending upon the length of time of exposure. Martian soils may therefore have unusual chemical properties when interacting with aqueous layers or infused fluids. Potential ramifications to the quantitative accuracy of x-ray fluorescence and Moessbauer spectroscopy on unprocessed samples are also assessed.

Recent Results from the Mars Exploration Rover Spirit Mission

NASA Astrophysics Data System (ADS)

Squyres, S. W.

2005-05-01

Since arriving at the Columbia Hills, the Spirit rover's primary area of geologic investigation has been the West Spur of Husband Hill. Pancam images of West Spur rocks show morphology ranging from massive to finely layered. Microscopic Imager images show the rocks to be clastic in nature, with a substantial range in grain sizes. Grains vary from rounded to angular. Mini-TES data show little variability from one rock to the next, and the best fit to the IR spectral signature of the rocks is dominated by basaltic glass. The chemistry revealed by the APXS is broadly basaltic in nature, but substantially enhanced in P, S, Cl, and Br relative to plains rocks. Moessbauer data show that olivine is absent in West Spur rocks, and pyroxene signatures are weak. Fe oxides and oxyhydroxides are present. We interpret the rocks of the West Spur to be aqueously altered basaltic materials of volcaniclastic or impact origin. Since leaving the West Spur, Spirit has explored toward the northeast, higher onto Husband Hill. Loose rocks ("float") on the north flank of the hill are dominated by another poorly sorted clastic lithology that contains olivine and that has strikingly high abundances of Ti and P. Only a few bedrock outcrops have been identified on the main body of Husband Hill. All of these examined to date consist of a coarse-grained clastic rock dominated by basaltic chemistry and cemented by sulfate salts. Grain sizes range up to several mm, and sub-cm layering is present. Moessbauer data show pyroxene, olivine, and a high abundance of magnetite in the basaltic component. APXS data are consistent with the rock being up to 20 percent magnesium sulfate salts by mass, and microscopic images show a high degree of cementation by these salts.

Effects of the chemical environment on the spectroscopic properties of clays: Applications for Mars

NASA Technical Reports Server (NTRS)

Bishop, Janice L.; Pieters, Carle M.

1992-01-01

Laboratory studies of Mars soil analogs pose unique problems, since soils interact readily with their environment and exhibit variable characteristics depending on the environment. We have performed a series of experiments focusing on the spectral properties of clays and how they vary as a function of composition and environment, including examination of fundamental as well as overtone absorptions, that occur in the mid- and near-IR, respectively. Smectite clays have been selected in our laboratory experiments as a primary surface analog for Mars because of their compatibility with results of the Viking biology experiments, their stability under current martian conditions, and their compatibility with reflectance spectra of Mars. We prepared a number of monoionic montmorillonites in order to examine the influence of cations on the water molecules in the clay interlayer region. Moessbauer spectra of several montmorillonites with variable amounts of interlayer iron confirm the presence of ferrihydrite.

Evidence for pigmentary hematite on Mars based on optical, magnetic, and Moessbauer studies of superparamagnetic (nanocrystalline) hematite

NASA Technical Reports Server (NTRS)

Morris, Richard V.; Agresti, David G.; Newcomb, Jeffery A.; Shelfer, Tad D.; Lauer, Howard V., Jr.

1989-01-01

Samples containing variable amounts of superparamagnetic hematite (sp-Hm) were prepared by a method in which the sp-Hm particles were dispersed throughout larger particles of silica gel, and the optical and magnetic properties of these samples were compared with those of larger-diameter hematite (bulk-Hm). It is shown that the optical properties of sp-Hm are different from those of bulk-Hm. Implications of the results for mineralogical interpretations of spectral data for the Martian surface and its terrestrial analogues are discussed. It is concluded that features resulting from ferric iron in the Martian spectral data and the results of the Viking magnetic properties experiment are both consistent with hematite present as both sp-Hm and bulk-Hm; the hematite particles most likely occur in pigmentary form, i.e., as particles dispersed throughout the volume of a spectrally neutral material.

'King George Island' Brushed

NASA Technical Reports Server (NTRS)

2006-01-01

[figure removed for brevity, see original site] Annotated Version

This mosaic was made from frames acquired by the microscopic imager on NASA's Mars Exploration Rover Spirit during Spirit's 1,031 Martian day, or sol, on the red planet (Nov. 27, 2006). It shows a rock target called 'King George Island' after the target was brushed by the rover's rock abrasion tool. The mosaic covers approximately 6 centimeters (2.4 inches) across and shows the granular nature of the rock exposure. The grains are typically about 1 millimeter (.04 inches) wide. Data from the rover's Moessbauer spectrometer provides evidence that they have an enhanced amount of the mineral hematite relative to surrounding soils.

A Bowl of Hematite-Rich 'Berries'

NASA Technical Reports Server (NTRS)

2004-01-01

This graph shows two spectra of outcrop regions near the Mars Exploration Rover Opportunity's landing site. The blue line shows data for a region dubbed 'Berry Bowl,' which contains a handful of the sphere-like grains dubbed 'blueberries.' The yellow line represents an area called 'Empty' next to Berry Bowl that is devoid of berries. Berry Bowl's spectrum still shows typical outcrop characteristics, but also exhibits an intense hematite signature, seen as a 'magnetic sextet.' Hematite is an iron-bearing mineral often formed in water. These spectra were taken by the rover's Moessbauer spectrometer on the 46th (Empty) and 48th (Berry Bowl) martian days, or sols, of its mission.

NASA MSU Status Report. [Research on high T(sub c) superconducting compounds

NASA Technical Reports Server (NTRS)

Oliver, Frederick W.

1995-01-01

Our laboratory concentrations consisted of several parts: (1) we made several presentations of the work sponsored by NASA covered under the last status report period; (2) we irradiated and successfully completed Moessbauer measurements on a high temperature superconductor; (3) we continued the improvement of our laboratory with the development of improved software; and (4) we made modifications of equipment to increase the efficiency and decrease the time necessary for completing an experimental investigation. In addition to our research results, this report contains a copy of the last financial report submitted by the University's business office that was related to this grant.

'Bounce': Not Like the Others

NASA Technical Reports Server (NTRS)

2004-01-01

This illustration shows that the rock dubbed 'Bounce' near the Mars Exploration Rover Opportunity's landing region at Meridiani Planum is not made up of the same minerals as surrounding soil. Spectra from three soil samples taken outside of 'Eagle Crater' are compared to that of Bounce (bottom). The dashed white line in the center of the spectra indicates where the 'fingerprint' for triple-oxidized iron (Fe 3+) occurs. While the soil samples possess this feature, Bounce does not. The results suggest that Bounce did not originate in the plains of Meridiani Planum. These spectra were taken by the rover's Moessbauer spectrometer. Measurements of Bounce were made on sol 67.

Francis Bitter National Magnet Laboratory annual report, July 1988 through June 1989

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

Not Available

1989-01-01

Contents include: reports on laboratory research programs--magneto-optics and semiconductor physics, magnetism, superconductivity, solid-state nuclear magnetic resonance, condensed-matter chemistry, biomagnetism, magnet technology, instrumentation for high-magnetic-field research, molecular biophysics; reports of visiting scientists--reports of users of the High Magnetic Field Facility, reports of users of the Pulsed Field Facility, reports of users of the SQUID Magnetometer and Moessbauer Facility, reports of users of the High-Field NMR Facility; Appendices--publications and meeting speeches, organization, summary of High-Field Magnet Facility use January 1, 1981 through December 31, 1988; geographic distribution of High-Field Magnet users (excluding laboratory staff); and summary of educational activities.

Acid-Sulfate Alteration at Gusev Crater and Across Mars: High-SiO2 Residues and Ferric Sulfate Precipitates

NASA Technical Reports Server (NTRS)

Morris, R. V.; Catalano, J. G.; Klingelhoefer, G.; Schroeder, C.; Gellert, R.; Clark, B. C.; Ming, D. W.; Yen, A. S.; Arvidson, R. E.; Cohen, B. A.;

Quantifying the Complete Mineral Assemblages in Rocks of GUSEV Crater, Mars

NASA Technical Reports Server (NTRS)

McSween, H. Y.; Ruff, S. W.; Morris, R. V.; Gellert, R.

2007-01-01

Determining the complete mineralogy of Mars rocks by remote sensing has remained a challenge, because of inherent limitations in the minerals that can be detected and uncertainties in spectral modeling. A subset of the igneous rocks of Gusev crater provide a unique opportunity to determine modal mineralogy, because of limited alteration and the analytical capabilities of the Athena instrument package. Here we estimate the absolute (wt. %) abundances of Fe-bearing minerals from Moessbauer spectra (previously reported only as "areas for component subspectra"), and compare these results to the normative mineralogy calculated from APXS elemental analyses. We also test our preferred mineralogy by comparison of Mini-TES spectra with synthetic thermal emission spectra.

Anomalous Moessbauer Fraction in Superparamagnetic Systems.

NASA Astrophysics Data System (ADS)

Mohie-Eldin, Mohie-Eldin Yehia

The biological molecule ferritin and its proven synthetic counterpart polysaccharide iron complex (P.I.C.) have been shown to contain small (<100 ^circ in diameter) antiferromagnetic cores at their centers. Mossbauer studies of these molecules have revealed an anomalous drop in the Mossbauer fraction (f-factor) as the temperature rises above 30^ circK for mammalian ferritin and 60 ^circK for P.I.C. Above the blocking temperature, superparamagnetic relaxation results in the disappearance of hyperfine splitting. This thesis investigates and attempts to resolve this Lamb-Mossbauer f-Factor anomaly in these superparamagnetically relaxing systems. Chapter I deals with a basic review of theories of Mossbauer spectroscopy and superparamagnetism. The analogies in the composition of the two molecules is examined in Chapter II. The long range order technique of magnetization measurements is used in Chapter III to compare magnetic properties of both molecules and to verify the suggestion that the P.I.C. molecule is a good "biomimic" to ferritin based on the identification of ferrihydrite as the major mineral in both, by short range probing techniques such as X-ray diffraction. The anomaly is confirmed in P.I.C.'s Mossbauer spectra in Chapter IV. Different absorbers are used to experimentally investigate the absorber thickness effect on the Mossbauer spectra. The anomaly persists for thin absorbers. Also in Chapter V, data that is treated with FFT procedures to eliminate the thickness effect still exhibit this anomaly. We then investigated the effect of superparamagnetic relaxation on the f-factor. In Chapter VI, spin-lattice relaxation was excluded based upon a calculation of the rate of energy transfer from the spin system to the lattice. We introduce a theory in Chapter VII based on the following process as a plausible explanation of the anomaly: Superparamagnetic relaxation brings about a dynamical displacement of the Mossbauer nucleus through magnetostriction. These displacements produce a Doppler broadening of the Mossbauer spectrum that reduces the apparent f-factor. The temperature dependence of the theoretically calculated f-factor agrees qualitatively with experiment. Finally, there is semi-quantitative agreement if the as yet unknown dimensionless magnetostriction constant were to be on the order of 10^{-3} .

Strong cooperative coupling of pressure-induced magnetic order and nematicity in FeSe

NASA Astrophysics Data System (ADS)

Kreyssig, Andreas

In iron-based superconductors, the lattice, magnetism and electronic system show a fascinating interplay. Nematic order breaks the tetragonal symmetry and yields an orthorhombic lattice distortion. The same symmetry is broken by the stripe-like antiferromagnetic order suggesting a symmetry-related coupling between both phenomena. The phase transitions in to both ordered states can be simultaneous and of first-order character like in CaFe2As2, or separated in temperature like in Co-doped BaFe2As2 with second or first-order character depending on the doping level. Stripe-type magnetic fluctuations are discussed as correlation-driven electronic mechanism of the nematicity and important for the superconducting electron pairing establishing a coupling mechanism. However, a universal picture has been confounded by measurements of FeSe where the nematic and magnetic transitions appear to be decoupled by the observation of the lattice distortion without antiferromagnetic order at ambient pressure. In this talk I will present our recent study on the relation between the nematic and magnetic order in FeSe single crystals investigated by synchrotron-based high-energy x-ray diffraction and time-domain Moessbauer spectroscopy as function of temperature and pressure. Distinct nematic and magnetic transitions are observed for low pressures and merge into a single first-order transition for higher pressures reminiscent of what has been found for the evolution of these transitions in Co-doped BaFe2As2. Our results are consistent with a spin-driven mechanism for nematic order in FeSe and provide an important step towards a universal description of the interplay between the different ordering phenomena in the iron-based superconductors. This work was performed in collaboration with K. Kothapalli, A. E. Böhmer, W. T. Jayasekara, B. G. Ueland, P. Das, A. Sapkota, V. Taufour, Y. Xiao, E. Alp, S. L. Bud'ko, P.C. Canfield, and A.I. Goldman; and supported by the Department of Energy, Basic Energy Sciences, Division of Materials Sciences and Engineering, under Contract No. DE-AC02-07CH11358.

CO + H/sub 2/ reaction over nitrogen-modified iron catalysts. Quarterly technical progress report, October 1, 1983-December 30, 1983. [Denitriding of iron nitrides in both hydrogen and helium

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

Delgass, W.N.

1984-02-01

The synthesis of epsilon-Fe/sub 2.7/N is confirmed by Moessbauer spectroscopy. Carburization of epsilon-iron nitride for 2.5 hours in 3H/sub 2//CO at 523 K starts the formation of a bulk structure similar to that seen during ..gamma..'-iron nitride carburization. Reaction of ..gamma..'-Fe/sub 4/N in 3CO/H/sub 2/ synthesis gas at 523 K shows a better bulk stability than reaction in 3H/sub 2//CO. Kinetic analysis of the product distribution at the higher CO ratio confirms greater activity and selectivity maintainance. The kinetics of denitriding in both He and H/sub 2/ was studied with a mass spectrometer. Extremely rapid nitrogen loss was observed frommore » both ..gamma..'-Fe/sub 4/N and epsilon-Fe/sub 2.7/N catalysts in H/sub 2/ at 523 K. In both cases a initial exposure to H/sub 2/ produced a significant amount of NH/sub 3/ which we ascribe to an active surface species. Hydrogenation of the bulk continued with a slow rise to a maximum about 90 seconds after the introduction of H/sub 2/. The denitriding activity of the epsilon-Fe/sub 2.7/N catalyst was significantly higher than that of the ..gamma..'-Fe/sub 4/N catalyst. In contrast, the denitriding rate of epsilon-Fe/sub 2.7/N in He was significantly slower than that in H/sub 2/ until high temperatures (773K) were reached. An overall activation energy of 41.5 kcal/mol was obtained for this process. Comparison of the denitriding rate of virgin epsilon-Fe/sub 2.7/N in H/sub 2/ with that of the same nitride after five minutes of carburization during the hydrocarbon synthesis reaction indicates large differences in the overall rate. The carburized nitride was some 300 times less active to bulk hydrogenation than the virgin catalyst, which is indicative of significant changes in the first few layers of the nitride during the initial minutes of the synthesis reaction. 17 references, 5 figures.« less

Compositional Analysis of Martian Soil: Synergism of APEX and MECA Experiments on MPS 2001

NASA Technical Reports Server (NTRS)

Arvidson, R.; Marshall, J.

1999-01-01

The APEX (ATHENA Precursor Experiment) payload for the Mars 2001 mission will analyze soil and dust with a multispectral panoramic imager and an emission spectrometer on a mast on the lander, a Moessbauer spectrometer on the lander robotic arm (RA), and APXS measurements on the Marie Curie rover. These analytical methods will provide data on elemental abundances and mineralogy. The MECA payload on the lander will apply microscopy, AFM, wet chemistry, adhesive substrates, and electrometry to determine the shape and size of particles in the soil and dust, the presence of toxic substances, and electrostatic, magnetic, and hardness qualities of particles. The two experiments will complement one another through several interactions: (1) The panoramic imager provides the geological setting in which both APEX and MECA samples are acquired, (2) The RA provides samples to MECA from the surface and subsurface and will permit APEX analytical tools access to materials below the immediate surface, (3) Comparisons can be made between elemental analyses of the Moessbauer, IR, APXS on APEX and the wet chemistry of MECA which will define trace elements (ionic species in solution) and soil redox potential and conductivity. (4) APEX bulk compositional measurements will place MECA trace measurements in context, and similarly, MECA microscopy will provide particle size data that may correlate with compositional differences determined by the APEX instruments. Additionally, lithic fragments viewed by the MECA microscope station should correlate with mineral/rock species inferred by APEX data, (5) If APEX instruments detect quartz for example, the scratch plates of the MECA microscope stage will define if a mineral of this hardness is registered during abrasion tests. This is by no means an exhaustive list of potential interactions, but it is clear that both the sheer number of analytical techniques and their complementarity should provide an analytically powerful capability for both planetary and HEDS communities.

Compositional Analysis of Martian Soil: Synergism of APEX and MECA Experiments on MPS 2001

NASA Technical Reports Server (NTRS)

Arvidson, R.; Marshall, J.

1999-01-01

The APEX (ATHENA Precursor Experiment) payload for the Mars 2001 mission will analyze soil and dust with a multispectral panoramic imager and an emission spectrometer on a mast on the lander, a Moessbauer spectrometer on the lander robotic arm (RA), and APXS measurements on the Marie Curie rover. These analytical methods will provide data on elemental abundances and mineralogy. The MECA payload on the lander will apply microscopy, AFM, wet chemistry, adhesive substrates, and electrometry to determine the shape and size of particles in the soil and dust, the presence of toxic substances, and electrostatic, magnetic, and hardness qualities of particles. The two experiments will complement one another through several interactions: (1) The panoramic imager provides the geological setting in which both APEX and MECA samples are acquired, (2) The RA provides samples to MECA from the surface and subsurface and will permit APEX analytical tools access to materials below the inunediate surface, (3) Comparisons can be made between elemental analyses of the Moessbauer, IR, APXS on APEX and the wet chemistry of MECA which will define trace elements (ionic species in solution) and soil redox potential and conductivity. (4) APEX bulk compositional measurements will place MECA trace measurements in context, and similarly, MECA microscopy will provide particle size data that may correlate with compositional differences determined by the APEX instruments. Additionally, lithic fragments viewed by the NMCA microscope station should correlate with mineral/rock species inferred by APEX data, (5) If APEX instruments detect quartz for example, the scratch plates of the N4ECA microscope stage will define if a mineral of this hardness is registered during abrasion tests. This is by no means an exhaustive list of potential interactions, but it is clear that both the sheer number of analytical techniques and their complementarity should provide an analytically powerful capability for both planetary and BEDS communities.

Moessbauer Mineralogy of Rock, Soil, and Dust at Gusev Crater, Mars: Spirit's Journey through Weakly Altered Olivine Basalt on the Plains and Pervasively Altered Basalt in the Columbia Hills

NASA Technical Reports Server (NTRS)

Morris, R. V.; Klingelhoefer, G.; Schroeder, C.; Rodionov, D. S.; Yen, A.; Ming, D. W.; deSouza, P. A., Jr.; Fleischer, I.; Wdowiak, T.; Gellert, R.;

Effect of oxygen impurities on properties of the ternary superconductor SnMo/sub 6/S/sub 8/: Extended x-ray-absorption fine-structure determination of bond distances and local-density cluster calculations

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

Guenzburger, D.; Ellis, D.E.; Montano, P.A.

1985-10-01

Electronic structure calculations were performed for clusters representing the Chevrel-phase SnMo/sub 6/S/sub 8/, with and without oxygen doping. In order to obtain the local structure around the Sn atom, extended x-ray-absorption fine-structure (EXAFS) measurements were made with synchro- tron radiation. The interatomic distances obtained experimentally were used in the calculations. The effect of oxygen doping on the Moessbauer isomer shift and quadrupole splitting values of /sup 119/Sn was investigated theoretically and compared with reported experimental values. The effect of oxygen substitution on the density of states at the Fermi energy of the (Mo/sub 6/S/sub 8/)/sup 2 -/ cluster was alsomore » studied. The results suggest that oxygen doping does not alter significantly the electronic structure of SnMo/sub 6/S/sub 8/.« less

Mineral Tells Tale of Watery Past

NASA Technical Reports Server (NTRS)

2004-01-01

This spectrum, taken by the Mars Exploration Rover Opportunity's Moessbauer spectrometer, shows the presence of an iron-bearing mineral called jarosite in the collection of rocks dubbed 'El Capitan.' 'El Capitan' is located within the rock outcrop that lines the inner edge of the small crater where Opportunity landed. The pair of yellow peaks specifically indicates a jarosite phase, which contains water in the form of hydroxyl as a part of its structure. These data suggest water-driven processes exist on Mars. Three other phases are also identified in this spectrum: a magnetic phase (blue), attributed to an iron-oxide mineral; a silicate phase (green), indicative of minerals containing double-ionized iron (Fe 2+); and a third phase (red) of minerals with triple-ionized iron (Fe 3+).

Mineral Tells Tale of Watery Past-2

NASA Technical Reports Server (NTRS)

2004-01-01

This spectrum, taken by the Mars Exploration Rover Opportunity's Moessbauer spectrometer, shows the presence of an iron-bearing mineral called jarosite in the collection of rocks dubbed 'El Capitan.' 'El Capitan' is located within the outcrop that lines the inner edge of the small crater where Opportunity landed. The pair of yellow peaks specifically indicates a jarosite phase, which contains water in the form of hydroxyl as a part of its structure. These data suggest water-driven processes exist on Mars. Three other phases are also identified in this spectrum: a magnetic phase (blue), attributed to an iron-oxide mineral; a silicate phase (green), indicative of minerals containing double-ionized iron (Fe 2+); and a third phase (red) of minerals with triple-ionized iron (Fe 3+).

Misconceptions in recent papers on special relativity and absolute space theories

NASA Technical Reports Server (NTRS)

Torr, D. G.; Kolen, P.

1982-01-01

Several recent papers which purport to substantiate or negate arguments in favor of certain theories of absolute space have been based on fallacious principles. This paper discusses three related instances, indicating where misconceptions have arisen. It is established, contrary to popular belief, that the classical Lorentz ether theory accounts for all the experimental evidence which supports the special theory of relativity. It is demonstrated that the ether theory predicts the null results obtained from pulsar timing and Moessbauer experiments. It is concluded that a measurement of the one-way velocity of light has physical meaning within the context of the Lorentz theory, and it is argued that an adequately designed experiment to measure the one-way velocity of light should be attempted.

Windblown 'Whymper'

NASA Technical Reports Server (NTRS)

2005-01-01

[figure removed for brevity, see original site] Annotated image of PIA04193 Windblown 'Whymper'

NASA's Spirit rover took this mosaic of the undisturbed soil deposit 'Whymper' on martian day, or sol 588 (August 29, 2005), using its microscopic imager. A well-defined impression about 3 centimeters (1.2 inches) wide was created when the rover's Moessbauer spectrometer faceplate was gently pushed into the soil. Note that the surface of the soil has been modified into wind streaks.

The ability of the soil to make fine molds of the faceplate suggests the material is a mix of sand and dust. The dust is pushed into the pores of the sand and keeps the material from collapsing. This allows for very detailed impressions of the faceplate.

The catalase activity of diiron adenine deaminase

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

Kamat S. S.; Swaminathan S.; Holmes-Hampton, G. P.

2011-12-01

Adenine deaminase (ADE) from the amidohydrolase superfamily (AHS) of enzymes catalyzes the conversion of adenine to hypoxanthine and ammonia. Enzyme isolated from Escherichia coli was largely inactive toward the deamination of adenine. Molecular weight determinations by mass spectrometry provided evidence that multiple histidine and methionine residues were oxygenated. When iron was sequestered with a metal chelator and the growth medium supplemented with Mn{sup 2+} before induction, the post-translational modifications disappeared. Enzyme expressed and purified under these conditions was substantially more active for adenine deamination. Apo-enzyme was prepared and reconstituted with two equivalents of FeSO{sub 4}. Inductively coupled plasma mass spectrometrymore » and Moessbauer spectroscopy demonstrated that this protein contained two high-spin ferrous ions per monomer of ADE. In addition to the adenine deaminase activity, [Fe{sup II}/Fe{sup II}]-ADE catalyzed the conversion of H{sub 2}O{sub 2} to O{sub 2} and H{sub 2}O. The values of k{sub cat} and k{sub cat}/K{sub m} for the catalase activity are 200 s{sup -1} and 2.4 x 10{sup 4} M{sup -1} s{sup -1}, respectively. [Fe{sup II}/Fe{sup II}]-ADE underwent more than 100 turnovers with H{sub 2}O{sub 2} before the enzyme was inactivated due to oxygenation of histidine residues critical for metal binding. The iron in the inactive enzyme was high-spin ferric with g{sub ave} = 4.3 EPR signal and no evidence of anti-ferromagnetic spin-coupling. A model is proposed for the disproportionation of H{sub 2}O{sub 2} by [Fe{sup II}/Fe{sup II}]-ADE that involves the cycling of the binuclear metal center between the di-ferric and di-ferrous oxidation states. Oxygenation of active site residues occurs via release of hydroxyl radicals. These findings represent the first report of redox reaction catalysis by any member of the AHS.« less

Aluminium substitution in iron(II-III)-layered double hydroxides: Formation and cationic order

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

Ruby, Christian; Abdelmoula, Mustapha; Aissa, Rabha

The formation and the modifications of the structural properties of an aluminium-substituted iron(II-III)-layered double hydroxide (LDH) of formula Fe{sub 4}{sup II}Fe{sub (2-6y)}{sup III}Al{sub 6y}{sup III} (OH){sub 12} SO{sub 4}, 8H{sub 2}O are followed by pH titration curves, Moessbauer spectroscopy and high-resolution X-ray powder diffraction using synchrotron radiation. Rietveld refinements allow to build a structural model for hydroxysulphate green rust, GR(SO{sub 4}{sup 2-}), i.e. y=0, in which a bilayer of sulphate anions points to the Fe{sup 3+} species. A cationic order is proposed to occur in both GR(SO{sub 4}{sup 2-}) and aluminium-substituted hydroxysulphate green rust when y<0.08. Variation of the cellmore » parameters and a sharp decrease in average crystal size and anisotropy are detected for an aluminium content as low as y=0.01. The formation of Al-GR(SO{sub 4}{sup 2-}) is preceded by the successive precipitation of Fe{sup III} and Al{sup III} (oxy)hydroxides. Adsorption of more soluble Al{sup III} species onto the initially formed ferric oxyhydroxide may be responsible for this slowdown of crystal growth. Therefore, the insertion of low aluminium amount (y{approx}0.01) could be an interesting way for increasing the surface reactivity of iron(II-III) LDH that maintains constant the quantity of the reactive Fe{sup II} species of the material. - Graphical abstract: (a) Crystallographical structure of sulphated green rust: SO{sub 4}{sup 2-} point to the Fe{sup 3+} cations (red) that form an ordered array with the Fe{sup 2+} cations (green). (b) Width and asymmetry of the synchrotron XRD peaks increase rapidly when some Al{sup 3+} species substitute the Fe{sup 3+} cations; z is molar ratio Al{sup 3+}/Fe{sup 3+}.« less

Pervasively Altered Hematite-Rich Deposits Southeast of Home Plate, Gusev Crater, Mars

NASA Technical Reports Server (NTRS)

Schroder, C.; Arvidson, R. E.; Schmidt, M. E.; Gellert, R.; Klingelhoefer, G.; Ming, D. W.; Morris, R. V.; Rice, J. W.; Yen, A. S.; deSouza, P. A., Jr.

2008-01-01

The investigation of Home Plate and its surroundings in the Inner Basin of the Columbia Hills in Gusev Crater has added substantially to the water story on Mars. Textural, morphological, and geochemical evidence from Home Plate point towards an explosive origin, probably a hydrovolcanic explosion [1]. High silica deposits in the immediate vicinity of Home Plate suggest hydrothermal alteration [e.g. 2,3]. Pervasively altered deposits rich in hematite were investigated to the southeast of Home Plate. Of these, the target Halley, the target KingGeorgeIsland on the GrahamLand outcrop, and the targets Montalva and Riquelme on the Troll outcrop were investigated in situ with the Alpha Particle X-ray spectrometer (APXS), the Microscopic Imager (MI), and the Moessbauer (MB) spectrometer (Fig. 1).

Two Years of Chemical Sampling on Meridiani Planum by the Alpha Particle X-Ray Spectrometer Onboard the Mars Exploration Rover Opportunity

NASA Technical Reports Server (NTRS)

Bruckner, J.; Gellert, R.; Clark, B.C.; Dreibus, G.; Rieder, R.; Wanke, H.; d'Uston, C.; Economou, T.; Klingelhofer, G.; Lugmair, G.;

Acid Sulfate Alteration in Gusev Crater, Mars

NASA Technical Reports Server (NTRS)

Morris, R. V.; Ming, D. W.; Catalano, J. G.

2016-01-01

The Mars Exploration Rover (MER) Spirit landed on the Gusev Crater plains west of the Columbia Hills in January, 2004, during the Martian summer (sol 0; sol = 1 Martian day = 24 hr 40 min). Spirit explored the Columbia Hills of Gusev Crater in the vicinity of Home Plate at the onset on its second winter (sol approximately 900) until the onset of its fourth winter (sol approximately 2170). At that time, Spirit became mired in a deposit of fined-grained and sulfate-rich soil with dust-covered solar panels and unfavorable pointing of the solar arrays toward the sun. Spirit has not communicated with the Earth since sol 2210 (January, 2011). Like its twin rover Opportunity, which landed on the opposite side of Mars at Meridiani Planum, Spirit has an Alpha Particle X-Ray Spectrometer (APXS) instrument for chemical analyses and a Moessbauer spectrometer (MB) for measurement of iron redox state, mineralogical speciation, and quantitative distribution among oxidation (Fe(3+)/sigma Fe) and coordination (octahedral versus tetrahedral) states and mineralogical speciation (e.g., olivine, pyroxene, ilmenite, carbonate, and sulfate). The concentration of SO3 in Gusev rocks and soils varies from approximately 1 to approximately 34 wt%. Because the APXS instrument does not detect low atomic number elements (e.g., H and C), major-element oxide concentrations are normalized to sum to 100 wt%, i.e., contributions of H2O, CO2, NO2, etc. to the bulk composition care not considered. The majority of Gusev samples have approximately 6 plus or minus 5 wt% SO3, but there is a group of samples with high SO3 concentrations (approximately 30 wt%) and high total iron concentrations (approximately 20 wt%). There is also a group with low total Fe and SO3 concentrations that is also characterized by high SiO2 concentrations (greater than 70 wt%). The trend labeled "Basaltic Soil" is interpreted as mixtures in variable proportions between unaltered igneous material and oxidized and SO3-rich basaltic dust. The Moessbauer parameters are not definitive for mineralogical speciation (other than octahedrally-coordinated Fe(3+) but are consistent with a schwertmannite-like phase (i.e., a nanophase ferric oxide). The high oxidation state and values of Moessbauer parameters (center shift and quadrupole splitting) for the high-SO3 samples imply ferric sulfate (i.e., oxidized sulfur), although the hydration state cannot be constrained. In no case is there an excess of SO3 over available cations (i.e., no evidence for elemental sulfur), and Fe sulfide (pyrite) has been detected in only one Gusev sample. The presence of both high-SiO2 (and low total iron and SO3) and high SO3 (and high total iron as ferric sulfate) can be accommodated by a two-step geochemical model developed with the Geochemist's Workbench. (1) Step 1 is anoxic acid sulfate leaching of Martian basalt at high water-to rock ratios (greater than 70). The result is a high-SiO2 residue0, and anoxic conditions are required to solubilize Fe as Fe(2+). (2) Step 2 is the oxic precipitation of sulfate salts from the leachate. Oxic conditions are required to produce the high concentrations of ferric sulfate with minor Mg-sulfates and no detectable Fe(2+)-sulfates.

To the problem about the origin of lunar maria and continents (Moessbauer investigations)

NASA Technical Reports Server (NTRS)

Malysheva, T. V.

1977-01-01

A comparative study of Mossbauer spectra of regolith returned by the Luna 16 and Luna 20 spacecraft is presented. The Mossbauer spectra of the mare regolith differs significantly for all fractions from the spectra for the same fractions of continental regolith. The total quantity of iron is 1.85 times greater in the mare regolith. There is 2.4 times less olivine in the mare region than in the continental region. The pyroxene component of the mare regolith is less homogeneous in composition (contains more augite and glass) and is present in larger quantities. Ilmenite was found only in the mare regolith. In the continental region, the predominant titanium-containing phase is ulvospinel. The mare regolith contains more metallic iron, which is more finely dispersed and contains less nickel. Troilite is found in the maria region. Based on these differences, it is concluded that the formation of continental rocks occurred at an earlier stage of crystallization from the melt and at higher temperatures and higher partial pressures of oxygen. The mare basalts crystallized from a more reduced magma, apparently in a later process.

Structural and magnetic study of Al{sup 3+} doped Ni{sub 0.75}Zn{sub 0.25}Fe{sub 2−x}Al{sub x}O{sub 4} nanoferrites

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

Wang, L.; Rai, B.K.; Mishra, S.R.

2015-05-15

Graphical abstract: Hyperfine field of individual sites (inset) and weighted average hyperfine field as a function of Al{sup 3+} content for Ni{sub 0.75}Zn{sub 0.25}Fe{sub 2−x}Al{sub x}O{sub 4}. - Highlights: • Grain size reduction with Al{sup 3+} substitution. • Preferred occupancy of Al{sup 3+} at B site for higher Al{sup 3+} content. • Reduction in Ms, Tc, and hyperfine field with increasing Al{sup 3+} content. • Size dependent variation in coercivity. • Changes in isomer shift due to competing effect of volume and substitution. - Abstract: Nanostructured Al{sup 3+} doped Ni{sub 0.75}Zn{sub 0.25}Fe{sub 2−x}Al{sub x}O{sub 4} (x = 0.0, 0.2, 0.4,more » 0.6, 0.8, and 1.0) ferrites were synthesized via the wet chemical method. X-ray diffraction, transmission electron microscopy, and magnetization measurements have been used to investigate the structural and magnetic properties of spinel ferrites calcined at 950 °C. With the doping of Al{sup 3+}, the particle size of Ni{sub 0.75}Zn{sub 0.25}Fe{sub 2−x}Al{sub x}O{sub 4} first increased to 47 nm at x = 0.4 and then decreased down to 37 nm at x = 1. The main two absorption bands in IR spectra were observed around 600 cm{sup −1} and 400 cm{sup −1} corresponding to stretching vibration of tetrahedral and octahedral group Fe{sup 3+}–O{sup 2−}. Saturation magnetization and hyperfine field values decreased linearly with Al{sup 3+} due to magnetic dilution and the relative strengths of Fe–O–Me (Me = Fe, Ni, Zn, and Al) superexchanges. The coercive field showed an inverse dependence on ferrite particle size with minimum value of 82 Oe for x = 0.4. A continuous drop in Curie temperature was observed with the Al{sup 3+} substitution. From the Moessbauer spectral analysis and X-ray diffraction analysis, it is deduced that Al{sup 3+} for x < 0.4 has no obvious preference for either tetrahedral or octahedral site but has a greater preference for the B site for x > 0.4. In nutshell the study presents detailed structural and magnetic, and Moessbauer analysis of Ni{sub 0.75}Zn{sub 0.25}Fe{sub 2−x}Al{sub x}O{sub 4} ferrites.« less

Keepers of the Hematite

NASA Technical Reports Server (NTRS)

2004-01-01

This figure shows spectra taken by the Mars Exploration Rover Opportunity's Moessbauer spectrometer at various spots in 'Eagle Crater.' From top to bottom, the spectra represent soil measurements taken from the center of the crater and out to the rim. The top spectrum taken on sol 56 near the center of the crater shows a basaltic mineral composition and only minor amounts of hematite. Basalts are volcanic minerals and hematite is an iron-bearing mineral often formed in water. Moving closer to the rim, the spectra show increasing amounts of hematite with the 'Punaluu' site containing the highest amounts seen to date on Mars. Only minor basaltic components are seen in this sample.

The corresponding microscopic image of Punaluu shows a high density of 'blueberries,' indicating that these sphere-like grains are responsible for the observed high levels of hematite.

The Trench Throws a Dirt Clod at Scientists

NASA Technical Reports Server (NTRS)

2004-01-01

This picture, obtained by the microscopic imager on NASA's Opportunity rover during sol 24, February 17 PST, shows soil clods exposed in the upper wall of the trench dug by Opportunity's right front wheel on sol 23. The clods were not exposed until the trench was made. The presence of soil clods implies weak bonding between individual soil grains. The chemical agent or mineral that causes the dirt to bind together into a clod, which scientists call the 'bonding agent,' is currently unknown. Moessbauer and alpha particle X-ray spectrometer measurements of this spot, planned for sol 25, might help explain the bonding, which would ultimately help the rover team understand how geological processes vary across the red planet. In any case, the bonds between soil grains here cannot be very strong because the wheel dug down through this layer with little trouble.

Petrography and Origin of the Unique Achondrite GRA 06128 and 06129: Preliminary Results

NASA Technical Reports Server (NTRS)

Treiman, A. H.; Morris, R. V.; Kring, D. A.; Mittlefehldt, D. W.; Jones, J. H.

2008-01-01

GRA 06128 & 06129 are paired achondrites [1], with unique mineral proportions (75% oligoclase), mineral compositions, and oxygen isotope ratios. They appear to represent alkalic igneous rock from a hitherto unsampled differentiated parent body, modified significantly by thermal and shock metamorphism. Samples and Methods: Bulk samples were examined at JSC during splitting for consortium analyses. Microscope and BSE images here are on thick section GRA06128,40. Chemical analyses of minerals were acquired at Johnson Space Center with the Cameca SX100, operated at 15 kV. Feldspar was analyzed with a defocused 5 micron beam @ 5 nA; other minerals were analyzed with a focused beam @ 20 nA. Moessbauer spectra were obtained at ARES, JSC [2]. Intrinsic radioactivity was measured in the low-level counting facility at ARES JSC [3]. An estimated abundance of Al-26 of approx. 70 dpm/kg is within the range determined for eucrites.

Influence of the nature of the ligand on the structure and spectra of boron-containing iron(II) dioximates

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

Pol'shin, E.V.; Trachevskii, V.V.; Tyukhtenko, S.I.

1987-11-01

The Moessbauer (/sup 57/Fe) and NMR (/sup 1/H, /sup 13/C, /sup 11/B) spectra of the macrobicyclic dioximates FeD/sub 3/(BF)/sub 2/, where H/sub 2/D stands for glyoxime, methylglyoxime, 1,2-cyclohexanedione dioxime (Nioxime), furildioxime, and benzil dioxime, have been investigated. The values of the isomer shifts for these compounds range from 0.31 to 0.37 mm/sec relative to sodium nitroprusside, and the Raman scattering ranges from 0.6 to 0.9 for the aliphatic oximes and is equal to approx. 0.2 for the aromatic oximes. The changes in the Raman scattering have been related to the angle of distortion of the trigonal prism. The greatest changesmore » in the /sup 13/C and /sup 1/H NMR spectra are observed for the atoms of the substituents.« less

Catalytic Mechanism and Three-Dimensional Structure of Adenine Deaminase

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

Kamat, S.S.; Swaminathan, S.; Bagaria, A.

2011-03-22

Adenine deaminase (ADE) catalyzes the conversion of adenine to hypoxanthine and ammonia. The enzyme isolated from Escherichia coli using standard expression conditions was low for the deamination of adenine (k{sub cat} = 2.0 s{sup -1}; k{sub cat}/K{sub m} = 2.5 x 10{sup 3} M{sup -1} s{sup -1}). However, when iron was sequestered with a metal chelator and the growth medium was supplemented with Mn{sup 2+} prior to induction, the purified enzyme was substantially more active for the deamination of adenine with kcat and kcat/Km values of 200 s{sup -1} and 5 x 10{sup 5} M{sup -1} s{sup -1}, respectively. Themore » apoenzyme was prepared and reconstituted with Fe{sup 2+}, Zn{sup 2+}, or Mn{sup 2+}. In each case, two enzyme equivalents of metal were necessary for reconstitution of the deaminase activity. This work provides the first example of any member of the deaminase subfamily of the amidohydrolase superfamily to utilize a binuclear metal center for the catalysis of a deamination reaction. [Fe{sup II}/Fe{sup II}]-ADE was oxidized to [Fe{sup III}/Fe{sup III}]-ADE with ferricyanide with inactivation of the deaminase activity. Reducing [Fe{sup III}/Fe{sup III}]-ADE with dithionite restored the deaminase activity, and thus, the diferrous form of the enzyme is essential for catalytic activity. No evidence of spin coupling between metal ions was evident by electron paramagnetic resonance or Moessbauer spectroscopy. The three-dimensional structure of adenine deaminase from Agrobacterium tumefaciens (Atu4426) was determined by X-ray crystallography at 2.2 {angstrom} resolution, and adenine was modeled into the active site on the basis of homology to other members of the amidohydrolase superfamily. On the basis of the model of the adenine-ADE complex and subsequent mutagenesis experiments, the roles for each of the highly conserved residues were proposed. Solvent isotope effects, pH-rate profiles, and solvent viscosity were utilized to propose a chemical reaction mechanism and the identity of the rate-limiting steps.« less

Catalytic Mechanism and Three-Dimensional Structure of Adenine Deaminase

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

S Kamat; A Bagaria; D Kumaran

2011-12-31

Adenine deaminase (ADE) catalyzes the conversion of adenine to hypoxanthine and ammonia. The enzyme isolated from Escherichia coli using standard expression conditions was low for the deamination of adenine (k{sub cat} = 2.0 s{sup -1}; k{sub cat}/K{sub m} = 2.5 x 10{sup 3} M{sup -1} s{sup -1}). However, when iron was sequestered with a metal chelator and the growth medium was supplemented with Mn{sup 2+} prior to induction, the purified enzyme was substantially more active for the deamination of adenine with k{sub cat} and k{sub cat}/K{sub m} values of 200 s{sup -1} and 5 x 10{sup 5} M{sup -1} s{supmore » -1}, respectively. The apoenzyme was prepared and reconstituted with Fe{sup 2+}, Zn{sup 2+}, or Mn{sup 2+}. In each case, two enzyme equivalents of metal were necessary for reconstitution of the deaminase activity. This work provides the first example of any member of the deaminase subfamily of the amidohydrolase superfamily to utilize a binuclear metal center for the catalysis of a deamination reaction. [Fe{sup II}/Fe{sup II}]-ADE was oxidized to [Fe{sup III}/Fe{sup III}]-ADE with ferricyanide with inactivation of the deaminase activity. Reducing [Fe{sup III}/Fe{sup III}]-ADE with dithionite restored the deaminase activity, and thus, the diferrous form of the enzyme is essential for catalytic activity. No evidence of spin coupling between metal ions was evident by electron paramagnetic resonance or Moessbauer spectroscopy. The three-dimensional structure of adenine deaminase from Agrobacterium tumefaciens (Atu4426) was determined by X-ray crystallography at 2.2 {angstrom} resolution, and adenine was modeled into the active site on the basis of homology to other members of the amidohydrolase superfamily. On the basis of the model of the adenine-ADE complex and subsequent mutagenesis experiments, the roles for each of the highly conserved residues were proposed. Solvent isotope effects, pH-rate profiles, and solvent viscosity were utilized to propose a chemical reaction mechanism and the identity of the rate-limiting steps.« less

UV-Vis spectroscopy of tyrosine side-groups in studies of protein structure. Part 1: basic principles and properties of tyrosine chromophore.

PubMed

Antosiewicz, Jan M; Shugar, David

Spectroscopic properties of tyrosine residues may be employed in structural studies of proteins. Here we discuss several different types of UV-Vis spectroscopy, like normal, difference and second-derivative UV absorption spectroscopy, fluorescence spectroscopy, linear and circular dichroism spectroscopy, and Raman spectroscopy, and corresponding optical properties of the tyrosine chromophore, phenol, which are used to study protein structure.

UV-Vis spectroscopy of tyrosine side-groups in studies of protein structure. Part 1: basic principles and properties of tyrosine chromophore.

PubMed

Antosiewicz, Jan M; Shugar, David

2016-06-01

Spectroscopic properties of tyrosine residues may be employed in structural studies of proteins. Here we discuss several different types of UV-Vis spectroscopy, like normal, difference and second-derivative UV absorption spectroscopy, fluorescence spectroscopy, linear and circular dichroism spectroscopy, and Raman spectroscopy, and corresponding optical properties of the tyrosine chromophore, phenol, which are used to study protein structure.

The miniaturised Moessbauer spectrometer MIMOS II: future developments.

NASA Astrophysics Data System (ADS)

Rodionov, D.; Blumers, M.; Klingelhöfer, G.; Bernhardt, B.; Fleischer, I.; Schröder, C.; Morris, R.; Girones Lopez, J.

2007-08-01

In January 2004, the first in situ extraterrestrial Mössbauer spectrum was received from the Martian surface. At the present time (May 2007) two Miniaturized Mössbauer Spectrometers (MIMOS II) on board of the two Mars Exploration Rovers "Spirit" and "Opportunity" continue to collect valuable scientific data. Both spectrometers are operational after more than 3 years of work. Originally, the mission was expected to last for 90 days. To date more than 600 spectra were obtained with a total integration time for both rovers exceeding 260 days. The MER mission has proven that Mössbauer spectroscopy is a valuable technique for the in situ exploration of extraterrestrial bodies and the study of Fe-bearing samples. The Mössbauer team at the University of Mainz has accumulated a lot of experience and learned many lessons during last three years. All that makes MIMOS II a feasible choice for the future missions to Mars and other targets. Currently MIMOS II is on the scientific payload of two missions: Phobos Grunt (Russian Space Agency) and ExoMars (European Space Agency). Phobos Grunt is scheduled to launch in 2009. The main goals of the mission are: a) Phobos regolith sample return, b) Phobos in situ study, c) Mars and Phobos remote sensing. MIMOS II will be installed on the arm of a landing module. Currently, we are manufacturing an engineering model for testing purposes. The ESA "ExoMars" mission involves the development of a MER-like rover with more complex scientific payload (Pasteur exobiology instruments, including a drilling system). Its aim is to further characterise the biological environment in preparation for robotic missions and eventually human exploration. Data from the mission will provide invaluable input to the field of exobiology - the study of the origin, the evolution and distribution of life in the universe. The launch date is scheduled for 2013. Like on MER, the MIMOS II instrument will be mounted on a robotic arm. Advanced and improved version of MIMOS II instrument is under development for those and other future missions. The new design includes additional mass reduction (total mass is planned to be ~320 g). The dimensions of the electronic-board will be minimized by using state of the art digital electronics. A new ring-detector system (Si- Drift detectors) will be used, thus greatly improving energy resolution. We expect an energy resolution of around 140-160 eV for temperatures lower than 250 K. This will increase the signal to noise ratio by a factor of 10 and, therefore, integration times will be reduced significantly. In addition to the Mössbauer data, simultaneous acquisition of an X-ray fluorescence spectrum will be possible, thus providing data on a sample's elemental composition. New firmware will be developed to optimize the instrument's performance.

Iron-rich Oxides at the Core-mantle Boundary

NASA Astrophysics Data System (ADS)

Wicks, J. K.; Jackson, J. M.; Sturhahn, W.; Bower, D. J.; Zhuravlev, K. K.; Prakapenka, V.

2013-12-01

Seismic observations near the base of the core-mantle boundary (CMB) have detected 5-20 km thick patches in which the seismic wave velocities are reduced by up to 30%. These ultra-low velocity zones (ULVZs) have been interpreted as aggregates of partially molten material (e.g. Williams and Garnero 1996, Hernlund and Jellinek, 2010) or as solid, iron-enriched residues (e.g. Knittle and Jeanloz, 1991; Mao et al., 2006; Wicks et al., 2010), typically based on proposed sources of velocity reduction. The stabilities of these structure types have been explored through dynamic models that have assembled a relationship between ULVZ stability and density (Hernlund and Tackley, 2007; Bower et al., 2010). Now, to constrain the chemistry and mineralogy of ULVZs, more information is needed on the relationship between density and sound velocity of candidate phases. We present the pressure-volume-temperature equation of state of (Mg0.06 57Fe0.94)O determined up to pressures of 120 GPa and temperatures of 2000 K. Volume was measured with X-ray diffraction at beamline 13-ID-D of the Advanced Photon Source (APS), where high pressures and temperatures are achieved in a diamond anvil cell with in-situ laser heating. Sample assemblies were prepared using dehydrated NaCl as an insulator and neon as a pressure transmitting medium. We present results with and without iron as a buffer and thermal pressure gauge. We have also determined the room temperature Debye velocity (VD) of (Mg0.06 57Fe0.94)O using nuclear resonant inelastic x-ray scattering and in-situ X-ray diffraction, up to 80 GPa at 3-ID-B of the APS. The effect of the electronic environment of the iron sites on the velocities was tracked in-situ using synchrotron Moessbauer spectroscopy. Using our measured equation of state, the seismically relevant compressional (VP) and shear (VS) wave velocities were calculated from the Debye velocities. We combine these studies with a simple mixing model to predict the properties of a solid ULVZ and show that a small amount of iron-rich (Mg,Fe)O can greatly reduce the average sound velocity of an aggregate assemblage. When combined with a geodynamic model of a solid ULVZ (Bower et al., 2011), we can directly correlate inferred sound velocities to mineralogy and predicted ULVZ shapes. In this presentation, our combined geodynamic and mineral physics model of a solid ULVZ will be used to explore the relationship between the observed sound velocities and mineralogy of ULVZs with added insight into ULVZ morphology.

In Situ Resource Utilization (ISRU) on the Moon: Moessbauer Spectroscopy as a Process Monitor for Oxygen Production. Results from a Field Test on Mauna Kea Volcano, Hawaii

NASA Technical Reports Server (NTRS)

Morris, R.V.; Schroder, C.; Graff, T.G.; Sanders, G.B.; Lee, K.A.; Simon, T.M.; Larson, W.E.; Quinn, J.W.; Clark, L.D.; Caruso, J.J.

2009-01-01

Essential consumables like oxygen must to be produced from materials on the lunar surface to enable a sustained, long-term presence of humans on the Moon. The Outpost Precursor for ISRU and Modular Architecture (OPTIMA) field test on Mauna Kea, Hawaii, facilitated by the Pacific International Space Center for Exploration Systems (PISCES) of the University of Hawaii at Hilo, was designed to test the implementation of three hardware concepts to extract oxygen from the lunar regolith: Precursor ISRU Lunar Oxygen Testbed (PILOT) developed by Lockheed Martin in Littleton, CO; Regolith & Environmental Science and Oxygen & Lunar Volatiles Extraction (RESOLVE) developed at the NASA Kennedy Space Center in Cape Canaveral, FL; and ROxygen developed at the NASA Johnson Space Center in Houston, TX. The three concepts differ in design, but all rely on the same general principle: hydrogen reduction of metal cations (primarily Fe2+) bonded to oxygen to metal (e.g., Fe0) with the production of water. The hydrogen source is residual hydrogen in the fuel tanks of lunar landers. Electrolysis of the water produces oxygen and hydrogen (which is recycled). We used the miniaturized M ssbauer spectrometer MIMOS II to quantify the yield of this process on the basis of the quantity of Fe0 produced. Iron M ssbauer spectroscopy identifies iron-bearing phases, determines iron oxidation states, and quantifies the distribution of iron between mineral phases and oxidation states. The oxygen yield can be calculated by quantitative measurements of the distribution of Fe among oxidation states in the regolith before and after hydrogen reduction. A M ssbauer spectrometer can also be used as a prospecting tool to select the optimum feedstock for the oxygen production plants (e.g., high total Fe content and easily reduced phases). As a demonstration, a MIMOS II backscatter spectrometer (SPESI, Germany) was mounted on the Cratos rover (NASA Glenn Research Center in Cleveland, OH), which is one of several rover concepts designed to excavate and transfer regolith to the stationary hydrogen reduction plants. Spaceflight versions of the MIMOS II are part of the instrument payloads of NASA s Mars Exploration Rovers and still operating five years after landing on the surface of the planet. MIMOS II was also selected for Phobos-Grunt, a Russian sample return mission to the martian moon Phobos scheduled to launch in 2009, and ESA s ExoMars rover, an exobiology mission scheduled to launch in 2013. An advanced version of the instrument is currently under development. A new detector system with a higher energy resolution will not only reduce the necessary measurement time considerably, but also allow the simultaneous acquisition of an X-ray fluorescence spectrum to determine the elemental composition of samples.

Layered Outcrops in Gusev Crater

NASA Technical Reports Server (NTRS)

2004-01-01

NASA's Mars Exploration Rover Spirit collected data on morphology, composition, and mineralogy of a rock nicknamed 'Tetl' using the microscopic imager, the alpha particle X-ray spectrometer, and the Moessbauer spectrometer before moving on. Scientists are discussing a suggestion that this rock outcrop and others on the 'West Spur' of the 'Columbia Hills' in Gusev Crater on Mars may contain evidence of graded bedding, in which alternate layers of sediment are either coarser or finer depending on the turbulence of the processes that deposited them. Such layers could be deposited by water circulating in rivers or lakes, volcanic ash settling on the surface, wind carrying fine-grained sediments, or a combination of these processes. This view is a mosaic of images that Spirit took with its microscopic imager on the rover's 272nd and 273rd martian days, or sols (Oct. 7 and 8, 2004). It has been enhanced to bring out details in the shadows without washing out sunlit areas. The section of rock shown here is approximately 17 centimeters (6.7 inches) wide.

Consortium study of the unusual H chondrite regolith breccia, Noblesville

NASA Technical Reports Server (NTRS)

Lipschutz, Michael E.; Wolf, Stephen F.; Vogt, Stephan; Michlovich, Edward; Lindstrom, Marilyn M.; Zolensky, Michael E.; Mittlefehldt, David W.; Satterwhite, Cecilia; Schultz, Ludolf; Loeken, Thomas

1993-01-01

The Noblesville meteorite is a genomict, regolith breccia (H6 clasts in H4 matrix). Moessbauer analysis confirms that Noblesville is unusually fresh, not surprising in view of its recovery immediately after its fall. It resembles 'normal' H4-6 chondrites in its chemical composition and induced thermoluminescence (TL) levels. Thus, at least in its contents of volatile trace elements, Noblesville differs from other H chondrite, class A regolith breccias. Noblesville's small pre-atmospheric mass and fall near solar maximum and/or its peculiar orbit (with perihelion less than 0.8 AU as shown by natural TL intensity) may partly explain its levels of cosmogenic radionuclides. Its cosmic ray exposure age of about 44 Ma is long, is equalled or exceeded by less than 3 percent of all H chondrites, and also differs from the 33 +/- 3 Ma mean exposure age peak of other H chondrite regolith breccias. While Noblesville is now among the chondritic regolithic breccias richest in solar gases, elemental ratios indicate some loss, especially of He, perhaps by impacts in the regolith that heated individual grains. While general shock-loading levels in Noblesville did not exceed 4 GPa, individual clasts record shock levels of 5-10 GPa, doubtless acquired prior to lithification of the whole-rock meteoroid.

a Moessbauer Effect and Fenske-Hall Molecular Orbital Study of the Electronic Properties of Organoiron Clusters.

NASA Astrophysics Data System (ADS)

Buhl, Margaret Linn

The electronic properties of trinuclear iron, tetranuclear iron butterfly, iron-cobalt, and iron-copper clusters have been studied experimentally at 78K by the Mossbauer effect and theoretically by Fenske-Hall molecular orbital calculations. The Mossbauer effect isomer shift is very sensitive to the differences in the iron s-electron densities in these clusters and, as expected, decreases as the sum of the iron 4s Mulliken population and the Clementi and Raimondi effective nuclear charge increases. The molecular orbital wave functions and the Mulliken atomic charges are used to calculate the electric field gradient at the metal nuclei and the iron Mossbauer effect quadrupole splittings. The valence contribution was found to be the major component of the electric field gradient in all the clusters studied. In general the calculated value of Delta E_ {Q} is larger than the observed value, as a result of neglect of the valence Sternheimer factor, R. The metal charge depends upon its electronegativity and upon the nature of its Lewis base ligands. The carbonyl ligand carbon charge becomes more positive as the metal electronegativity increases. The oxygen charge becomes more negative as the anionic cluster charge increases, and in so doing, yields the maximum anionic charge separation. The electronic properties of the terminal carbonyl ligands are similar to those of carbon monoxide, whereas the electronic properties of the bridging carbonyl ligands are similar to those of the carbonyl group found in aldehydes and ketones.

UV-Vis spectroscopy of tyrosine side-groups in studies of protein structure. Part 2: selected applications.

PubMed

Antosiewicz, Jan M; Shugar, David

In Part 2 we discuss application of several different types of UV-Vis spectroscopy, such as normal, difference, and second-derivative UV absorption spectroscopy, fluorescence spectroscopy, linear and circular dichroism spectroscopy, and Raman spectroscopy, of the side-chain of tyrosine residues in different molecular environments. We review the ways these spectroscopies can be used to probe complex protein structures.

UV-Vis spectroscopy of tyrosine side-groups in studies of protein structure. Part 2: selected applications.

PubMed

Antosiewicz, Jan M; Shugar, David

2016-06-01

In Part 2 we discuss application of several different types of UV-Vis spectroscopy, such as normal, difference, and second-derivative UV absorption spectroscopy, fluorescence spectroscopy, linear and circular dichroism spectroscopy, and Raman spectroscopy, of the side-chain of tyrosine residues in different molecular environments. We review the ways these spectroscopies can be used to probe complex protein structures.

Relevance of supramolecular interactions, texture and lattice occupancy in the designer iron(II) spin crossover complexes

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

Naik, Anil D.; Tinant, Bernard; Muffler, Kai

New Fe{sup II} complexes of formula [Fe(3-Br-phen){sub 2}(NCS){sub 2}].Solvent (Solvent=0.5 CH{sub 3}OH (1), 2 CH{sub 2}Cl{sub 2} (2), desolvation of 2 (3), 0.5 CH{sub 3}COCH{sub 3} (4) and 0 (5)) have been synthesized. {sup 57}Fe Moessbauer and magnetic investigation reveal unique features atypical of classic [Fe(phen){sub 2}(NCS){sub 2}] polymorphs. Complex 1, prepared by precipitation in MeOH, undergoes upon cooling below room temperature an incomplete and gradual thermally induced spin conversion, while 4 prepared by an extraction method remains mostly in the low-spin state. The non solvated compounds 3 and 5, display a more abrupt spin crossover on cooling around T{submore » 1/2}=175 K and T{sub 1/2}=198 K, respectively. Defects/soft lattice inclusion due to different methods of material synthesis, extent of aging, reaction medium and associated solvent molecules have enormous influence on the particle size and magnetic properties of these complexes. Scanning electron micrographs helps to establish a logical relationship among methods employed for synthesis, texture of materials and their effect on magnetic properties. The crystal structure of 2 determined in the monoclinic space group P2/c (100 K) reveals a mononuclear complex consisting of a distorted FeN{sub 6} octahedron in the low-spin state, constructed from two 3-bromo-1, 10-phenanthroline and two isothiocyanato anions in cis position. Intermolecular interactions between mononuclear units of the S...Br, S...C(H) and pi-pi type afford a 2D supramolecular network. DFT calculations for the single molecule 2 reveals an energy difference between high-spin and low-spin isomers of 7 kJ/mol suggesting a slight destabilization of the low-spin state compared to [Fe(phen){sub 2}(NCS){sub 2}]. Normal co-ordinate analysis was also carried out for 3 and compared with experimental temperature dependent Raman spectra for 5. - Graphical abstract: New Fe{sup II} complexes of formula [Fe(3-Br-phen){sub 2}(NCS){sub 2}].Solvent have been synthesized by precipitation (1) and extraction (4) methods. {sup 57}Fe Moessbauer and magnetic investigation reveal unique features atypical of classic [Fe(phen){sub 2}(NCS){sub 2}] polymorphs. Complex 1, undergoes upon cooling below room temperature an incomplete and gradual thermally induced spin conversion, while 4 remains mostly in the low-spin state. Role of supramolecular interactions, particles size, lattice solvents have profound influence on magnetic properties.« less

Study and application of new Raman spectroscopy

NASA Astrophysics Data System (ADS)

Liu, Qiushi; Zhang, Xiaohua

2016-03-01

Spatially Offset Raman Spectroscopy (SORS) is a new type of Raman Spectroscopy technology, which can detect the medium concealed in the opaque or sub-transparent material fast and nondestructively. The article summarized Spatially Offset Raman Spectroscopy`s international and domestic study and application progress on contraband detecting, medical science (bone ingredient, cancer diagnose etc.), agricultural products, historical relic identification etc. and stated the technology would become an effective measurement which had wide application prospect.

Study of clusters using negative ion photodetachment spectroscopy

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

Zhao, Yuexing

1995-12-01

The weak van der Waals interaction between an open-shell halogen atom and a closed-shell atom or molecule has been investigated using zero electron kinetic energy (ZEKE) spectroscopy. This technique is also applied to study the low-lying electronic states in GaAs and GaAs -. In addition, the spectroscopy and electron detachment dynamics of several small carbon cluster anions are studied using resonant multiphoton detachment spectroscopy.

Chemical Studies of Free Radical Relocalization

DTIC Science & Technology

2015-01-13

Park, NC 27709-2211 combustion intermediates, rel;ocalization, infrared spectroscopy , computational quantum chemistry REPORT DOCUMENTATION PAGE 11...organotransition metal catalysis are underway. Summary of important results: I. Laboratory Spectroscopy of Gas-phase Hydrocarbon Radicals. We have carried out line...combination of gas-phase laboratory spectroscopy , photochemical studies, and ab initio computations. (1) Spectroscopy . Survey scans between 1800 and

Positron Annihilation Ratio Spectroscopy Study of Electric Fields Applied to Positronium at Material Interfaces

DTIC Science & Technology

2011-03-01

from 142 ns to a few ns [3:3]. Through the application of positron annihilation lifetime spectroscopy (PALS) on a material, the o-Ps lifetime can be...Force Base, Ohio APPROVED FOR PUBLIC RELEASE; DISTRIBUTION UNLIMITED. POSITRON ANNIHILATION RATIO SPECTROSCOPY STUDY OF ELECTRIC FIELDS APPLIED TO...protection in the United States. AFIT/GNE/ENP/11-M19 POSITRON ANNIHILATION RATIO SPECTROSCOPY STUDY OF ELECTRIC FIELDS APPLIED TO POSITRONIUM AT

Positron Annihilation Ratio Spectroscopy (PsARS) Applied to Positronium Formation Studies

DTIC Science & Technology

2010-03-01

POSITRON ANNIHILATION RATIO SPECTROSCOPY (PsARS) APPLIED TO POSITRONIUM FORMATION STUDIES THESIS...AFIT/GNE/ENP/10-M07 POSITRON ANNIHILATION RATIO SPECTROSCOPY (PsARS) APPLIED TO POSITRONIUM FORMATION STUDIES ...lifetime studies in local electric field experiments. High local electric fields can polarize a positron -electron pair, which may result in an extended

Polyaniline decorated Bi2MoO6 nanosheets with effective interfacial charge transfer as photocatalysts and optical limiters.

PubMed

Zhao, Wei; Li, Cheng; Wang, Aijian; Lv, Cuncai; Zhu, Weihua; Dou, Shengping; Wang, Qian; Zhong, Qin

2017-11-01

Polyaniline (PANI)-decorated Bi 2 MoO 6 nanosheets (BMO/PANI) were prepared by a facile solvothermal method. Different characterization techniques, including X-ray powder diffraction, scanning electron microscopy, transmission electron microscopy, Raman spectroscopy, Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy, diffuse reflectance ultraviolet-visible spectroscopy, photoluminescence spectroscopy, electrochemical impedance spectroscopy, photocurrent spectroscopy, and nanosecond time-resolved emission studies, have been employed to investigate the structure, optical and electrical properties of the BMO/PANI composites. The wide absorption of the samples in the visible light region makes them suitable for nonlinear transmission and photocatalytic activity studies. The associated photocatalytic activity and optical nonlinearities for the BMO/PANI composites are shown to be dependent on the PANI loadings. The rational mechanisms responsible for deteriorating pollutants and improving optical nonlinearities were also proposed, which could be mainly attributed to the efficient interfacial charge transfer and the interfacial electronic interactions between PANI and Bi 2 MoO 6 . The photoluminescence spectroscopy, electrochemical impedance spectroscopy, and photocurrent spectroscopy studies confirmed that the interface charge separation efficiency was greatly improved by coupling Bi 2 MoO 6 with PANI. The tuning of photocatalysis and nonlinear optical behaviors with variation in the content of PANI provides an easy way to attain tunable properties, which are exceedingly required in optoelectronics applications.

Effect of some metal chlorides on the transformation of pyrite to pyrrhotite

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

Shiley, R.H.; Konopka, K.L.; Hinckley, C.C.

1982-08-01

Samples of the iron-sulfide mineral pyrrhotite were prepared using a procedure designed to closely model the pyrite-to-pyrrhotite conversion that occurs during coal-conversion processing. Pyrite mixed with graphite converts to mixtures of monoclinic and hexagonal pyrrhotite when heated at 500C for 4.5 hours, and an iron-rich pyrrhotite (Fe10S11) forms at 600 to 700C. In addition to temperature effects, the pyrrhotites formed from pyrite in graphite are also dependent on additives or impurities in the form of metal salts. The pyrrhotites used in this study were prepared in the presence of selected transition metal chlorides: PdCl2, NiCl2, CoCl2, ZnCl2, MoCl5, and ZrCl4.more » When these metal salts were used, pyrrhotites with an increased number of iron vacancies were produced. For example, in the presence of ZrCl4 at temperatures as high as 700C, a pyrrhotite was produced that exhibited Moessbauer magnetic-splitting values characteristic of pyrrhotite with a high number of iron vacancies (iron-poor). These pyrrhotites were then converted to troilite at 400C in the presence of CO and H2; and this troilite is an active catalyst for the Fischer-Tropsch synthesis, alkene hydrogenation, the Boudouard reaction, the water-gas shift reaction, and the hydrodesulfurization of organic sulfur compounds.« less

Photoelectron photoion molecular beam spectroscopy

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

Trevor, D.J.

1980-12-01

The use of supersonic molecular beams in photoionization mass spectroscopy and photoelectron spectroscopy to assist in the understanding of photoexcitation in the vacuum ultraviolet is described. Rotational relaxation and condensation due to supersonic expansion were shown to offer new possibilities for molecular photoionization studies. Molecular beam photoionization mass spectroscopy has been extended above 21 eV photon energy by the use of Stanford Synchrotron Radiation Laboratory (SSRL) facilities. Design considerations are discussed that have advanced the state-of-the-art in high resolution vuv photoelectron spectroscopy. To extend gas-phase studies to 160 eV photon energy, a windowless vuv-xuv beam line design is proposed.

Vibrational spectroscopy

Treesearch

Umesh P. Agarwal; Rajai Atalla

2010-01-01

Vibrational spectroscopy is an important tool in modern chemistry. In the past two decades, thanks to significant improvements in instrumentation and the development of new interpretive tools, it has become increasingly important for studies of lignin. This chapter presents the three important instrumental methods-Raman spectroscopy, infrared (IR) spectroscopy, and...

Admittance spectroscopy or deep level transient spectroscopy: A contrasting juxtaposition

NASA Astrophysics Data System (ADS)

Bollmann, Joachim; Venter, Andre

2018-04-01

A comprehensive understanding of defects in semiconductors remains of primary importance. In this paper the effectiveness of two of the most commonly used semiconductor defect spectroscopy techniques, viz. deep level transient spectroscopy (DLTS) and admittance spectroscopy (AS) are reviewed. The analysis of defects present in commercially available SiC diodes shows that admittance spectroscopy allows the identification of deep traps with reduced measurement effort compared to deep Level Transient Spectroscopy (DLTS). Besides the N-donor, well-studied intrinsic defects were detected in these diodes. Determination of their activation energy and defect density, using the two techniques, confirm that the sensitivity of AS is comparable to that of DLTS while, due to its well defined peak shape, the spectroscopic resolution is superior. Additionally, admittance spectroscopy can analyze faster emission processes which make the study of shallow defects more practical and even that of shallow dopant levels, possible. A comparative summary for the relevant spectroscopic features of the two capacitance methods are presented.

Study of irradiated Hadfield steel using transmission Mössbauer spectroscopy with high velocity resolution and conversion electron Mössbauer spectroscopy

NASA Astrophysics Data System (ADS)

Semionkin, V. A.; Neshev, F. G.; Tsurin, V. A.; Milder, O. B.; Oshtrakh, M. I.

2010-03-01

Proton irradiated Hadfield steel foil was studied using transmission Mössbauer spectroscopy with high velocity resolution and conversion electron Mössbauer spectroscopy. It was shown that proton irradiation leads to structural changes in the foil as well as to surface oxidation with ferric hydrous oxide formation (ferrihydrite). Moreover, oxidation on the foil underside was higher than on the foil right side.

MER Telemetry Processor

NASA Technical Reports Server (NTRS)

Lee, Hyun H.

2012-01-01

MERTELEMPROC processes telemetered data in data product format and generates Experiment Data Records (EDRs) for many instruments (HAZCAM, NAVCAM, PANCAM, microscopic imager, Moessbauer spectrometer, APXS, RAT, and EDLCAM) on the Mars Exploration Rover (MER). If the data is compressed, then MERTELEMPROC decompresses the data with an appropriate decompression algorithm. There are two compression algorithms (ICER and LOCO) used in MER. This program fulfills a MER specific need to generate Level 1 products within a 60-second time requirement. EDRs generated by this program are used by merinverter, marscahv, marsrad, and marsjplstereo to generate higher-level products for the mission operations. MERTELEPROC was the first GDS program to process the data product. Metadata of the data product is in XML format. The software allows user-configurable input parameters, per-product processing (not streambased processing), and fail-over is allowed if the leading image header is corrupted. It is used within the MER automated pipeline. MERTELEMPROC is part of the OPGS (Operational Product Generation Subsystem) automated pipeline, which analyzes images returned by in situ spacecraft and creates level 1 products to assist in operations, science, and outreach.

Lunar and Planetary Science XXXV: Weird Martian Minerals: Complex Mars Surface Processes

NASA Technical Reports Server (NTRS)

2004-01-01

The session "Complex Mars Surface" included the following reports:A Reappraisal of Adsorbed Superoxide Ion as the Cause Behind the Reactivity of the Martian Soils; Sub-Surface Deposits of Hydrous Silicates or Hydrated Magnesium Sulfates as Hydrogen Reservoirs near the Martian Equator: Plausible or Not?; Thermal and Evolved Gas Analysis of Smectites: The Search for Water on Mars; Aqueous Alteration Pathways for K, Th, and U on Mars; Temperature Dependence of the Moessbauer Fraction in Mars-Analog Minerals; Acid-Sulfate Vapor Reactions with Basaltic Tephra: An Analog for Martian Surface Processes; Iron Oxide Weathering in Sulfuric Acid: Implications for Mars; P/Fe as an Aquamarker for Mars; Stable Isotope Composition of Carbonates Formed in Low-Temperature Terrestrial Environments as Martian Analogs; Can the Phosphate Sorption and Occlusion Properties Help to Elucidate the Genesis of Specular Hematite on the Mars Surface?; Sulfate Salts, Regolith Interactions, and Water Storage in Equatorial Martian Regolith; Potential Pathways to Maghemite in Mars Soils: The Key Role of Phosphate; and Mineralogy, Abundance, and Hydration State of Sulfates and Chlorides at the Mars Pathfinder Landing Site.

Looking for Changes in Soil over Time

NASA Technical Reports Server (NTRS)

2006-01-01

The grinding teeth have worn away on the rock abrasion tool of NASA's Mars Exploration Rover Spirit (after exposing interiors of five time more rock targets than its design goal of three rocks) but the tool still has useful wire bristles for brushing targets. In this image, a figure-eight-like imprint in the Martian soil marks the spot where Spirit has begun examining subsurface deposits layer by layer. The circular indentations resulted from brushing by the rock abrasion tool, one of several instruments on the rover's robotic arm. As an effective brushing tool it is now fulfilling a soil profiling experiment on a target called 'Progress.'

The experiment is a multi-step process of carefully brushing away fine layers of soil and then using the Moessbauer and alpha particle X-ray spectrometers, microscopic imager, and panoramic camera to examine the exposed surfaces during the long Martian winter.

This view is a mosaic of exposures taken by Spirit's microscopic imager during the rover's 830th Martian day (May 4, 2006). The total area shown is about 6 centimeters (2.4 inches) square.

A study on the anisole-water complex by molecular beam-electronic spectroscopy and molecular mechanics calculations.

PubMed

Becucci, M; Pietraperzia, G; Pasquini, M; Piani, G; Zoppi, A; Chelli, R; Castellucci, E; Demtroeder, W

2004-03-22

An experimental and theoretical study is made on the anisole-water complex. It is the first van der Waals complex studied by high resolution electronic spectroscopy in which the water is seen acting as an acid. Vibronically and rotationally resolved electronic spectroscopy experiments and molecular mechanics calculations are used to elucidate the structure of the complex in the ground and first electronic excited state. Some internal dynamics in the system is revealed by high resolution spectroscopy. (c) 2004 American Institute of Physics

Development of a neurofeedback protocol targeting the frontal pole using near-infrared spectroscopy.

PubMed

Kinoshita, Akihide; Takizawa, Ryu; Yahata, Noriaki; Homae, Fumitaka; Hashimoto, Ryuichiro; Sakakibara, Eisuke; Kawasaki, Shingo; Nishimura, Yukika; Koike, Shinsuke; Kasai, Kiyoto

2016-11-01

Neurofeedback has been studied with the aim of controlling cerebral activity. Near-infrared spectroscopy is a non-invasive neuroimaging technique used for measuring hemoglobin concentration changes in cortical surface areas with high temporal resolution. Thus, near-infrared spectroscopy may be useful for neurofeedback, which requires real-time feedback of repeated brain activation measurements. However, no study has specifically targeted neurofeedback, using near-infrared spectroscopy, in the frontal pole cortex. We developed an original near-infrared spectroscopy neurofeedback system targeting the frontal pole cortex. Over a single day of testing, each healthy participant (n = 24) received either correct or incorrect (Sham) feedback from near-infrared spectroscopy signals, based on a crossover design. Under correct feedback conditions, significant activation was observed in the frontal pole cortex (P = 0.000073). Additionally, self-evaluation of control and metacognitive beliefs were associated with near-infrared spectroscopy signals (P = 0.006). The neurofeedback system developed in this study might be useful for developing control of frontal pole cortex activation. © 2016 The Authors. Psychiatry and Clinical Neurosciences © 2016 Japanese Society of Psychiatry and Neurology.

Single-voxel and multi-voxel spectroscopy yield comparable results in the normal juvenile canine brain when using 3 Tesla magnetic resonance imaging.

PubMed

Lee, Alison M; Beasley, Michaela J; Barrett, Emerald D; James, Judy R; Gambino, Jennifer M

2018-06-10

Conventional magnetic resonance imaging (MRI) characteristics of canine brain diseases are often nonspecific. Single- and multi-voxel spectroscopy techniques allow quantification of chemical biomarkers for tissues of interest and may help to improve diagnostic specificity. However, published information is currently lacking for the in vivo performance of these two techniques in dogs. The aim of this prospective, methods comparison study was to compare the performance of single- and multi-voxel spectroscopy in the brains of eight healthy, juvenile dogs using 3 Tesla MRI. Ipsilateral regions of single- and multi-voxel spectroscopy were performed in symmetric regions of interest of each brain in the parietal (n = 3), thalamic (n = 2), and piriform lobes (n = 3). In vivo single-voxel spectroscopy and multi-voxel spectroscopy metabolite ratios from the same size and multi-voxel spectroscopy ratios from different sized regions of interest were compared. No significant difference was seen between single-voxel spectroscopy and multi-voxel spectroscopy metabolite ratios for any lobe when regions of interest were similar in size and shape. Significant lobar single-voxel spectroscopy and multi-voxel spectroscopy differences were seen between the parietal lobe and thalamus (P = 0.047) for the choline to N-acetyl aspartase ratios when large multi-voxel spectroscopy regions of interest were compared to very small multi-voxel spectroscopy regions of interest within the same lobe; and for the N-acetyl aspartase to creatine ratios in all lobes when single-voxel spectroscopy was compared to combined (pooled) multi-voxel spectroscopy datasets. Findings from this preliminary study indicated that single- and multi-voxel spectroscopy techniques using 3T MRI yield comparable results for similar sized regions of interest in the normal canine brain. Findings also supported using the contralateral side as an internal control for dogs with brain lesions. © 2018 American College of Veterinary Radiology.

Spectral properties of Dy3+ doped ZnAl2O4 phosphor

NASA Astrophysics Data System (ADS)

Prakash, Ram; Kumar, Sandeep; Mahajan, Rubby; Khajuria, Pooja; Kumar, Vinay; Choudhary, R. J.; Phase, D. M.

2018-05-01

Herein, Dy3+ doped ZnAl2O4 phosphor was synthesized by the solution combustion method. The synthesized phosphor was characterized by X-ray diffraction (XRD), photoluminescence (PL) spectroscopy, UV-Vis spectroscopy and X-ray photoelectron spectroscopy (XPS). The phase purity of the phosphor was confirmed by the XRD studies that showed cubic symmetry of the synthesized phosphor. Under UV excitation (388 nm) the PL emission spectrum of the phosphor shows characteristic transition from the Dy3+ ion. A band gap of 5.2 eV was estimated from the diffused reflectance spectroscopy. The surface properties of the phosphor were studied using the X-ray photoelectron spectroscopy.

Spectroscopic techniques to study the immune response in human saliva

NASA Astrophysics Data System (ADS)

Nepomnyashchaya, E.; Savchenko, E.; Velichko, E.; Bogomaz, T.; Aksenov, E.

2018-01-01

Studies of the immune response dynamics by means of spectroscopic techniques, i.e., laser correlation spectroscopy and fluorescence spectroscopy, are described. The laser correlation spectroscopy is aimed at measuring sizes of particles in biological fluids. The fluorescence spectroscopy allows studying of the conformational and other structural changings in immune complex. We have developed a new scheme of a laser correlation spectrometer and an original signal processing algorithm. We have suggested a new fluorescence detection scheme based on a prism and an integrating pin diode. The developed system based on the spectroscopic techniques allows studies of complex process in human saliva and opens some prospects for an individual treatment of immune diseases.

Laser light-scattering spectroscopy: a new application in the study of ciliary activity.

PubMed Central

Lee, W I; Verdugo, P

1976-01-01

A uniquely precise and simple method to study ciliary activity by laser light-scattering spectroscopy has been developed and validated. A concurrent study of the effect of Ca2+ on ciliary activity in vitro by laser scattering spectroscopy and high speed cinematography has demonstrated that this new method is simpler and as accurate and reproducible as the high speed film technique. PMID:963208

Moessbauer Study of Reduced Putidaredoxin in Zero and Intermediate Applied Fields.

NASA Astrophysics Data System (ADS)

Valentine, Mark

An ('57)Fe Mossbauer investigation of the reduced (S = 1/2) active center of the redox and effector protein, putidaredoxin, is reported. Putidaredoxin is a prototype of a 2Fe-2S protein; it functions as an electron shuttle in a bacterial enzyme system. Several 2Fe-2S proteins, including putidaredoxin, have already been subjected to numerous Mossbauer and magnetic resonance studies, but current understanding of the active center is still very incomplete, and the mechanism of electron transfer is not known. Previous Mossbauer experiments on reduced putidaredoxin, as on most Kramers systems, were restricted to the applied field range .01 - 4T. The intermediate field region 0 - .01T is included here, and a primary goal of this work is to demonstrate the feasibility of those experiments. The analysis of zero field spectra differs from that in applied fields in the following respects: (i) The spectra consist of 64 discrete lines. (ii) The average over all molecular orientations is done explicitly, not numerically. (iii) No generality is lost by taking the magnetic hyperfine terms for both sites to be symmetric and in their principal axis systems. (iv) The spectra are sensitive to weak coupling of S with nearby nuclear moments that become negligible as the applied field is increased. Skew-symmetric contributions to the magnetic hyperfine and electronic Zeeman interactions are often ignored in the literature without justification. Either g or A can be symmetrized by an S transformation, but both g and A can be simultaneously symmetrized if and only if the invariants. (DIAGRAM, TABLE OR GRAPHIC OMITTED...PLEASE SEE DAI). are equal.

Calcium in the Oxygen-Evolving Complex: Structural and Mechanistic Role Determined by X-ray Spectroscopy

PubMed Central

Yachandra, Vittal K.; Yano, Junko

2011-01-01

This review describes the results from X-ray absorption spectroscopy studies that have contributed to an understanding of the role of Ca in the photosynthetic water oxidation reaction. The results include the first Mn, Ca and Sr X-ray spectroscopy studies using Ca or Sr-substituted PS II samples that established the presence of a MnCa heteronuclear structure and its orientation, and the most recent Sr X-ray spectroscopy study using biosynthetically prepared Sr-containing PS II in the various S-states that provide important insights into the requirement for Ca in the mechanism of the Mn4Ca catalytic center. PMID:21524917

Phase-Sensitive Control Of Molecular Dissociation Through Attosecond Pump/Strong-Field Mid-IR Probe Spectroscopy

DTIC Science & Technology

2016-04-15

overarching goal of our program was to develop a novel laser and ion spectroscopy system and to use it for the study of strong-field light-matter...are accelerated into the ion TOF by means of a Fig. I.1 Schematic of ion spectroscopy with two color (EUV + mid-IR) laser fields, as constructed at...Abstract The overarching goal of our program was to develop a novel laser and ion spectroscopy system and to use it for the study of strong-field light

Spectroscopy and astronomy: H3+ from the laboratory to the Galactic center.

PubMed

Oka, Takeshi

2011-01-01

Since the serendipitous discovery of the Fraunhofer spectrum in the Sun in 1814 which initiated spectroscopy and astrophysics, spectroscopy developed hand in hand with astronomy. I discuss my own work on the infrared spectrum of H3+ from its discovery in the laboratory in 1980, in interstellar space in 1996, to recent studies in the Galactic center as an example of astronomical spectroscopy. Its spin-off, the spectroscopy of simple molecular ions, is also briefly discussed.

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.

Raman Spectroscopy Differentiates Each Tissue From the Skin to the Spinal Cord: A Novel Method for Epidural Needle Placement?

PubMed Central

Anderson, T. Anthony; Kang, Jeon Woong; Gubin, Tatyana; Dasari, Ramachandra R.; So, Peter T. C.

2016-01-01

BACKGROUND Neuraxial anesthesia and epidural steroid injection techniques require precise anatomical targeting to ensure successful and safe analgesia. Previous studies suggest that only some of the tissues encountered during these procedures can be identified by spectroscopic methods, and no previous study has investigated the use of Raman, diffuse reflectance, and fluorescence spectroscopies. The authors hypothesized that real-time needle-tip spectroscopy may aid epidural needle placement and tested the ability of spectroscopy to distinguish each of the tissues in the path of neuraxial needles. METHODS For comparison of detection methods, the spectra of individual, dissected ex vivo paravertebral and neuraxial porcine tissues were collected using Raman spectroscopy (RS), diffuse reflectance spectroscopy (DRS), and fluorescence spectroscopy (FS). Real-time spectral guidance was tested using a 2 mm inner diameter fiber optic probe-in-needle device. Raman spectra were collected during the needle’s passage through intact paravertebral and neuraxial porcine tissue and analyzed afterward. The RS tissue signatures were verified as mapping to individual tissue layers using histochemical staining and widefield microscopy. RESULTS Raman spectroscopy revealed a unique spectrum for all ex vivo paravertebral and neuraxial tissue layers; DRS and FS spectra were not distinct for all tissues. Moreover, when accounting for the expected order of tissues, real-time Raman spectra recorded during needle insertion also permitted identification of each paravertebral and neuraxial porcine tissue. CONCLUSIONS This study demonstrates Raman spectroscopy can distinguish the tissues encountered during epidural needle insertion. This technology may prove useful during needle placement by providing evidence of its anatomical localization. PMID:27466032

Fuji apple storage time rapid determination method using Vis/NIR spectroscopy.

PubMed

Liu, Fuqi; Tang, Xuxiang

2015-01-01

Fuji apple storage time rapid determination method using visible/near-infrared (Vis/NIR) spectroscopy was studied in this paper. Vis/NIR diffuse reflection spectroscopy responses to samples were measured for 6 days. Spectroscopy data were processed by stochastic resonance (SR). Principal component analysis (PCA) was utilized to analyze original spectroscopy data and SNR eigen value. Results demonstrated that PCA could not totally discriminate Fuji apples using original spectroscopy data. Signal-to-noise ratio (SNR) spectrum clearly classified all apple samples. PCA using SNR spectrum successfully discriminated apple samples. Therefore, Vis/NIR spectroscopy was effective for Fuji apple storage time rapid discrimination. The proposed method is also promising in condition safety control and management for food and environmental laboratories.

Fuji apple storage time rapid determination method using Vis/NIR spectroscopy

PubMed Central

Liu, Fuqi; Tang, Xuxiang

2015-01-01

Fuji apple storage time rapid determination method using visible/near-infrared (Vis/NIR) spectroscopy was studied in this paper. Vis/NIR diffuse reflection spectroscopy responses to samples were measured for 6 days. Spectroscopy data were processed by stochastic resonance (SR). Principal component analysis (PCA) was utilized to analyze original spectroscopy data and SNR eigen value. Results demonstrated that PCA could not totally discriminate Fuji apples using original spectroscopy data. Signal-to-noise ratio (SNR) spectrum clearly classified all apple samples. PCA using SNR spectrum successfully discriminated apple samples. Therefore, Vis/NIR spectroscopy was effective for Fuji apple storage time rapid discrimination. The proposed method is also promising in condition safety control and management for food and environmental laboratories. PMID:25874818

Raman Spectroscopy of Optically Trapped Single Biological Micro-Particles

PubMed Central

Redding, Brandon; Schwab, Mark J.; Pan, Yong-le

2015-01-01

The combination of optical trapping with Raman spectroscopy provides a powerful method for the study, characterization, and identification of biological micro-particles. In essence, optical trapping helps to overcome the limitation imposed by the relative inefficiency of the Raman scattering process. This allows Raman spectroscopy to be applied to individual biological particles in air and in liquid, providing the potential for particle identification with high specificity, longitudinal studies of changes in particle composition, and characterization of the heterogeneity of individual particles in a population. In this review, we introduce the techniques used to integrate Raman spectroscopy with optical trapping in order to study individual biological particles in liquid and air. We then provide an overview of some of the most promising applications of this technique, highlighting the unique types of measurements enabled by the combination of Raman spectroscopy with optical trapping. Finally, we present a brief discussion of future research directions in the field. PMID:26247952

Using resonance light scattering and UV/vis absorption spectroscopy to study the interaction between gliclazide and bovine serum albumin.

PubMed

Zhang, Qiu-Ju; Liu, Bao-Sheng; Li, Gai-Xia; Han, Rong

2016-08-01

At different temperatures (298, 310 and 318 K), the interaction between gliclazide and bovine serum albumin (BSA) was investigated using fluorescence quenching spectroscopy, resonance light scattering spectroscopy and UV/vis absorption spectroscopy. The first method studied changes in the fluorescence of BSA on addition of gliclazide, and the latter two methods studied the spectral change in gliclazide while BSA was being added. The results indicated that the quenching mechanism between BSA and gliclazide was static. The binding constant (Ka ), number of binding sites (n), thermodynamic parameters, binding forces and Hill's coefficient were calculated at three temperatures. Values for the binding constant obtained using resonance light scattering and UV/vis absorption spectroscopy were much greater than those obtained from fluorescence quenching spectroscopy, indicating that methods monitoring gliclazide were more accurate and reasonable. In addition, the results suggest that other residues are involved in the reaction and the mode 'point to surface' existed in the interaction between BSA and gliclazide. Copyright © 2015 John Wiley & Sons, Ltd. Copyright © 2015 John Wiley & Sons, Ltd.

Sulfur and iron speciation in gas-rich impact-melt glasses from basaltic shergottites determined by microXANES

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

Sutton, S.R.; Rao, M.N.; Nyquist, L.E.

2008-04-28

Sulfur and iron K XANES measurements were made on GRIM glasses from EET 79001. Iron is in the ferrous state. Sulfur speciation is predominately sulfide coordination but is Fe coordinated in Lith B and, most likely, Ca coordinated in Lith A. Sulfur is abundantly present as sulfate near Martian surface based on chemical and mineralogical investigations on soils and rocks in Viking, Pathfinder and MER missions. Jarosite is identified by Moessbauer studies on rocks at Meridian and Gusev, whereas MgSO{sub 4} is deduced from MgO-SO{sub 3} correlations in Pathfinder MER and Viking soils. Other sulfate minerals such as gypsum andmore » alunogen/S-rich aluminosilicates and halides are detected only in martian meteorites such as shergottites and nakhlites using SEM/FE-SEM and EMPA techniques. Because sulfur has the capacity to occur in multiple valence states, determination of sulfur speciation (sulfide/sulfate) in secondary mineral assemblages in soils and rocks near Mars surface may help us understand whether the fluid-rock interactions occurred under oxidizing or reducing conditions. On Earth, volcanic rocks contain measurable quantities of sulfur present as both sulfide and sulfate. Carroll and Rutherford showed that oxidized forms of sulfur may comprise a significant fraction of total dissolved sulfur, if the oxidation state is higher than {approx}2 log fO{sub 2} units relative to the QFM buffer. Terrestrial samples containing sulfates up to {approx}25% in fresh basalts from the Galapagos Rift on one hand and high sulfide contents present in oceanic basalts on the other indicate that the relative abundance of sulfide and sulfate varies depending on the oxygen fugacity of the system. Basaltic shergottites (bulk) such as Shergotty, EET79001 and Zagami usually contain small amounts of sulfur ({approx}0.5%) as pyrrhotite. But, in isolated glass pockets containing secondary salts (known as GRIM glasses) in these meteorites, sulfur is present in high abundance ({approx}1-12%). To determine sulfur speciation (sulfide, sulfate or elemental sulfur) in these glasses, Gooding et al. and Burgess et al. carried out vacuum pyrolysis experiments on these GRIM glasses (also called Lith C) using quadrupole mass-spectrometric methods. They found that the evolved S-bearing gases from these samples consisted of both SO{sub 2} (from sulfate) and H{sub 2}S (from sulfide) in varying proportions. However, as mass-spectrometric studies do not provide details about spatial association of these S-species in these samples, we have studied the spatial distribution of sulfides and sulfates in GRIM glasses using sulfur K micro-XANES techniques in the present study. The microscale speciation of S may have important implications for the Rb-Sr isotope systematics of EET79001 Lith C glasses. In reference to oxidative weathering of surface basalts on Mars yielding secondary iron sulfates, Solberg and Burns examined a GRIM glass in EET79001 by Moessbauer spectroscopic techniques and showed that the percentage of Fe{sup 3+} in Lith C is <2%. They suggested that the Lith C contains very little Fe{sup 3+} despite the occurrence of oxidized sulfate in them, indicating that the conditions leading to the formation of these glasses were insufficiently oxidizing to produce Fe{sup 3+} from Fe{sup 2+} in these glasses. To understand the implications of these observations for the formation of the GRIM glasses, we determined the oxidation state of Fe in the GRIM glasses using Fe K micro-XANES techniques. The S and Fe K micro-XANES measurements were performed on thin sections from EET79001: 506 from Lith A and 507 from Lith B.« less

Transscrotal Near Infrared Spectroscopy as a Diagnostic Test for Testis Torsion in Pediatric Acute Scrotum: A Prospective Comparison to Gold Standard Diagnostic Test Study.

PubMed

Schlomer, Bruce J; Keays, Melise A; Grimsby, Gwen M; Granberg, Candace F; DaJusta, Daniel G; Menon, Vani S; Ostrov, Lauren; Sheth, Kunj R; Hill, Martinez; Sanchez, Emma J; Harrison, Clanton B; Jacobs, Micah A; Huang, Rong; Burgu, Berk; Hennes, Halim; Baker, Linda A

2017-09-01

A rapid test for testicular torsion in children may obviate the delay for testicular ultrasound. In this study we assessed testicular tissue percent oxygen saturation (%StO2) measured by transscrotal near infrared spectroscopy as a diagnostic test for pediatric testicular torsion. This was a prospective comparison to a gold standard diagnostic test study that evaluated near infrared spectroscopy %StO2 readings to diagnose testicular torsion. The gold standard for torsion diagnosis was standard clinical care. From 2013 to 2015 males with acute scrotum for more than 1 month and who were less than 18 years old were recruited. Near infrared spectroscopy %StO2 readings were obtained for affected and unaffected testes. Near infrared spectroscopy Δ%StO2 was calculated as unaffected minus affected reading. The utility of near infrared spectroscopy Δ%StO2 to diagnose testis torsion was described with ROC curves. Of 154 eligible patients 121 had near infrared spectroscopy readings. Median near infrared spectroscopy Δ%StO2 in the 36 patients with torsion was 2.0 (IQR -4.2 to 9.8) vs -1.7 (IQR -8.7 to 2.0) in the 85 without torsion (p=0.004). AUC for near infrared spectroscopy as a diagnostic test was 0.66 (95% CI 0.55-0.78). Near infrared spectroscopy Δ%StO2 of 20 or greater had a positive predictive value of 100% and a sensitivity of 22.2%. Tanner stage 3-5 cases without scrotal edema or with pain for 12 hours or less had an AUC of 0.91 (95% CI 0.86-1.0) and 0.80 (95% CI 0.62-0.99), respectively. In all children near infrared spectroscopy readings had limited utility in diagnosing torsion. However, in Tanner 3-5 cases without scrotal edema or with pain 12 hours or less, near infrared spectroscopy discriminated well between torsion and nontorsion. Copyright © 2017 American Urological Association Education and Research, Inc. Published by Elsevier Inc. All rights reserved.

Raman Spectroscopy.

ERIC Educational Resources Information Center

Gerrard, Donald L.

1984-01-01

Reviews literature on Raman spectroscopy from late 1981 to late 1983. Topic areas include: instrumentation and sampling; liquids and solutions; gases and matrix isolation; biological molecules; polymers; high-temperature and high-pressure studies; Raman microscopy; thin films and surfaces; resonance-enhanced and surface-enhanced spectroscopy; and…

Stabilization of the high coercivity {epsilon}-Fe{sub 2}O{sub 3} phase in the CeO{sub 2}-Fe{sub 2}O{sub 3}/SiO{sub 2} nanocomposites

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

Mantlikova, A., E-mail: mantlikova@fzu.cz; Poltierova Vejpravova, J.; Bittova, B.

2012-07-15

We have investigated the processes leading to the formation of the Fe{sub 2}O{sub 3} and CeO{sub 2} nanoparticles in the SiO{sub 2} matrix in order to stabilize the {epsilon}-Fe{sub 2}O{sub 3} as the major phase. The samples with two different concentrations of the Fe were prepared by sol-gel method, subsequently annealed at different temperatures up to 1100 Degree-Sign C, and characterized by the Moessbauer spectroscopy, Transmission Electron Microscopy (TEM), Powder X-ray Diffraction (PXRD), Energy Dispersive X-ray analysis (EDX) and magnetic measurements. The evolution of the different Fe{sub 2}O{sub 3} phases under various conditions of preparation was investigated, starting with themore » preferential appearance of the {gamma}-Fe{sub 2}O{sub 3} phase for the sample with low Fe concentration and low annealing temperature and stabilization of the major {epsilon}-Fe{sub 2}O{sub 3} phase for high Fe concentration and high annealing temperature, coexisting with the most stable {alpha}-Fe{sub 2}O{sub 3} phase. A continuous increase of the particle size of the CeO{sub 2} nanocrystals with increasing annealing temperature was also observed. - Graphical abstract: The graphical abstract displays the most important results of our work. The significant change of the phase composition due to the variation of preparation conditions is demonstrated. As a result, significant change of the magnetic properties from superparamagnetic {gamma}-Fe{sub 2}O{sub 3} phase with negligible coercivity to the high coercivity {epsilon}-Fe{sub 2}O{sub 3} phase has been observed. Highlights: Black-Right-Pointing-Pointer Research of the stabilization of the high coercivity {epsilon}-Fe{sub 2}O{sub 3} in CeO{sub 2}-Fe{sub 2}O{sub 3}/SiO{sub 2}. Black-Right-Pointing-Pointer Samples with two different concentrations of Fe and three annealing temperatures. Black-Right-Pointing-Pointer Phase transition {gamma}{yields}{epsilon}{yields}({beta}){yields}{alpha} with increasing annealing temperature and particle size. Black-Right-Pointing-Pointer Elimination of the superparamagnetic phases in samples with higher content of Fe. Black-Right-Pointing-Pointer Best conditions for high coercivity {epsilon}-Fe{sub 2}O{sub 3}-higher Fe content and T{sub A}=1100 Degree-Sign C.« less

Identification of anisodamine tablets by Raman and near-infrared spectroscopy with chemometrics.

PubMed

Li, Lian; Zang, Hengchang; Li, Jun; Chen, Dejun; Li, Tao; Wang, Fengshan

2014-06-05

Vibrational spectroscopy including Raman and near-infrared (NIR) spectroscopy has become an attractive tool for pharmaceutical analysis. In this study, effective calibration models for the identification of anisodamine tablet and its counterfeit and the distinguishment of manufacturing plants, based on Raman and NIR spectroscopy, were built, respectively. Anisodamine counterfeit tablets were identified by Raman spectroscopy with correlation coefficient method, and the results showed that the predictive accuracy was 100%. The genuine anisodamine tablets from 5 different manufacturing plants were distinguished by NIR spectroscopy using partial least squares discriminant analysis (PLS-DA) models based on interval principal component analysis (iPCA) method. And the results showed the recognition rate and rejection rate were 100% respectively. In conclusion, Raman spectroscopy and NIR spectroscopy combined with chemometrics are feasible and potential tools for rapid pharmaceutical tablet discrimination. Copyright © 2014 Elsevier B.V. All rights reserved.

A 90-Day Oral Toxicity Study and a 5-Day Metabolism Study of Diisopropyl Methylphosphonate (DIMP) in Mink.

DTIC Science & Technology

1992-06-01

characterized with infrared and ultraviolet/visible spectroscopy , nuclear magnetic resonance analysis and gas and thin-layer chromatography. These...comparison gas chromatographic major peak profile of diisopropyl methylphosphonate. In brief, infrared and ultraviolet/visible spectroscopy and nuclear...An aliquot of this batch was analyzed by MRI, Kansas City, MO. The characterization consisted of determination of physical properties, spectroscopy

Soil profile property estimation with field and laboratory VNIR spectroscopy

USDA-ARS?s Scientific Manuscript database

Diffuse reflectance spectroscopy (DRS) soil sensors have the potential to provide rapid, high-resolution estimation of multiple soil properties. Although many studies have focused on laboratory-based visible and near-infrared (VNIR) spectroscopy of dried soil samples, previous work has demonstrated ...

Near-infrared-excited confocal Raman spectroscopy advances in vivo diagnosis of cervical precancer.

PubMed

Duraipandian, Shiyamala; Zheng, Wei; Ng, Joseph; Low, Jeffrey J H; Ilancheran, Arunachalam; Huang, Zhiwei

2013-06-01

Raman spectroscopy is a unique optical technique that can probe the changes of vibrational modes of biomolecules associated with tissue premalignant transformation. This study evaluates the clinical utility of confocal Raman spectroscopy over near-infrared (NIR) autofluorescence (AF) spectroscopy and composite NIR AF/Raman spectroscopy for improving early diagnosis of cervical precancer in vivo at colposcopy. A rapid NIR Raman system coupled with a ball-lens fiber-optic confocal Raman probe was utilized for in vivo NIR AF/Raman spectral measurements of the cervix. A total of 1240 in vivo Raman spectra [normal (n=993), dysplasia (n=247)] were acquired from 84 cervical patients. Principal components analysis (PCA) and linear discriminant analysis (LDA) together with a leave-one-patient-out, cross-validation method were used to extract the diagnostic information associated with distinctive spectroscopic modalities. The diagnostic ability of confocal Raman spectroscopy was evaluated using the PCA-LDA model developed from the significant principal components (PCs) [i.e., PC4, 0.0023%; PC5, 0.00095%; PC8, 0.00022%, (p<0.05)], representing the primary tissue Raman features (e.g., 854, 937, 1095, 1253, 1311, 1445, and 1654 cm(-1)). Confocal Raman spectroscopy coupled with PCA-LDA modeling yielded the diagnostic accuracy of 84.1% (a sensitivity of 81.0% and a specificity of 87.1%) for in vivo discrimination of dysplastic cervix. The receiver operating characteristic curves further confirmed that the best classification was achieved using confocal Raman spectroscopy compared to the composite NIR AF/Raman spectroscopy or NIR AF spectroscopy alone. This study illustrates that confocal Raman spectroscopy has great potential to improve early diagnosis of cervical precancer in vivo during clinical colposcopy.

Fluorescence spectroscopy for diagnosis of squamous intraepithelial lesions of the cervix.

PubMed

Mitchell, M F; Cantor, S B; Ramanujam, N; Tortolero-Luna, G; Richards-Kortum, R

1999-03-01

To calculate receiver operating characteristic (ROC) curves for fluorescence spectroscopy in order to measure its performance in the diagnosis of squamous intraepithelial lesions (SILs) and to compare these curves with those for other diagnostic methods: colposcopy, cervicography, speculoscopy, Papanicolaou smear screening, and human papillomavirus (HPV) testing. Data from our previous clinical study were used to calculate ROC curves for fluorescence spectroscopy. Curves for other techniques were calculated from other investigators' reports. To identify these, a MEDLINE search for articles published from 1966 to 1996 was carried out, using the search terms "colposcopy," "cervicoscopy," "cervicography," "speculoscopy," "Papanicolaou smear," "HPV testing," "fluorescence spectroscopy," and "polar probe" in conjunction with the terms "diagnosis," "positive predictive value," "negative predictive value," and "receiver operating characteristic curve." We found 270 articles, from which articles were selected if they reported results of studies involving high-disease-prevalence populations, reported findings of studies in which colposcopically directed biopsy was the criterion standard, and included sufficient data for recalculation of the reported sensitivities and specificities. We calculated ROC curves for fluorescence spectroscopy using Bayesian and neural net algorithms. A meta-analytic approach was used to calculate ROC curves for the other techniques. Areas under the curves were calculated. Fluorescence spectroscopy using the neural net algorithm had the highest area under the ROC curve, followed by fluorescence spectroscopy using the Bayesian algorithm, followed by colposcopy, the standard diagnostic technique. Cervicography, Papanicolaou smear screening, and HPV testing performed comparably with each other but not as well as fluorescence spectroscopy and colposcopy. Fluorescence spectroscopy performs better than colposcopy and other techniques in the diagnosis of SILs. Because it also permits real-time diagnosis and has the potential of being used by inexperienced health care personnel, this technology holds bright promise.

Estimation of soil profile properties using field and laboratory VNIR spectroscopy

USDA-ARS?s Scientific Manuscript database

Diffuse reflectance spectroscopy (DRS) soil sensors have the potential to provide rapid, high-resolution estimation of multiple soil properties. Although many studies have focused on laboratory-based visible and near-infrared (VNIR) spectroscopy of dried soil samples, previous work has demonstrated ...

Studies by Near Edge X-ray Absorption Spectroscopies of Bonding Dynamics at the Graphene/Guanine Interface - A Proposal for High Mobility, Organic Graphene Field Effect Transistors

DTIC Science & Technology

2015-07-01

AFRL-AFOSR-UK-TR-2015-0034 Studies by Near Edge X-ray Absorption Spectroscopies of Bonding Dynamics at the Graphene /Guanine...Interface – A Proposal for High Mobility, Organic Graphene Field Effect Transistors Eva Campo BANGOR UNIVERSITY COLLEGE ROAD BANGOR...April 2015 4. TITLE AND SUBTITLE Studies by Near Edge X-ray Absorption Spectroscopies of Bonding Dynamics at the Graphene /Guanine Interface - A

'Diamond Jenness': Before the Grind

NASA Technical Reports Server (NTRS)

2004-01-01

This microscopic imager mosaic of the rock called 'Diamond Jenness' was snapped on sol 177 before NASA's Mars Exploration Rover Opportunity ground into the surface with its rock abrasion tool, or 'Rat.'

Opportunity has bored nearly a dozen holes into the inner walls of 'Endurance Crater.' On sols 177 and 178 (July 23 and July 24, 2004), the rover worked double-duty on Diamond Jenness. Surface debris and the bumpy shape of the rock resulted in a shallow and irregular hole, only about 2 millimeters (0.08 inch) deep. The final depth was not enough to remove all the bumps and leave a neat hole with a smooth floor. This extremely shallow depression was then examined by the rover's alpha particle X-ray spectrometer. On Sol 178, Opportunity's 'robotic rodent' dined on Diamond Jenness once again, grinding almost an additional 5 millimeters (about 0.2 inch). The rover then applied its Moessbauer spectrometer to the deepened hole. This double dose of Diamond Jenness enabled the science team to examine the rock at varying layers. Results from those grindings are currently being analyzed.

The image mosaic is about 6 centimeters (2.4 inches) across.

'Diamond' in 3-D

NASA Technical Reports Server (NTRS)

2004-01-01

This 3-D, microscopic imager mosaic of a target area on a rock called 'Diamond Jenness' was taken after NASA's Mars Exploration Rover Opportunity ground into the surface with its rock abrasion tool for a second time.

Opportunity has bored nearly a dozen holes into the inner walls of 'Endurance Crater.' On sols 177 and 178 (July 23 and July 24, 2004), the rover worked double-duty on Diamond Jenness. Surface debris and the bumpy shape of the rock resulted in a shallow and irregular hole, only about 2 millimeters (0.08 inch) deep. The final depth was not enough to remove all the bumps and leave a neat hole with a smooth floor. This extremely shallow depression was then examined by the rover's alpha particle X-ray spectrometer.

On Sol 178, Opportunity's 'robotic rodent' dined on Diamond Jenness once again, grinding almost an additional 5 millimeters (about 0.2 inch). The rover then applied its Moessbauer spectrometer to the deepened hole. This double dose of Diamond Jenness enabled the science team to examine the rock at varying layers. Results from those grindings are currently being analyzed.

The image mosaic is about 6 centimeters (2.4 inches) across.

'Diamond Jenness': A Tough Grind

NASA Technical Reports Server (NTRS)

2004-01-01

This microscopic imager mosaic of the target area called 'Diamond Jenness' was taken after NASA's Mars Exploration Rover Opportunity ground into the surface with its rock abrasion tool for a second time.

Opportunity has bored nearly a dozen holes into the inner walls of 'Endurance Crater.' On sols 177 and 178 (July 23 and July 24, 2004), the rover worked double-duty on Diamond Jenness. Surface debris and the bumpy shape of the rock resulted in a shallow and irregular hole, only about 2 millimeters (0.08 inch) deep. The final depth was not enough to remove all the bumps and leave a neat hole with a smooth floor. This extremely shallow depression was then examined by the rover's alpha particle X-ray spectrometer.

On Sol 178, Opportunity's 'robotic rodent' dined on Diamond Jenness once again, grinding almost an additional 5 millimeters (about 0.2 inch). The rover then applied its Moessbauer spectrometer to the deepened hole. This double dose of Diamond Jenness enabled the science team to examine the rock at varying layers. Results from those grindings are currently being analyzed.

The image mosaic is about 6 centimeters (2.4 inches) across.

Spirit Begins Third Martian Year

NASA Technical Reports Server (NTRS)

2007-01-01

As it finished its second Martian year on Mars, NASA's Mars Exploration Rover Spirit was beginning to examine a group of angular rocks given informal names corresponding to peaks in the Colorado Rockies. A Martian year the amount of time it takes Mars to complete one orbit around the sun lasts for 687 Earth days. Spirit completed its second Martian year on the rover's 1,338th Martian day, or sol, corresponding to Oct. 8, 2007.

Two days later, on sol 1,340 (Oct. 10, 2007), Spirit used its front hazard-identification camera to capture this wide-angle view of its robotic arm extended to a rock informally named 'Humboldt Peak.' For the rocks at this site on the southern edge of the 'Home Plate' platform in the inner basin of the Columbia Hills inside Gusev Crater, the rover team decided to use names of Colorado peaks higher than 14,000 feet. The Colorado Rockies team of the National League is the connection to the baseball-theme nomenclature being used for features around Home Plate.

The tool facing Spirit on the turret at the end of the robotic arm is the Moessbauer spectrometer.

First X-Ray Diffraction Results from Mars Science Laboratory: Mineralogy of Rocknest Aeolian Bedform at Gale Crater

NASA Technical Reports Server (NTRS)

Bish, D. L.; Blake, D. F.; Vaniman, D. T.; Chipera, S. J.; Sarrazin, P.; Morris, R. V.; Ming, D. W.; Treiman, A. H.; Downs, R. T.; Morrison, S. M.;

Fusing Image Data for Calculating Position of an Object

NASA Technical Reports Server (NTRS)

Huntsberger, Terrance; Cheng, Yang; Liebersbach, Robert; Trebi-Ollenu, Ashitey

2007-01-01

A computer program has been written for use in maintaining the calibration, with respect to the positions of imaged objects, of a stereoscopic pair of cameras on each of the Mars Explorer Rovers Spirit and Opportunity. The program identifies and locates a known object in the images. The object in question is part of a Moessbauer spectrometer located at the tip of a robot arm, the kinematics of which are known. In the program, the images are processed through a module that extracts edges, combines the edges into line segments, and then derives ellipse centroids from the line segments. The images are also processed by a feature-extraction algorithm that performs a wavelet analysis, then performs a pattern-recognition operation in the wavelet-coefficient space to determine matches to a texture feature measure derived from the horizontal, vertical, and diagonal coefficients. The centroids from the ellipse finder and the wavelet feature matcher are then fused to determine co-location. In the event that a match is found, the centroid (or centroids if multiple matches are present) is reported. If no match is found, the process reports the results of the analyses for further examination by human experts.

'Diamond Jenness': Before the Grind

NASA Image and Video Library

2004-08-03

This microscopic imager mosaic of the rock called "Diamond Jenness" was snapped on sol 177 before NASA's Mars Exploration Rover Opportunity ground into the surface with its rock abrasion tool, or "Rat." Opportunity has bored nearly a dozen holes into the inner walls of "Endurance Crater." On sols 177 and 178 (July 23 and July 24, 2004), the rover worked double-duty on Diamond Jenness. Surface debris and the bumpy shape of the rock resulted in a shallow and irregular hole, only about 2 millimeters (0.08 inch) deep. The final depth was not enough to remove all the bumps and leave a neat hole with a smooth floor. This extremely shallow depression was then examined by the rover's alpha particle X-ray spectrometer. On Sol 178, Opportunity's "robotic rodent" dined on Diamond Jenness once again, grinding almost an additional 5 millimeters (about 0.2 inch). The rover then applied its Moessbauer spectrometer to the deepened hole. This double dose of Diamond Jenness enabled the science team to examine the rock at varying layers. Results from those grindings are currently being analyzed. The image mosaic is about 6 centimeters (2.4 inches) across. http://photojournal.jpl.nasa.gov/catalog/PIA06748

Synthesis and characterization of silicon nanorod on n-type porous silicon.

PubMed

Behzad, Kasra; Mat Yunus, Wan Mahmood; Bahrami, Afarin; Kharazmi, Alireza; Soltani, Nayereh

2016-03-20

This work reports a new method for growing semiconductor nanorods on a porous silicon substrate. After preparation of n-type porous silicon samples, a thin layer of gold was deposited on them. Gold deposited samples were annealed at different temperatures. The structural, thermal, and optical properties of the samples were studied using a field emission scanning electron microscope (FESEM), photoacoustic spectroscopy, and photoluminescence spectroscopy, respectively. FESEM analysis revealed that silicon nanorods of different sizes grew on the annealed samples. Thermal behavior of the samples was studied using photoacoustic spectroscopy. Photoluminescence spectroscopy showed that the emission peaks were degraded by gold deposition and attenuated for all samples by annealing.

Stress corrosion in titanium alloys and other metallic materials

NASA Technical Reports Server (NTRS)

Harkins, C. G. (Editor); Brotzen, F. R.; Hightower, J. W.; Mclellan, R. B.; Roberts, J. M.; Rudee, M. L.; Leith, I. R.; Basu, P. K.; Salama, K.; Parris, D. P.

1971-01-01

Multiple physical and chemical techniques including mass spectroscopy, atomic absorption spectroscopy, gas chromatography, electron microscopy, optical microscopy, electronic spectroscopy for chemical analysis (ESCA), infrared spectroscopy, nuclear magnetic resonance (NMR), X-ray analysis, conductivity, and isotopic labeling were used in investigating the atomic interactions between organic environments and titanium and titanium oxide surfaces. Key anhydrous environments studied included alcohols, which contain hydrogen; carbon tetrachloride, which does not contain hydrogen; and mixtures of alcohols and halocarbons. Effects of dissolved salts in alcohols were also studied. This program emphasized experiments designed to delineate the conditions necessary rather than sufficient for initiation processes and for propagation processes in Ti SCC.

Electronic structure of the organic semiconductor Alq3 (aluminum tris-8-hydroxyquinoline) from soft x-ray spectroscopies and density functional theory calculations.

PubMed

DeMasi, A; Piper, L F J; Zhang, Y; Reid, I; Wang, S; Smith, K E; Downes, J E; Peltekis, N; McGuinness, C; Matsuura, A

2008-12-14

The element-specific electronic structure of the organic semiconductor aluminum tris-8-hydroxyquinoline (Alq(3)) has been studied using a combination of resonant x-ray emission spectroscopy, x-ray photoelectron spectroscopy, x-ray absorption spectroscopy, and density functional theory (DFT) calculations. Resonant and nonresonant x-ray emission spectroscopy were used to measure directly the carbon, nitrogen and oxygen 2p partial densities of states in Alq(3), and good agreement was found with the results of DFT calculations. Furthermore, resonant x-ray emission at the carbon K-edge is shown to be able to measure the partial density of states associated with individual C sites. Finally, comparison of previous x-ray emission studies and the present data reveal the presence of clear photon-induced damage in the former.

Various MRS application tools for Alzheimer disease and mild cognitive impairment.

PubMed

Gao, F; Barker, P B

2014-06-01

MR spectroscopy is a noninvasive technique that allows the detection of several naturally occurring compounds (metabolites) from well-defined regions of interest within the human brain. Alzheimer disease, a progressive neurodegenerative disorder, is the most common cause of dementia in the elderly. During the past 20 years, multiple studies have been performed on MR spectroscopy in patients with both mild cognitive impairment and Alzheimer disease. Generally, MR spectroscopy studies have found decreased N-acetylaspartate and increased myo-inositol in both patients with mild cognitive impairment and Alzheimer disease, with greater changes in Alzheimer disease than in mild cognitive impairment. This review summarizes the information content of proton brain MR spectroscopy and its related technical aspects, as well as applications of MR spectroscopy to mild cognitive impairment and Alzheimer disease. While MR spectroscopy may have some value in the differential diagnosis of dementias and assessing prognosis, more likely its role in the near future will be predominantly as a tool for monitoring disease response or progression in treatment trials. More work is needed to evaluate the role of MR spectroscopy as a biomarker in Alzheimer disease and its relationship to other imaging modalities. © 2014 by American Journal of Neuroradiology.

Using Raman spectroscopy and SERS for in situ studies of rhizosphere bacteria

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

Mohseni, Hooman; Agahi, Massoud H.; Razeghi, Manijeh

Bacteria colonize plant roots to form a symbiotic relationship with the plant and can play in important role in promoting plant growth. Raman spectroscopy is a useful technique to study these bacterial systems and the chemical signals they utilize to interact with the plant. We present a Raman study of Pantoea YR343 that was isolated from the rhizosphere of Populus deltoides (Eastern Cottonwood). Pantoea sp. YR343 produce yellowish carotenoid pigment that play a role in protection against UV radiation, in the anti-oxidative pathways and in membrane fluidity. Raman spectroscopy is used to non-invasively characterize the membrane bound carotenoids. The spectramore » collected from a mutant strain created by knocking out the crtB gene that encodes a phytoene synthase responsible for early stage of carotenoid biosynthesis, lack the carotenoid peaks. Surface Enhanced Raman Spectroscopy is being employed to detect the plant phytoharmone indoleacetic acid that is synthesized by the bacteria. This work describes our recent progress towards utilizing Raman spectroscopy as a label free, non-destructive method of studying plant-bacteria interactions in the rhizosphere.« less

Vibrational Spectroscopy in Studies of Atmospheric Corrosion

PubMed Central

Hosseinpour, Saman; Johnson, Magnus

2017-01-01

Vibrational spectroscopy has been successfully used for decades in studies of the atmospheric corrosion processes, mainly to identify the nature of corrosion products but also to quantify their amounts. In this review article, a summary of the main achievements is presented with focus on how the techniques infrared spectroscopy, Raman spectroscopy, and vibrational sum frequency spectroscopy can be used in the field. Several different studies have been discussed where these instruments have been used to assess both the nature of corrosion products as well as the properties of corrosion inhibitors. Some of these techniques offer the valuable possibility to perform in-situ measurements in real time on ongoing corrosion processes, which allows the kinetics of formation of corrosion products to be studied, and also minimizes the risk of changing the surface properties which may occur during ex-situ experiments. Since corrosion processes often occur heterogeneously over a surface, it is of great importance to obtain a deeper knowledge about atmospheric corrosion phenomena on the nano scale, and this review also discusses novel vibrational microscopy techniques allowing spectra to be acquired with a spatial resolution of 20 nm. PMID:28772781

A Cross-Sectional Survey of Near-Infrared Spectroscopy Use in Pediatric Cardiac ICUs in the United Kingdom, Ireland, Italy, and Germany.

PubMed

Hoskote, Aparna U; Tume, Lyvonne N; Trieschmann, Uwe; Menzel, Christoph; Cogo, Paola; Brown, Katherine L; Broadhead, Michael W

2016-01-01

Despite the increasing use of near-infrared spectroscopy across pediatric cardiac ICUs, there is significant variability and equipoise with no universally accepted management algorithms. We aimed to explore the use of near-infrared spectroscopy in pediatric cardiac ICUs in the United Kingdom, Ireland, Italy, and Germany. A cross-sectional multicenter, multinational electronic survey of one consultant in each pediatric cardiac ICU. Pediatric cardiac ICUs in the United Kingdom and Ireland (n = 13), Italy (n = 12), and Germany (n = 33). Questionnaire targeted to establish use, targets, protocols/thresholds for intervention, and perceived usefulness of near-infrared spectroscopy monitoring. Overall, 42 of 58 pediatric cardiac ICUs (72%) responded: United Kingdom and Ireland, 11 of 13 (84.6%); Italy, 12 of 12 (100%); and Germany, 19 of 33 (57%, included all major centers). Near-infrared spectroscopy usage varied with 35% (15/42) reporting that near-infrared spectroscopy was not used at all (7/42) or occasionally (8/42); near-infrared spectroscopy use was much less common in the United Kingdom (46%) when compared with 78% in Germany and all (100%) in Italy. Only four units had a near-infrared spectroscopy protocol, and 18 specifically used near-infrared spectroscopy in high-risk patients; 37 respondents believed that near-infrared spectroscopy added value to standard monitoring and 23 believed that it gave an earlier indication of deterioration, but only 19 would respond based on near-infrared spectroscopy data alone. Targets for absolute values and critical thresholds for intervention varied widely between units. The reasons cited for not or occasionally using near-infrared spectroscopy were expense (n = 6), limited evidence and uncertainty on how it guides management (n = 4), difficulty in interpretation, and unreliability of data (n = 3). Amongst the regular or occasional near-infrared spectroscopy users (n = 35), 28 (66%) agreed that a multicenter study is warranted to ascertain its use. Although most responding units used near-infrared spectroscopy for high-risk patients, the majority (31/35 [88%]) did not have any protocols or guidelines for intervention. Target thresholds and intervention algorithms are needed to support the use of near-infrared spectroscopy in pediatric cardiac ICUs; an international multicenter study is warranted.

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.

Proton Spectroscopy in a Cross-Section of HIV-Positive Asymptomatic Patients Receiving Immediate Compared with Deferred Zidovudine (Concorde Study).

PubMed

Hall-Craggs, M A; Williams, I G; Wilkinson, I D; Paley, M; Chinn, R J; Chong, W K; Kendall, B E; Harrison, M J; Baldeweg, T; Pugh, K; Riccio, M; Catalan, J; Weller, I V

1997-01-01

The purpose of this study was to examine by proton spectroscopy for any difference in cerebral metabolites in patients taking part in the Concorde study (comparing the efficacy of immediate versus deferred treatment with zidovudine on asymptomatic HIV infected individuals). Forty seven HIV positive male patients [29 immediate, 18 deferred zidovudine] were examined in the last 9 months of the therapeutic trial. Magnetic resonance imaging and proton spectroscopy were performed at 1.5 Tesla using a single voxel placed in the parieto-occipital white matter. No significant difference was found in metabolite ratios comparing immediate versus deferred zidovudine (NA/NA+Cho+Cr 0.52 vs. 0.52). High quality spectra were acquired in relatively large numbers of patients and logistically spectroscopy may be applied to clinical therapeutic studies.

EIT amplitude noise spectroscopy

NASA Astrophysics Data System (ADS)

Whitenack, Benjamin; Tormey, Devan; O'Leary, Shannon; Crescimanno, Michael

2017-04-01

EIT Noise spectroscopy is usually studied by computing a correlation statistic based on temporal intensity variations of the two (circular polarization) propagation eigenstates. Studying the intensity noise correlations that result from amplitude mixing that we perform before and after the cell allows us to recast it in terms of the underlying amplitude noise. This leads to new tests of the quantum optics theory model and suggests an approach to the use of noise spectroscopy for vector magnetometry.

Adsorption and photodecomposition of Mo(CO)[sub 6] on Si(111) 7[times]7: An infrared reflection absorption spectroscopy study

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

Richter, L.J.; Buntin, S.A.; Chu, P.M.

1994-02-15

The adsorption and photodecomposition of Mo(CO)[sub 6] adsorbed on Si(111) 7[times]7 surfaces has been studied with Auger electron spectroscopy, temperature programmed desorption, low energy electron diffraction and infrared reflection absorption spectroscopy in a single external reflection configuration. The external-reflection technique is demonstrated to have adequate sensitivity to characterize submonolayer coverages of photogenerated Mo(CO)[sub [ital x

FEASIBILITY STUDY TO DEMONSTRATE APPLICABILITY OF TUNABLE INFRARED LASER EMISSION SPECTROSCOPY TECHNOLOGY TO MEASURE AIR POLLUTION

EPA Science Inventory

This project involves the real-time measurement of air quality using open-path IR spectroscopy. A prototype open-path tunable laser absorption spectroscopy instrument was designed, built, and successfully operated for several hundred hours between October and December 2000. The...

A Study of the Applicability of Atomic Emission Spectroscopy (AES), Fourier Transform Infrared (FT-IR) Spectroscopy, Direct Reading and Analytical Ferrography on High Performance Aircraft Engine Lubricating Oils

DTIC Science & Technology

1998-01-01

Ferrography on High Performance Aircraft Engine Lubricating Oils Allison M. Toms, Sharon 0. Hem, Tim Yarborough Joint Oil Analysis Program Technical...turbine engines by spectroscopy (AES and FT-IR) and direct reading and analytical ferrography . A statistical analysis of the data collected is...presented. Key Words: Analytical ferrography ; atomic emission spectroscopy; condition monitoring; direct reading ferrography ; Fourier transform infrared

The effect of Sr and Bi on the Si(100) surface oxidation - Auger electron spectroscopy, low energy electron diffraction, and X-ray photoelectron spectroscopy study

NASA Technical Reports Server (NTRS)

Fan, W. C.; Mesarwi, A.; Ignatiev, A.

1990-01-01

The effect of Sr and Bi on the oxidation of the Si(100) surface has been studied by Auger electron spectroscopy, low electron diffraction, and X-ray photoelectron spectroscopy. A dramatic enhancement, by a factor of 10, of the Si oxidation has been observed for Si(100) with a Sr overlayer. The SR-enhanced Si oxidation has been studied as a function of O2 exposure and Sr coverage. In contrast to the oxidation promotion of Sr on Si, it has been also observed that a Bi overlayer on Si(100) reduced Si oxidation significantly. Sr adsorption on the Si(100) with a Bi overlayer enhances Si oxidation only at Sr coverage of greater than 0.3 ML.

Characterization of CuHal-intercalated carbon nanotubes with x-ray absorption spectroscopy combined with x-ray photoelectron and resonant photoemission spectroscopies

NASA Astrophysics Data System (ADS)

Brzhezinskaya, M.; Generalov, A.; Vinogdradov, A.; Eliseev, A.

2013-04-01

Encapsulated single-walled carbon nanotubes (SWCNTs) with inner channels filled by different compounds present the new class of composite materials. Such CNTs give opportunity to form 1D nanocrystals as well as quantum nanowires with new physical and chemical properties inside the tubes. The present study is aimed to characterize the possible chemical interaction between CuHal (Hal=I, Cl, Br) and SWCNTs in CuHal@SWCNTs and electronic structure of the latter using high-resolution near edge X-ray absorption fine structure (NEXAFS) spectroscopy combined with high-resolution X-ray photoelectron spectroscopy and resonant photoemission spectroscopy. The present study has shown that there is a chemical interaction between the filler and π-electron subsystem of CNTs which is accompanied by changes of the atomic and electronic structure of the filler during the encapsulating it inside CNTs.

Metal Ion Interactions with Immunoglobulin G (IgG). 1. Preliminary Studies with Electron Paramagnetic Resonance (EPR) Spectroscopy and Ultrafiltration

DTIC Science & Technology

1978-12-12

EPR and ultrafiltration studies are recommceided to conduct luture metal ion- IgG binding research. Using Scatchard plots, bind.ng levels can be...of the binding sites can be best pursued by EPR and ultrafiltration using the fragments of IgG . This report noted some difference in the binding...immunoelectrophoresis, ultrafiltration, UV spectroscopy, atomic absorption spectroscopy, and electron paramagnetic resonance (EPR). IgG used ,- ,is non

3D Spectroscopy in Astronomy

NASA Astrophysics Data System (ADS)

Mediavilla, Evencio; Arribas, Santiago; Roth, Martin; Cepa-Nogué, Jordi; Sánchez, Francisco

2011-09-01

Preface; Acknowledgements; 1. Introductory review and technical approaches Martin M. Roth; 2. Observational procedures and data reduction James E. H. Turner; 3. 3D Spectroscopy instrumentation M. A. Bershady; 4. Analysis of 3D data Pierre Ferruit; 5. Science motivation for IFS and galactic studies F. Eisenhauer; 6. Extragalactic studies and future IFS science Luis Colina; 7. Tutorials: how to handle 3D spectroscopy data Sebastian F. Sánchez, Begona García-Lorenzo and Arlette Pécontal-Rousset.

Spectroscopy of Cosmic Carbon Analogs in Inert-Gas Matrices and in the Gas-Phase: Comparative Results and Perspectives for Astrophysics

NASA Technical Reports Server (NTRS)

Salama, Farid; DeVincenzi, Donald L. (Technical Monitor)

2001-01-01

Recent studies of the spectroscopy of large (up to approx. 50 carbon atoms) neutral and Ionized polycyclic aromatic hydrocarbons (PAHs) and Fullerenes isolated in inert gas matrices will be presented. The advantages and the limitations of matrix isolation spectroscopy for the study of the molecular spectroscopy of interstellar dust analogs will be discussed. The laboratory data will be compared to the astronomical spectra (the interstellar extinction, the diffuse interstellar bands). Finally, the spectra of PAH ions isolated in neon/argon matrices will be compared to the spectra obtained for PAH ion seeded in a supersonic expansion. The astrophysical implications and future perspectives will be discussed.

Many particle spectroscopy of atoms, molecules, clusters and surfaces: international conference MPS-2016

NASA Astrophysics Data System (ADS)

Grum-Grzhimailo, Alexei N.; Popov, Yuri V.; Gryzlova, Elena V.; Solov'yov, Andrey V.

2017-07-01

The conference on Many Particle Spectroscopy of Atoms, Molecules, Clusters and Surfaces (MPS-2016) brought together near to a hundred scientists in the field of electronic, photonic, atomic and molecular collisions, and spectroscopy from around the world. We deliver an Editorial of a topical issue presenting original research results from some of the participants on both experimental and theoretical studies involving many particle spectroscopy of atoms, molecules, clusters and surfaces. Contribution to the Topical Issue "Many Particle Spectroscopy of Atoms, Molecules, Clusters and Surfaces", edited by A.N. Grum-Grzhimailo, E.V. Gryzlova, Yu.V. Popov, and A.V. Solov'yov.

Applications of Group Theory: Infrared and Raman Spectra of the Isomers of 1,2-Dichloroethylene: A Physical Experiment

ERIC Educational Resources Information Center

Craig, Norman C.; Lacuesta, Nanette N.

2004-01-01

A study of the vibrational spectroscopy of the cis and trans isomers of 1,2-dichloroethylene provides an excellent opportunity to learn the applications group theory in laboratories. The necessity of using infrared (IR) spectroscopy and Raman spectroscopy in making full vibrational assignments is illustrated.

Recent advances in the use of NIR spectroscopy for qualitative control and protection of extra virgin olive oil

USDA-ARS?s Scientific Manuscript database

Recent studies on the use of near infrared (NIR) spectroscopy for the qualitative characterization of extra virgin olive oil, are reported and discussed in this paper. Research results confirms that NIR spectroscopy, combined with chemometric data analysis, allows to simultaneously evaluate all qual...

Optogalvanic photodetachment spectroscopy

NASA Technical Reports Server (NTRS)

Mcdermid, I. S.; Webster, C. R.

1983-01-01

A new extension to optogalvanic spectroscopy, in which electrons detached from negative ions formed in the discharge are observed as a function of incident laser wavelength, has been developed. The determination of the electron affinities of I(-) and Cl(-) atomic ions is described. The potential of the technique for studying the spectroscopy of molecular negative ions is also discussed.

Ultrafast and nonlinear surface-enhanced Raman spectroscopy.

PubMed

Gruenke, Natalie L; Cardinal, M Fernanda; McAnally, Michael O; Frontiera, Renee R; Schatz, George C; Van Duyne, Richard P

2016-04-21

Ultrafast surface-enhanced Raman spectroscopy (SERS) has the potential to study molecular dynamics near plasmonic surfaces to better understand plasmon-mediated chemical reactions such as plasmonically-enhanced photocatalytic or photovoltaic processes. This review discusses the combination of ultrafast Raman spectroscopic techniques with plasmonic substrates for high temporal resolution, high sensitivity, and high spatial resolution vibrational spectroscopy. First, we introduce background information relevant to ultrafast SERS: the mechanisms of surface enhancement in Raman scattering, the characterization of plasmonic materials with ultrafast techniques, and early complementary techniques to study molecule-plasmon interactions. We then discuss recent advances in surface-enhanced Raman spectroscopies with ultrafast pulses with a focus on the study of molecule-plasmon coupling and molecular dynamics with high sensitivity. We also highlight the challenges faced by this field by the potential damage caused by concentrated, highly energetic pulsed fields in plasmonic hotspots, and finally the potential for future ultrafast SERS studies.

Application of FTIR spectroscopy to study the thermal stability of magnesium aspartate-arginine

NASA Astrophysics Data System (ADS)

Hacura, Andrzej; Marcoin, Wacława; Pasterny, Karol

2012-03-01

FTIR spectroscopy has been applied to study the thermal stability of magnesium aspartatearginine. An attempt has been made, using theoretically predicted IR spectra, to relate the changes in the experimental spectra with the decomposition process of the studied magnesium complex.

[System of ns time-resolved spectroscopy diagnosis and radioprotection].

PubMed

Yao, Wei-Bo; Guo, Jian-Ming; Zhang, Yong-min; Tang, Jun-Ping; Cheng, Liang; Xu, Qi-fuo

2014-06-01

Cathode plasma of high current electron beam diode is an important research on high power microwave and strong pulsed radio accelerator. It is a reliable method to study cathode plasma by diagnosing the cathode plasma parameters with non-contact spectroscopy measurement system. The present paper introduced the work principle, system composition and performance of the nanosecond (ns) time-resolved spectroscopy diagnosis system. Furthermore, it introduced the implementing method and the temporal relation of lower jitter synchronous trigger system. Simultaneously, the authors designed electromagnetic and radio shield room to protect the diagnosis system due to the high electromagnetic and high X-ray and γ-ray radiation, which seriously interferes with the system. Time-resolved spectroscopy experiment on brass (H62) cathode shows that, the element and matter composition of cathode plasma is clearly increase with the increase in the diode pulsed voltage and current magnitude. The spectroscopy diagnosis system could be of up to 10 ns time resolve capability. It's least is 2 ns. Synchronous trigger system's jitter is less than 4 ns. The spectroscopy diagnosis system will open a new way to study the cathode emission mechanism in depth.

Unusual ordering in c-NpPd3

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

Gofryk, Krzysztof

2010-01-01

NpPd{sub 3} exhibits two crystal structures. At room temperature, the equilibrium structure is the dhcp TiNi{sub 3}-type, but rapid cooling from melt produces the cubic AuCu{sub 3}-type structure. In both cases, the Np-Np distance is 4.1 {angstrom}, so that the Np ions are expected to be localized. Both phases of NpPd{sub 3} were first studied at the ANL in the early 1970s. Nellis et al measured the magnetic susceptibility and the electrical resistivity of cubic NpPd{sub 3}, and found evidence of magnetic ordering setting in below T{sub N} = 54 K. The magnetic order in this phase was confirmed bymore » Moessbauer and neutron studies. The neutron data revealed several magnetic Bragg peaks with an ordering wave-vector of (1/2,1/2, 1/2). In contrast, no evidence for any long-range magnetic ordering was found for dhcp NpPd{sub 3}, despite the presence of an anomaly at 30 K in the bulk magnetic data. Our recent measurements of the magnetic (magnetization, susceptibility), thermal (heat capacity) and transport (electrical resistivity, magnetoresistivity, thermopower and Hall effect) properties of cubic NpPd{sub 3} indicated highly unusual nature of the magnetic ordering. At T{sub N}, the specific heat exhibits an extremely large peak [as large as 1000 J/(mol K)] and the magnetic susceptibility shows a clear jump. The transport properties of c-NpPd{sub 3} indicate a dramatic Fermi-surface reconstruction at T{sub N}, which shows up as pronounced anomalies at this temperature in the electrical resistivity, the magnetoresistivity, the Seebeck coefficient and the Hall coefficient.« less

Prediction of Ba, Co and Ni for tropical soils using diffuse reflectance spectroscopy and X-ray fluorescence spectroscopy

NASA Astrophysics Data System (ADS)

Arantes Camargo, Livia; Marques Júnior, José; Reynaldo Ferracciú Alleoni, Luís; Tadeu Pereira, Gener; De Bortoli Teixeira, Daniel; Santos Rabelo de Souza Bahia, Angélica

2017-04-01

Environmental impact assessments may be assisted by spatial characterization of potentially toxic elements (PTEs). Diffuse reflectance spectroscopy (DRS) and X-ray fluorescence spectroscopy (XRF) are rapid, non-destructive, low-cost, prediction tools for a simultaneous characterization of different soil attributes. Although low concentrations of PTEs might preclude the observation of spectral features, their contents can be predicted using spectroscopy by exploring the existing relationship between the PTEs and soil attributes with spectral features. This study aimed to evaluate, in three geomorphic surfaces of Oxisols, the capacity for predicting PTEs (Ba, Co, and Ni) and their spatial variability by means of diffuse reflectance spectroscopy (DRS) and X-ray fluorescence spectroscopy (XRF). For that, soil samples were collected from three geomorphic surfaces and analyzed for chemical, physical, and mineralogical properties, and then analyzed in DRS (visible + near infrared - VIS+NIR and medium infrared - MIR) and XRF equipment. PTE prediction models were calibrated using partial least squares regression (PLSR). PTE spatial distribution maps were built using the values calculated by the calibrated models that reached the best accuracy using geostatistics. PTE prediction models were satisfactorily calibrated using MIR DRS for Ba, and Co (residual prediction deviation - RPD > 3.0), Vis DRS for Ni (RPD > 2.0) and FRX for all the studied PTEs (RPD > 1.8). DRS- and XRF-predicted values allowed the characterization and the understanding of spatial variability of the studied PTEs.

Emerging enhanced imaging technologies of the esophagus: spectroscopy, confocal laser endomicroscopy, and optical coherence tomography.

PubMed

Robles, Lourdes Y; Singh, Satish; Fisichella, Piero Marco

2015-05-15

Despite advances in diagnoses and therapy, esophageal adenocarcinoma remains a highly lethal neoplasm. Hence, a great interest has been placed in detecting early lesions and in the detection of Barrett esophagus (BE). Advanced imaging technologies of the esophagus have then been developed with the aim of improving biopsy sensitivity and detection of preplastic and neoplastic cells. The purpose of this article was to review emerging imaging technologies for esophageal pathology, spectroscopy, confocal laser endomicroscopy (CLE), and optical coherence tomography (OCT). We conducted a PubMed search using the search string "esophagus or esophageal or oesophageal or oesophagus" and "Barrett or esophageal neoplasm" and "spectroscopy or optical spectroscopy" and "confocal laser endomicroscopy" and "confocal microscopy" and "optical coherence tomography." The first and senior author separately reviewed all articles. Our search identified: 19 in vivo studies with spectroscopy that accounted for 1021 patients and 4 ex vivo studies; 14 clinical CLE in vivo studies that accounted for 941 patients and 1 ex vivo study with 13 patients; and 17 clinical OCT in vivo studies that accounted for 773 patients and 2 ex vivo studies. Human studies using spectroscopy had a very high sensitivity and specificity for the detection of BE. CLE showed a high interobserver agreement in diagnosing esophageal pathology and an accuracy of predicting neoplasia. We also found several clinical studies that reported excellent diagnostic sensitivity and specificity for the detection of BE using OCT. Advanced imaging technology for the detection of esophageal lesions is a promising field that aims to improve the detection of early esophageal lesions. Although advancing imaging techniques improve diagnostic sensitivities and specificities, their integration into diagnostic protocols has yet to be perfected. Copyright © 2015 Elsevier Inc. All rights reserved.

Study on Senna alata and its different extracts by Fourier transform infrared spectroscopy and two-dimensional correlation infrared spectroscopy

NASA Astrophysics Data System (ADS)

Adiana, M. A.; Mazura, M. P.

2011-04-01

Senna alata L. commonly known as candle bush belongs to the family of Fabaceae and the plant has been reported to possess anti-inflammatory, analgesic, laxative and antiplatelet-aggregating activity. In order to develop a rapid and effective analysis method for studying integrally the main constituents in the medicinal materials and their extracts, discriminating the extracts from different extraction process, comparing the categories of chemical constituents in the different extracts and monitoring the qualities of medicinal materials, we applied Fourier transform infrared spectroscopy (FT-IR) associated with second derivative infrared spectroscopy and two-dimensional infrared correlation spectroscopy (2D-IR) to study the main constituents of S. alata and its different extracts (extracted by hexane, dichloromethane, ethyl acetate and methanol in turn). The findings indicated that FT-IR and 2D-IR can provide many holistic variation rules of chemical constituents. Use of the macroscopical fingerprint characters of FT-IR and 2D-IR spectrum can identify the main chemical constituents in medicinal materials and their extracts, but also compare the components differences among similar samples. In a conclusion, FT-IR spectroscopy combined with 2D correlation analysis provides a powerful method for the quality control of traditional medicines.

Application of Raman spectroscopy technology to studying Sudan I

NASA Astrophysics Data System (ADS)

Li, Gang; Zhang, Guoping; Chen, Chen

2006-06-01

Being an industrial dye, the Sudan I may have a toxic effect after oral intake on the body, and has recently been shown to cause cancer in rats, mice and rabbits. Because China and some other countries have detected the Sudan I in samples of the hot chilli powder and the chilli products, it is necessary to study the characteristics of this dye. As one kind of molecule scattering spectroscopy, Raman spectroscopy is characterized by the frequency excursion caused by interactions of molecules and photons. The frequency excursion reflects the margin between certain two vibrational or rotational energy states, and shows the information of the molecule. Because Raman spectroscopy can provides quick, easy, reproducible, and non-destructive analysis, both qualitative and quantitative, with no sample preparation required, Raman spectroscopy has been a particularly promising technique for analyzing the characteristics and structures of molecules, especially organic ones. Now, it has a broad application in biological, chemical, environmental and industrial applications. This paper firstly introduces Sudan I dye and the Raman spectroscopy technology, and then describes its application to the Sudan I. Secondly, the fingerprint spectra of the Sudan I are respectively assigned and analyzed in detail. Finally, the conclusion that the Raman spectroscopy technology is a powerful tool to determine the Sudan I is drawn.

A comparison of antioxidative capacities of fruit juices, drinks and nectars, as determined by EPR and UV-vis spectroscopies

NASA Astrophysics Data System (ADS)

Bartoszek, Mariola; Polak, Justyna

2016-01-01

The differences in the Trolox Equivalent Antioxidant Capacity (TEAC) values at the same incubation time obtained by two different techniques: electron paramagnetic resonance (EPR) spectroscopy and ultraviolet visible (UV-vis) spectroscopy, which use the same antioxidant-free radical reaction mechanism, were determined for fruit juices, nectars and drinks. For this study, the stable free radical 1,1-Diphenyl-2-picryl-hydrazyl (DPPH•) was used. The antioxidant capacity was presented in Trolox Equivalents, e.g., μM trolox per 100 ml of sample. All of the studied fruit juices, drinks and nectars showed antioxidative properties. Dependencies between TEAC values and the percent fruit content and sample color were observed for the studied beverages. It was found that EPR spectroscopy is the more adequate method for determining TEAC values for these kinds of samples.

Applications of infrared free electron lasers in picosecond and nonlinear spectroscopy

NASA Astrophysics Data System (ADS)

Fann, W. S.; Benson, S. V.; Madey, J. M. J.; Etemad, S.; Baker, G. L.; Rothberg, L.; Roberson, M.; Austin, R. H.

1990-10-01

In this paper we describe two different types of spectroscopic experiments that exploit the characteristics of the infrared FEL, Mark III, for studies of condensed matter: - the spectrum of χ(3)(-3ω; ω, ω, ω) in polyacetylene: an application of the free electron laser in nonlinear optical spectroscopy, and - a dynamical test of Davydov-like solitons in acetanilide using a picosecond free electron laser. These two studies highlight the unique contributions FELs can make to condensed-matter spectroscopy.

Raman spectral signatures of cervical exfoliated cells from liquid-based cytology samples

NASA Astrophysics Data System (ADS)

Kearney, Padraig; Traynor, Damien; Bonnier, Franck; Lyng, Fiona M.; O'Leary, John J.; Martin, Cara M.

2017-10-01

It is widely accepted that cervical screening has significantly reduced the incidence of cervical cancer worldwide. The primary screening test for cervical cancer is the Papanicolaou (Pap) test, which has extremely variable specificity and sensitivity. There is an unmet clinical need for methods to aid clinicians in the early detection of cervical precancer. Raman spectroscopy is a label-free objective method that can provide a biochemical fingerprint of a given sample. Compared with studies on infrared spectroscopy, relatively few Raman spectroscopy studies have been carried out to date on cervical cytology. The aim of this study was to define the Raman spectral signatures of cervical exfoliated cells present in liquid-based cytology Pap test specimens and to compare the signature of high-grade dysplastic cells to each of the normal cell types. Raman spectra were recorded from single exfoliated cells and subjected to multivariate statistical analysis. The study demonstrated that Raman spectroscopy can identify biochemical signatures associated with the most common cell types seen in liquid-based cytology samples; superficial, intermediate, and parabasal cells. In addition, biochemical changes associated with high-grade dysplasia could be identified suggesting that Raman spectroscopy could be used to aid current cervical screening tests.

Balloon and Button Spectroscopy: A Hands-On Approach to Light and Matter

ERIC Educational Resources Information Center

Ribaudo, Joseph

2016-01-01

Without question, one of the most useful tools an astronomer or physicist can employ to study the universe is spectroscopy. However, for students in introductory physics or astronomy classes, spectroscopy is a relatively abstract concept that combines new physics topics such as thermal radiation, atomic physics, and the wave and particle nature of…

Reliability of Near-Infrared Spectroscopy for Determining Muscle Oxygen Saturation during Exercise

ERIC Educational Resources Information Center

Austin, Krista G.; Daigle, Karen A.; Patterson, Patricia; Cowman, Jason; Chelland, Sara; Haymes, Emily M.

2005-01-01

Near-infrared spectroscopy is currently used to assess changes in the oxygen saturation of the muscle during exercise. The primary purpose of this study was to assess the reliability of near-infrared spectroscopy in determining muscle oxygen saturation (StO[subscript 2]) in the vastus lateralis during cycling and the gastrocnemius during running…

Recent advances in the use of non-destructive near infrared spectroscopy on intact olive fruits

USDA-ARS?s Scientific Manuscript database

The objective of this review is to illustrate the state of the art in the use of non-destructive near infrared (NIR) spectroscopy for quality evaluation of intact fruit in the olive industry. First, the most recent studies regarding the application of non-destructive NIR spectroscopy methods to asse...

Independent Research and Independent Exploratory Development Annual Report Fiscal Year 1975

DTIC Science & Technology

1975-09-01

and Coding Study.(Z?80) ................................... ......... .................... 40 Optical Cover CMMUnicallor’s Using Laser Transceiverst...Using Auger Spectroscopy and PUBLICATIONS Additional Advanced Analytical Techniques," Wagner, N. K., "Auger Electron Spectroscopy NELC Technical Note 2904...K.. "Analysis of Microelectronic Materials Using Auger Spectroscopy and Additional Advanced Analytical Techniques," Contact: Proceedings of the

Characterization of III-V Semiconductors.

DTIC Science & Technology

1981-04-01

Conversion Photoluminescence InP Hall Effect Mass Spectroscopy Ion Implantation Photoconductivity Donor-Acceptor 20. ABSTRACT (Continue on reverse side If...Characteristiss .. 72 10.0 FAR INFRARED STUDIES IN GaAs. ....................... 76I11.0 SPARK-SOURCE MASS SPECTROSCOPY IN GaAs...concen- tration, as measured by spark-source mass spectroscopy (SSMS), and the Hall 7 mobility. However, we found that, unfortunately, commercially

Theoretical studies of electronically excited states

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

Besley, Nicholas A.

2014-10-06

Time-dependent density functional theory is the most widely used quantum chemical method for studying molecules in electronically excited states. However, excited states can also be computed within Kohn-Sham density functional theory by exploiting methods that converge the self-consistent field equations to give excited state solutions. The usefulness of single reference self-consistent field based approaches for studying excited states is demonstrated by considering the calculation of several types of spectroscopy including the infrared spectroscopy of molecules in an electronically excited state, the rovibrational spectrum of the NO-Ar complex, core electron binding energies and the emission spectroscopy of BODIPY in water.

Advances in quantitative UV-visible spectroscopy for clinical and pre-clinical application in cancer.

PubMed

Brown, J Quincy; Vishwanath, Karthik; Palmer, Gregory M; Ramanujam, Nirmala

2009-02-01

Methods of optical spectroscopy that provide quantitative, physically or physiologically meaningful measures of tissue properties are an attractive tool for the study, diagnosis, prognosis, and treatment of various cancers. Recent development of methodologies to convert measured reflectance and fluorescence spectra from tissue to cancer-relevant parameters such as vascular volume, oxygenation, extracellular matrix extent, metabolic redox states, and cellular proliferation have significantly advanced the field of tissue optical spectroscopy. The number of publications reporting quantitative tissue spectroscopy results in the UV-visible wavelength range has increased sharply in the past three years, and includes new and emerging studies that correlate optically measured parameters with independent measures such as immunohistochemistry, which should aid in increased clinical acceptance of these technologies.

Multispectroscopic investigation of the interaction of BSA and DNA with the anticancer drug, N-(6-ferrocenyl-2-naphthoyl)-gamma-amino butyric acid methyl ester

NASA Astrophysics Data System (ADS)

Rajina, S. R.; Sudhi, Geethu; Austin, P.; Praveen, S. G.; Xavier, T. S.; Kenny, Peter T. M.; Binoy, J.

2018-05-01

The interaction of a drug with DNA and BSA play a great role in studying anti cancer activity and drug transport properties, which can be effectively, investigated using vibrational spectroscopy, UV visible spectroscopy and Fluorescence spectroscopy. The present work reports the structural features of N-(6-ferrocenyl-2-naphthoyl)-gamma-amino butyric acid Methyl ester (FNGABME) based on FTIR and FTRaman spectroscopy. The absorption and fluorescence spectroscopic methods were used to study the efficiency of the interaction of the compound FNGABME with BSA and DNA and also molecular docking were performed computationally to validate the results which shows that the title compound may exhibit inhibitory activity against the cancer cells.

A transmission-grating-modulated pump-probe absorption spectroscopy and demonstration of diffusion dynamics of photoexcited carriers in bulk intrinsic GaAs film.

PubMed

Chen, Ke; Wang, Wenfang; Chen, Jianming; Wen, Jinhui; Lai, Tianshu

2012-02-13

A transmission-grating-modulated time-resolved pump-probe absorption spectroscopy is developed and formularized. The spectroscopy combines normal time-resolved pump-probe absorption spectroscopy with a binary transmission grating, is sensitive to the spatiotemporal evolution of photoinjected carriers, and has extensive applicability in the study of diffusion transport dynamics of photoinjected carriers. This spectroscopy has many advantages over reported optical methods to measure diffusion dynamics, such as simple experimental setup and operation, and high detection sensitivity. The measurement of diffusion dynamics is demonstrated on bulk intrinsic GaAs films. A carrier density dependence of carrier diffusion coefficient is obtained and agrees well with reported results.

Call for papers for special issue of Journal of Molecular Spectroscopy focusing on "Frequency-comb spectroscopy"

NASA Astrophysics Data System (ADS)

Foltynowicz, Aleksandra; Picqué, Nathalie; Ye, Jun

2018-05-01

Frequency combs are becoming enabling tools for many applications in science and technology, beyond the original purpose of frequency metrology of simple atoms. The precisely evenly spaced narrow lines of a laser frequency comb inspire intriguing approaches to molecular spectroscopy, designed and implemented by a growing community of scientists. Frequency-comb spectroscopy advances the frontiers of molecular physics across the entire electro-magnetic spectrum. Used as frequency rulers, frequency combs enable absolute frequency measurements and precise line shape studies of molecular transitions, for e.g. tests of fundamental physics and improved determination of fundamental constants. As light sources interrogating the molecular samples, they dramatically improve the resolution, precision, sensitivity and acquisition time of broad spectral-bandwidth spectroscopy and open up new opportunities and applications at the leading edge of molecular spectroscopy and sensing.

Mesenteric near-infrared spectroscopy and risk of gastrointestinal complications in infants undergoing surgery for congenital heart disease.

PubMed

Iliopoulos, Ilias; Branco, Ricardo G; Brinkhuis, Nadine; Furck, Anke; LaRovere, Joan; Cooper, David S; Pathan, Nazima

2016-04-01

We hypothesised that lower mesenteric near-infrared spectroscopy values would be associated with a greater incidence of gastrointestinal complications in children weighing <10 kg who were recovering from cardiac surgery. We evaluated mesenteric near-infrared spectroscopy, central venous oxygen saturation, and arterial blood gases for 48 hours post-operatively. Enteral feeding intake, gastrointestinal complications, and markers of organ dysfunction were monitored for 7 days. A total of 50 children, with median age of 16.7 (3.2-31.6) weeks, were studied. On admission, the average mesenteric near-infrared spectroscopy value was 71±18%, and the systemic oxygen saturation was 93±7.5%. Lower admission mesenteric near-infrared spectroscopy correlated with longer time to establish enteral feeds (r=-0.58, p<0.01) and shorter duration of feeds at 7 days (r=0.48, p<0.01). Children with gastrointestinal complications had significantly lower admission mesenteric near-infrared spectroscopy (58±18% versus 73±17%, p=0.01) and higher mesenteric arteriovenous difference of oxygen at admission [39 (23-47) % versus 19 (4-27) %, p=0.02]. Based on multiple logistic regression, admission mesenteric near-infrared spectroscopy was independently associated with gastrointestinal complications (Odds ratio, 0.95; 95% confidence interval, 0.93-0.97; p=0.03). Admission mesenteric near-infrared spectroscopy showed an area under the receiver operating characteristic curve of 0.76 to identify children who developed gastrointestinal complications, with a suggested cut-off value of 72% (78% sensitivity, 68% specificity). In this pilot study, we conclude that admission mesenteric near-infrared spectroscopy is associated with gastrointestinal complications and enteral feeding tolerance in children after cardiac surgery.

Principles and applications of Raman spectroscopy in pharmaceutical drug discovery and development.

PubMed

Gala, Urvi; Chauhan, Harsh

2015-02-01

In recent years, Raman spectroscopy has become increasingly important as an analytical technique in various scientific areas of research and development. This is partly due to the technological advancements in Raman instrumentation and partly due to detailed fingerprinting that can be derived from Raman spectra. Its versatility of applications, rapidness of collection and easy analysis have made Raman spectroscopy an attractive analytical tool. The following review describes Raman spectroscopy and its application within the pharmaceutical industry. The authors explain the theory of Raman scattering and its variations in Raman spectroscopy. The authors also highlight how Raman spectra are interpreted, providing examples. Raman spectroscopy has a number of potential applications within drug discovery and development. It can be used to estimate the molecular activity of drugs and to establish a drug's physicochemical properties such as its partition coefficient. It can also be used in compatibility studies during the drug formulation process. Raman spectroscopy's immense potential should be further investigated in future.

Application of nuclear magnetic resonance spectroscopy, Fourier transform infrared spectroscopy, UV-Visible spectroscopy and kinetic modeling for elucidation of adsorption chemistry in uptake of tetracycline by zeolite beta.

PubMed

Kang, Jin; Liu, Huijuan; Zheng, Yu-Ming; Qu, Jiuhui; Chen, J Paul

2011-02-01

Extensive usage of tetracycline has resulted in its contamination in surface water and groundwater. The adsorption of tetracycline on zeolite beta was systematically investigated for the decontamination of the antibiotic polluted water in this study. Ninety percent of uptake by the zeolite beta occured in 0.25h, and the adsorption equilibrium was obtained within 3h, which was well described by an intraparticle diffusion model. The adsorption generally increased when pH was increased from 4.0 to 5.0, and then decreased significantly as the pH was further increased, which was caused by the pH-dependent speciation of tetracycline and surface charge of zeolite beta. Both Freundlich and Langmuir equations well described the adsorption isotherm. A thermodynamic analysis showed that the sorption process was spontaneous and endothermic. Aluminum atoms in the zeolite played a crucial role in the uptake; the adsorption increased with the increasing aluminum content in zeolite. The UV-Visible spectroscopy study showed that the spectra of tetracycline changed upon the interaction with zeolite beta, which could be ascribed to the formation of complexes of tetracycline and aluminum atoms in the zeolite surface. Nuclear magnetic resonance spectroscopy study further confirmed the participation of Al in the tetracycline adsorption. Fourier transform infrared spectroscopy studies showed that the amino functional groups in tetracycline were involved in the complexation with the zeolite surface. Copyright © 2010 Elsevier Inc. All rights reserved.

Spectroscopic Study of the Interaction between Horse Heart Myoglobin and Zirconium(IV)-Substituted Polyoxometalates as Artificial Proteases.

PubMed

Ly, Hong Giang T; Parac-Vogt, Tatjana N

2017-09-20

A recent study [Angew. Chem. Int. Ed. 2015, 54, 7391-7394] has shown that horse heart myoglobin (HHM) is selectively hydrolyzed by a range of zirconium(IV)-substituted polyoxometalates (POMs) under mild conditions. In this study, the molecular interactions between the Zr-POM catalysts and HHM are investigated by using a range of complementary techniques, including circular dichroism (CD), UV/Vis spectroscopy, tryptophan fluorescence spectroscopy, and 1 H and 31 P NMR spectroscopy. A tryptophan fluorescence quenching study reveals that, among all examined Zr-POMs, the most reactive POM, 2:2 Zr IV -Keggin, exhibits the strongest interaction with HHM. 31 P NMR spectroscopy studies show that this POM dissociates in solution, resulting in the formation of a monomeric 1:1 Zr IV -Keggin structure, which is likely to be a catalytically active species. In the presence of Zr IV -POMs, HHM does not undergo complete denaturation, as evidenced by CD, UV/Vis, tryptophan fluorescence, and 1 H NMR spectroscopy. CD spectroscopy shows a gradual decrease in the α-helical content of HHM upon addition of Zr IV -POMs. The largest effect is observed in the presence of a large Zr IV -Wells-Dawson structure, whereas small Zr IV -Lindqvist POM has the least influence on the decrease in the α-helical content of HHM. In all cases, the Soret band at λ=409 nm is maintained in the presence of all examined Zr-POMs, which indicates that no conformational changes in the protein occur near the heme group. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Non-invasive in situ identification and band assignments of diazepam, flunitrazepam and methadone hydrochloride with FT-near-infrared spectroscopy.

PubMed

Ali, Hassan Refat H

2011-03-20

Near-infrared spectroscopy (NIR) has evolved into an important rapid, direct and non-invasive technique in drugs analysis. In this study, the suitability of NIR spectroscopy to identify two benzodiazepine derivatives, diazepam and flunitrazepam, and a synthetic opiate, methadone hydrochloride, inside USP vials and probe the solid-state form of diazepam presents in tablets has been explored. The results show the potential of NIR spectroscopy for rapid, in situ and non-destructive identification of drugs. Copyright © 2010 Elsevier Ireland Ltd. All rights reserved.

Reflectance spectroscopy in planetary science: Review and strategy for the future

NASA Technical Reports Server (NTRS)

Mccord, Thomas B. (Editor)

1987-01-01

Reflectance spectroscopy is a remote sensing technique used to study the surfaces and atmospheres of solar system bodies. It provides first-order information on the presence and amounts of certain ions, molecules, and minerals on a surface or in an atmosphere. Reflectance spectroscopy has become one of the most important investigations conducted on most current and planned NASA Solar System Exploration Program space missions. This book reviews the field of reflectance spectroscopy, including information on the scientific technique, contributions, present conditions, and future directions and needs.

Noninvasive Study of Explosive Materials by Time Domain Spectroscopy and FTIR

NASA Astrophysics Data System (ADS)

Huang, Feng; Federici, John; Gary, Dale; Barat, Robert; Zimdars, David

2005-04-01

Transmission and reflection spectroscopy in the Terahertz (THz) range (˜ 3 to 0.1 mm) is potentially useful for the detection of explosives and biological agents. This paper describes the use of THz time domain spectroscopy (TDS) applied in transmission to the 1,3,5 trinitro-s-triazine (RDX), C4, Amonium Nitrate, etc. Samples were also subjected to Fourier Transform Infrared (FTIR) spectroscopy over the same range for comparison. General agreement confirms the absorption features found. The nature of THz technology applied in the noninvasive detection of such material is discussed.

Fourier-transform infrared derivative spectroscopy with an improved signal-to-noise ratio.

PubMed

Fetterman, M R

2005-09-01

Infrared derivative spectroscopy is a useful technique for finding peaks hidden in broad spectral features. A data acquisition technique is shown that will improve the signal-to-noise ratio (SNR) of Fourier-transform infrared (FTIR) derivative spectroscopy. Typically, in a FTIR measurement one samples each point for the same time interval. The effect of using a graded time interval is studied. The simulations presented show that the SNR of first-derivative FTIR spectroscopy will improve by 15% and that the SNR of second-derivative FTIR will improve by 34%.

Infrared Multiphoton Dissociation Spectroscopy with Free-Electron Lasers: On the Road from Small Molecules to Biomolecules.

PubMed

Jašíková, Lucie; Roithová, Jana

2018-03-07

Infrared multiphoton dissociation (IRMPD) spectroscopy is commonly used to determine the structure of isolated, mass-selected ions in the gas phase. This method has been widely used since it became available at free-electron laser (FEL) user facilities. Thus, in this Minireview, we examine the use of IRMPD/FEL spectroscopy for investigating ions derived from small molecules, metal complexes, organometallic compounds and biorelevant ions. Furthermore, we outline new applications of IRMPD spectroscopy to study biomolecules. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

In vivo spectroscopy of healthy skin and pathology in terahertz frequency range

NASA Astrophysics Data System (ADS)

Zaytsev, Kirill I.; Kudrin, Konstantin G.; Reshetov, Igor V.; Gavdush, Arseniy A.; Chernomyrdin, Nikita V.; Karasik, Valeriy E.; Yurchenko, Stanislav O.

2015-01-01

Biomedical applications of terahertz (THz) technology and, in particular, THz pulsed spectroscopy have attracted considerable interest in the scientific community. A lot of papers have been dedicated to studying the ability for human disease diagnosis, including the diagnosis of human skin cancers. In this paper we have studied the THz material parameters and THz dielectric properties of human skin and pathology in vivo, and THz pulsed spectroscopy has been utilized for this purpose. We have found a contrast between material parameters of basal cell carcinoma and healthy skin, and we have also compared the THz material parameters of dysplastic and non-dysplastic pigmentary nevi in order to study the ability for early melanoma diagnosis. Significant differences between the THz material parameters of healthy skin and pathology have been detected, thus, THz pulsed spectroscopy promises to be become an effective tool for non-invasive diagnosis of skin neoplasms.

Study of anti-cancer effects of chemotherapeutic agents and radiotherapy in breast cancer patients using fluorescence spectroscopy

NASA Astrophysics Data System (ADS)

Chithra, K.; Vijayaraghavan, S.; Prakasarao, Aruna; Singaravelu, Ganesan

2017-02-01

The analysis of the variations in the spectroscopic patterns of the key bio molecules using Native fluorescence spectroscopy, without exogenous labels, has emerged as a new trend in the characterization of the Physiological State and the Discrimination of Pathological from normal conditions of cells and tissues as the relative concentration of these bio-molecules serve as markers in evaluating the presence of cancer in the body. The aim of this unique study is to use these features of Optical spectroscopy in monitoring the behavior of cells to treatment and thus to evaluate the response to Chemotherapeutic agents and Radiation in Breast Cancer Patients. The results of the study conducted using NFS of Human blood plasma of biopsy proved Breast Cancer patients undergoing treatment are promising, enhancing the scope of Native fluorescence Spectroscopy emerging as a promising technology in the evaluation of Therapeutic Response in Breast Cancer Patients.

A Review of MR Spectroscopy Studies of Pediatric Bipolar Disorder

PubMed Central

Kondo, D.G.; Hellem, T.L.; Shi, X.-F.; Sung, Y.H.; Prescot, A.P.; Kim, T.S.; Huber, R.S.; Forrest, L.N.; Renshaw, P.F.

2015-01-01

Pediatric bipolar disorder is a severe mental illness whose pathophysiology is poorly understood and for which there is an urgent need for improved diagnosis and treatment. MR spectroscopy is a neuroimaging method capable of in vivo measurement of neurochemicals relevant to bipolar disorder neurobiology. MR spectroscopy studies of adult bipolar disorder provide consistent evidence for alterations in the glutamate system and mitochondrial function. In bipolar disorder, these 2 phenomena may be linked because 85% of glucose in the brain is consumed by glutamatergic neurotransmission and the conversion of glutamate to glutamine. The purpose of this article is to review the MR spectroscopic imaging literature in pediatric bipolar disorder, at-risk samples, and severe mood dysregulation, with a focus on the published findings that are relevant to glutamatergic and mitochondrial functioning. Potential directions for future MR spectroscopy studies of the glutamate system and mitochondrial dysfunction in pediatric bipolar disorder are discussed. PMID:24557702

Fourier Transform Infrared (FTIR) Spectroscopy, Ultraviolet Resonance Raman (UVRR) Spectroscopy, and Atomic Force Microscopy (AFM) for Study of the Kinetics of Formation and Structural Characterization of Tau Fibrils.

PubMed

Ramachandran, Gayathri

2017-01-01

Kinetic studies of tau fibril formation in vitro most commonly employ spectroscopic probes such as thioflavinT fluorescence and laser light scattering or negative stain transmission electron microscopy. Here, I describe the use of Fourier transform infrared (FTIR) spectroscopy, ultraviolet resonance Raman (UVRR) spectroscopy, and atomic force microscopy (AFM) as complementary probes for studies of tau aggregation. The sensitivity of vibrational spectroscopic techniques (FTIR and UVRR) to secondary structure content allows for measurement of conformational changes that occur when the intrinsically disordered protein tau transforms into cross-β-core containing fibrils. AFM imaging serves as a gentle probe of structures populated over the time course of tau fibrillization. Together, these assays help further elucidate the structural and mechanistic complexity inherent in tau fibril formation.

Correlation between the structure and the piezoelectric properties of lead-free (K,Na,Li)(Nb,Ta,Sb)O3 ceramics studied by XRD and Raman spectroscopy.

PubMed

Rubio-Marcos, Fernando; Marchet, Pascal; Romero, Juan José; Fernández, Jose F

2011-09-01

This article reviews on the use of Raman spectroscopy for the study of (K,Na,Li)(Nb,Ta,Sb)O(3) lead-free piezoceramics. Currently, this material appears to be one of the most interesting and promising alternatives to the well-known PZT piezoelectric materials. In this work, we prepare piezoceramics with different stoichiometries and study their structural, ferroelectric, and piezoelectric properties. By using both Raman spectroscopy and X-ray diffraction, we establish a direct correlation between the structure and the properties. The results demonstrate that the wavenumber of the A(1g) vibration is proportional to the tetragonality, the remnant polarization, and the piezoelectric coefficients of these materials. Thus, Raman spectroscopy appears as a very useful technique for a fast evaluation of the crystalline structure and the ferroelectric/ piezoelectric properties.

Quantitative Raman spectroscopy as a tool to study the kinetics and formation mechanism of carbonates.

PubMed

Bonales, L J; Muñoz-Iglesias, V; Santamaría-Pérez, D; Caceres, M; Fernandez-Remolar, D; Prieto-Ballesteros, O

2013-12-01

We have carried out a systematic study of abiotic precipitation at different temperatures of several Mg and Ca carbonates (calcite, nesquehonite, hydrocalcite) present in carbonaceous chondrites. This study highlights the capability of Raman spectroscopy as a primary tool for performing full mineralogical analysis. The precipitation reaction and the structure of the resulting carbonates were monitored and identified with Raman spectroscopy. Raman spectroscopy enabled us to confirm that the precipitation reaction is very fast (minutes) when Ca(II) is present in the solution, whereas for Mg(II) such reactions developed at rather slow rates (weeks). We also observed that both the composition and the reaction mechanisms depended on temperature, which might help to clarify several issues in the fields of planetology and geology, because of the environmental implications of these carbonates on both terrestrial and extraterrestrial objects. Copyright © 2013 Elsevier B.V. All rights reserved.

[Study on Identification of Three Medicinal Plant Leaves from Elaeagnus Genus by Infrared Spectroscopy].

PubMed

Zhang, Fei; Li, Lu-yang; Ding, Qi; Hu, Ji-qing; Long, Wei-fang; Wan, Ding-rong

2015-01-01

To study and identify the three species of dry medicinal plant leaves trom Elaeagnus genus (E. pungens, E. lanceolata and E. henryi) by Infrared Spectroscopy(IR). Fourier transform infrared spectroscopy and second derivative infrared spectroscopy were used to study and compare the characteristics of leaves of three Elaeagnus medicinal plants. The IR spectra and second derivative infrared spectra of the three Elaeagnus plants leaves were similar on the whole, the intensity or ratio of intensity of some absorption peaks still had certain distinctions, and the differences of the second derivative infrared spectra were more obvious. There were only slight differences between large and small leaf type of samples of Elaeagnus lanceolata; the differences of the plant leaves of one species collected in different harvest periods were far smaller than those of others belonging to the same genus. IR can be relatively reliably used for identification of the three Elaeagnus leaves.

Ultrafast electron transfer processes studied by pump-repump-probe spectroscopy.

PubMed

Fischer, Martin K; Gliserin, Alexander; Laubereau, Alfred; Iglev, Hristo

2011-03-01

The photodetachment of Br(-), I(-) and OH(-) in aqueous solution is studied by 2- and 3-pulse femtosecond spectroscopy. The UV excitation leads to fast electron separation followed by formation of a donor-electron pairs. An additional repump pulse is used for secondary excitation of the intermediates. The 3-pulse technique allows distinguishing the pair-intermediate from the fully separated electron. Using this method we observe a novel geminate recombination channel of .OH with adjacent hydrated electrons. The process leads to an ultrafast quenching (0.7 ps) of almost half the initial number of radicals. The phenomenon is not observed in Br(-) and I(-). Our results demonstrate the potential of the 3-pulse spectroscopy to elucidate the mechanism of ultrafast ET reactions. Photodetachment of aqueous anions studied by two- and three pulse spectroscopy. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A comparison of antioxidative capacities of fruit juices, drinks and nectars, as determined by EPR and UV-vis spectroscopies.

PubMed

Bartoszek, Mariola; Polak, Justyna

2016-01-15

The differences in the Trolox Equivalent Antioxidant Capacity (TEAC) values at the same incubation time obtained by two different techniques: electron paramagnetic resonance (EPR) spectroscopy and ultraviolet visible (UV-vis) spectroscopy, which use the same antioxidant-free radical reaction mechanism, were determined for fruit juices, nectars and drinks. For this study, the stable free radical 1,1-Diphenyl-2-picryl-hydrazyl (DPPH(•)) was used. The antioxidant capacity was presented in Trolox Equivalents, e.g., μM trolox per 100 ml of sample. All of the studied fruit juices, drinks and nectars showed antioxidative properties. Dependencies between TEAC values and the percent fruit content and sample color were observed for the studied beverages. It was found that EPR spectroscopy is the more adequate method for determining TEAC values for these kinds of samples. Copyright © 2015 Elsevier B.V. All rights reserved.

Using Raman Spectroscopy and Surface-Enhanced Raman Scattering to Identify Colorants in Art: An Experiment for an Upper-Division Chemistry Laboratory

ERIC Educational Resources Information Center

Mayhew, Hannah E.; Frano, Kristen A.; Svoboda, Shelley A.; Wustholz, Kristin L.

2015-01-01

Surface-enhanced Raman scattering (SERS) studies of art represent an attractive way to introduce undergraduate students to concepts in nanoscience, vibrational spectroscopy, and instrumental analysis. Here, we present an undergraduate analytical or physical chemistry laboratory wherein a combination of normal Raman and SERS spectroscopy is used to…

Time-resolved vibrational spectroscopy

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

Tokmakoff, Andrei; Champion, Paul; Heilweil, Edwin J.

2009-05-14

This document contains the Proceedings from the 14th International Conference on Time-Resolved Vibrational Spectroscopy, which was held in Meredith, NH from May 9-14, 2009. The study of molecular dynamics in chemical reaction and biological processes using time-resolved spectroscopy plays an important role in our understanding of energy conversion, storage, and utilization problems. Fundamental studies of chemical reactivity, molecular rearrangements, and charge transport are broadly supported by the DOE's Office of Science because of their role in the development of alternative energy sources, the understanding of biological energy conversion processes, the efficient utilization of existing energy resources, and the mitigation ofmore » reactive intermediates in radiation chemistry. In addition, time-resolved spectroscopy is central to all fiveof DOE's grand challenges for fundamental energy science. The Time-Resolved Vibrational Spectroscopy conference is organized biennially to bring the leaders in this field from around the globe together with young scientists to discuss the most recent scientific and technological advances. The latest technology in ultrafast infrared, Raman, and terahertz spectroscopy and the scientific advances that these methods enable were covered. Particular emphasis was placed on new experimental methods used to probe molecular dynamics in liquids, solids, interfaces, nanostructured materials, and biomolecules.« less

Label-free imaging and spectroscopy for early detection of cervical cancer.

PubMed

Jing, Yueyue; Wang, Yulan; Wang, Xinyi; Song, Chuan; Ma, Jiong; Xie, Yonghui; Fei, Yiyan; Zhang, Qinghua; Mi, Lan

2018-05-01

The label-free imaging and spectroscopy method was studied on cervical unstained tissue sections obtained from 36 patients. The native fluorescence spectra of tissues are analyzed by the optical redox ratio (ORR), which is defined as fluorescence intensity ratio between NADH and FAD, and indicates the metabolism change with the cancer development. The ORRs of normal tissues are consistently higher than those of precancer or cancerous tissues. A criterion line of ORR at 5.0 can be used to discriminate cervical precancer/cancer from normal tissues. The sensitivity and specificity of the native fluorescence spectroscopy method for cervical cancer diagnosis are determined as 100% and 91%. Moreover, the native fluorescence spectroscopy study is much more sensitive on the healthy region of cervical precancer/cancer patients compared with the traditional clinical staining method. The results suggest label-free imaging and spectroscopy is a fast, highly sensitive and specific method on the detection of cervical cancer. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Santorini, Another Meteorite on Mars and Third of a Kind

NASA Technical Reports Server (NTRS)

Schroeder, C.; Ashley, J. W.; Chapman, M. G.; Cohen, B. A.; Farrand, W. H.; Fleischer, I.; Gellert, R.; Herkenhoff, K. E.; Johnson, J. R.; Jolliff, B. L.;

Synthesis and Study of Silver Nanoparticles

ERIC Educational Resources Information Center

Soloman, Sally D.; Bahadory, Mozghan; Jeyarajasingam, Aravindan V.; Rutkowsky, Susan A.; Boritz, Charles; Mulfinger, Lorraine

2007-01-01

A laboratory experiment was conducted in which the students synthesized yellow colloidal silver, estimate particle size using visible spectroscopy and studied aggregation effects. The students were thus introduced to nanotechnology along with other topics such as redox chemistry, limiting and excess reactants, spectroscopy and atomic size.

[Study on different extracts of Chrysanthemum indicum by Fourier transform infrared spectroscopy].

PubMed

Zhang, Yan-Ling; Xia, Yuan; Tsogt; Zhou, Qun; Sun, Su-Qin

2012-12-01

According to the macro-fingerprint characteristic of infrared spectroscopy, Fourier transform infrared spectroscopy and second-derivative infrared spectroscopy were used to analyze the extracts of chrysanthemum indicum L. by different solvents. It was speculated preliminarily that the main component of petroleum ether extract was long chain fatty acids (esters) and terpenes of small molecules, ethyl acetate extract contains terpenes and flavonoids mainly, ethanol and 95% ethanol extract was mainly composed of flavonoids and flavonoid glycosides, and deionized water extract contains polysaccharides and tannins mainly. Besides, the content of flavonoids in ethanol extract is the highest by comparison of the infrared spectroscopy of different extracts with that of buddleoside. Thus, the infrared spectroscopy can analyze directly the extracts of traditional Chinese medicines, recognize the main ingredient preliminarily, and then supply directional reference for further planning the extract scheme and detection methods.

High Resolution Spectroscopy of 1,2-Difluoroethane in a Molecular Beam: A Case Study of Vibrational Mode-Coupling

DTIC Science & Technology

1992-05-29

Spectroscopy of 1,2- Difluoroethane in a Molecular Beam: A Case Study of Vibrational Mode-Coupling by Steven W. Mork, C. Cameron Miller, and Laura A...and sale; its distribution is unlimited. 92-14657 l9lll l l l , II a HIGH RESOLUTION SPECTROSCOPY OF 1,2- DIFLUOROETHANE IN A MOLECULAR BEAM: A CASE...14853-1301 Abstract The high resolution infrared spectrum of 1,2- difluoroethane (DFE) in a molecular beam has been obtained over the 2978-2996 cm-1

Time-gated real-time pump-probe imaging spectroscopy

NASA Astrophysics Data System (ADS)

Ferrari, Raffaele; D'Andrea, Cosimo; Bassi, Andrea; Valentini, Gianluca; Cubeddu, Rinaldo

2007-07-01

An experimental technique which allows one to perform pump-probe transient absorption spectroscopy in real-time is an important tool to study irreversible processes. This is particularly interesting in the case of biological samples which easily deteriorate upon exposure to light pulses, with the formation of permanent photoproducts and structural changes. In particular pump-probe spectroscopy can provide fundamental information for the design of optical chromophores. In this work a real-time pump-probe imaging spectroscopy system has been realized and we have explored the possibility to further reduce the number of laser pulses by using a time-gated camera. We believe that the use of a time-gated camera can provide an important step towards the final goal of pump-probe single shot spectroscopy.

Gas in Protoplanetary and Debris Disks: Insights from UV Spectroscopy

NASA Technical Reports Server (NTRS)

Roberge, Aki

2008-01-01

Over the last two decades, observations of protoplanetary and debris disks have played an important role in the new field of extrasolar planetary studies. Many are familiar with the extensive work on the cold circumstellar dust present in these disks done using infrared and sub-millimeter photometry and spectroscopy. However. UV spectroscopy has made some unique contributions by probing the elusive but vital gas component in protoplanetary and debris disks. In this talk, I will outline our picture of the evolution of protoplanetary disks and discuss the importance of the gas component. New insights obtained from UV spectroscopy will be highlighted, as well as some new puzzles. Finally, I will touch on upcoming studies of gas in protoplanetary and debris disks, some at UV wavelengths, some at far-IR and sub-mm wavelengths.

Relaxation processes in disaccharide sugar glasses

NASA Astrophysics Data System (ADS)

Hwang, Yoon-Hwae; Kwon, Hyun-Joung; Seo, Jeong-Ah; Shin, Dong-Myeong; Ha, Ji-Hye; Kim, Hyung-Kook

2013-02-01

We represented relaxation processes of disaccharide sugars (anhydrous trehalose and maltose) in supercooled and glassy states by using several spectroscopy techniques which include a broadband dielectric loss spectroscopy, photon correlation spectroscopy and X-ray diffraction (Retvield analysis) methods which are powerful tools to measure the dynamics in glass forming materials. In a dielectric loss spectroscopy study, we found that anhydrous trehalose and maltose glasses have an extra relaxation process besides α-, JG β- and γ-relaxations which could be related to a unique property of glycoside bond in disaccharides. In photon correlation spectroscopy study, we found an interesting compressed exponential relaxation at temperatures above 140°C. The q-1 dependence of its relaxation time corresponds to an ultraslow ballistic motion due to the local structure rearrangements. In the same temperature range, we found the glycosidic bond structure changes in trehalose molecule from the Raman and the Retvield X-ray diffraction measurements indicating that the observed compressed exponential relaxation in supercooled liquid trehalose could be resulted in the glycosidic bond structure change. Therefore, the overall results from this study might support the fact that the superior bioprotection ability of disaccharide sugar glasses might originate from this unique relaxation process of glycosidic bond.

Photochemical degradation of polymeric coatings on mirrors as studied in situ using FT-IR reflection-absorbance spectroscopy

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

Webb, J.D.; Schissel, P.; Czanderna, A.W.

1981-12-01

Reflection-absorbance spectroscopy has been used to obtain analytical information on samples of polymer/metal multilayer stacks subjected to degradative factors. The capabilities of the apparatus are summarized and representative data from initial studies are presented. (LEW)

Rotational Mobility in a Crystal Studied by Dielectric Relaxation Spectroscopy

ERIC Educational Resources Information Center

Dionisio, Madalena S. C.; Diogo, Herminio P.; Farinha, J. P. S.; Ramos, Joaquim J. Moura

2005-01-01

A laboratory experiment for undergraduate physical chemistry courses that uses the experimental technique of dielectric relaxation spectroscopy to study molecular mobility in a crystal is proposed. An experiment provides an excellent opportunity for dealing with a wide diversity of important basic concepts in physical chemistry.

Molecular dynamics simulation of nonlinear spectroscopies of intermolecular motions in liquid water.

PubMed

Yagasaki, Takuma; Saito, Shinji

2009-09-15

Water is the most extensively studied of liquids because of both its ubiquity and its anomalous thermodynamic and dynamic properties. The properties of water are dominated by hydrogen bonds and hydrogen bond network rearrangements. Fundamental information on the dynamics of liquid water has been provided by linear infrared (IR), Raman, and neutron-scattering experiments; molecular dynamics simulations have also provided insights. Recently developed higher-order nonlinear spectroscopies open new windows into the study of the hydrogen bond dynamics of liquid water. For example, the vibrational lifetimes of stretches and a bend, intramolecular features of water dynamics, can be accurately measured and are found to be on the femtosecond time scale at room temperature. Higher-order nonlinear spectroscopy is expressed by a multitime correlation function, whereas traditional linear spectroscopy is given by a one-time correlation function. Thus, nonlinear spectroscopy yields more detailed information on the dynamics of condensed media than linear spectroscopy. In this Account, we describe the theoretical background and methods for calculating higher order nonlinear spectroscopy; equilibrium and nonequilibrium molecular dynamics simulations, and a combination of both, are used. We also present the intermolecular dynamics of liquid water revealed by fifth-order two-dimensional (2D) Raman spectroscopy and third-order IR spectroscopy. 2D Raman spectroscopy is sensitive to couplings between modes; the calculated 2D Raman signal of liquid water shows large anharmonicity in the translational motion and strong coupling between the translational and librational motions. Third-order IR spectroscopy makes it possible to examine the time-dependent couplings. The 2D IR spectra and three-pulse photon echo peak shift show the fast frequency modulation of the librational motion. A significant effect of the translational motion on the fast frequency modulation of the librational motion is elucidated by introducing the "translation-free" molecular dynamics simulation. The isotropic pump-probe signal and the polarization anisotropy decay show fast transfer of the librational energy to the surrounding water molecules, followed by relaxation to the hot ground state. These theoretical methods do not require frequently used assumptions and can thus be called ab initio methods; together with multidimensional nonlinear spectroscopies, they provide powerful methods for examining the inter- and intramolecular details of water dynamics.

Inhibition of 53BP1: Potential for Restoring Homologous Recombination In Ovarian Cancer Cells

DTIC Science & Technology

2017-08-01

crystallography ; NMR spectroscopy; Calorimetry 16. SECURITY CLASSIFICATION OF: 17. LIMITATION OF ABSTRACT 18. NUMBER OF PAGES 19a. NAME OF RESPONSIBLE...ray crystallography ; NMR spectroscopy; Calorimetry 3. ACCOMPLISHMENTS: The PI is reminded that the recipient organization is required to obtain...originally planned. Each aim combines structural studies using X-ray crystallography or nuclear magnetic resonance (NMR) spectroscopy and functional

A consumer`s guide to lattice QCD results

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

DeGrand, T.

1994-12-01

The author presents an overview of recent lattice QCD results on hadron spectroscopy and matrix elements. Case studies include light quark spectroscopy, the determination of {alpha}{sub s} from heavy quark spectroscopy, the D-meson decay constant, a calculation of the Isgur-Wise function, and some examples of the (lack of) effect of sea quarks on matrix elements. The review is intended for the nonexpert.

A Decline in Intraoperative Renal Near-Infrared Spectroscopy Is Associated With Adverse Outcomes in Children Following Cardiac Surgery.

PubMed

Gist, Katja M; Kaufman, Jonathan; da Cruz, Eduardo M; Friesen, Robert H; Crumback, Sheri L; Linders, Megan; Edelstein, Charles; Altmann, Christopher; Palmer, Claire; Jalal, Diana; Faubel, Sarah

2016-04-01

Renal near-infrared spectroscopy is known to be predictive of acute kidney injury in children following cardiac surgery using a series of complex equations and area under the curve. This study was performed to determine if a greater than or equal to 20% reduction in renal near-infrared spectroscopy for 20 consecutive minutes intraoperatively or within the first 24 postoperative hours is associated with 1) acute kidney injury, 2) increased acute kidney injury biomarkers, or 3) other adverse clinical outcomes in children following cardiac surgery. Prospective single center observational study. Pediatric cardiac ICU. Children less than or equal to age 4 years who underwent cardiac surgery with the use of cardiopulmonary bypass during the study period (June 2011-July 2012). None. A reduction in near-infrared spectroscopy was not associated with acute kidney injury. Nine of 12 patients (75%) with a reduction in renal near-infrared spectroscopy did not develop acute kidney injury. The remaining three patients had mild acute kidney injury (pediatric Risk, Injury, Failure, Loss, End stage-Risk). A reduction in renal near-infrared spectroscopy was associated with the following adverse clinical outcomes: 1) a longer duration of mechanical ventilation (p = 0.05), 2) longer intensive care length of stay (p = 0.05), and 3) longer hospital length of stay (p < 0.01). A decline in renal near-infrared spectroscopy in combination with an increase in serum interleukin-6 and serum interleukin-8 was associated with a longer intensive care length of stay, and the addition of urine interleukin-18 to this was associated with a longer hospital length of stay. In this cohort, the rate of acute kidney injury was much lower than anticipated thereby limiting the evaluation of a reduction in renal near-infrared spectroscopy as a predictor of acute kidney injury. A greater than or equal to 20% reduction in renal near-infrared spectroscopy was significantly associated with adverse outcomes in children following cardiac surgery. The addition of specific biomarkers to the model was predictive of worse outcomes in these patients. Thus, real-time evaluation of renal near-infrared spectroscopy using the specific levels of change of a 20% reduction for 20 minutes may be useful in predicting prolonged mechanical ventilation and other adverse outcomes in children undergoing cardiac surgery.

Raman structural studies of the nickel electrode

NASA Technical Reports Server (NTRS)

Cornilsen, Bahne C.

1994-01-01

The objectives of this investigation have been to define the structures of charged active mass, discharged active mass, and related precursor materials (alpha-phases), with the purpose of better understanding the chemical and electrochemical reactions, including failure mechanisms and cobalt incorporation, so that the nickel electrode may be improved. Although our primary tool has been Raman spectroscopy, the structural conclusions drawn from the Raman data have been supported and augmented by three other analysis methods: infrared spectroscopy, powder X-ray Diffraction (XRD), and x-ray absorption spectroscopy (in particular EXAFS, Extended X-ray Absorption Fine Structure spectroscopy).

Periodontitis diagnostics using resonance Raman spectroscopy on saliva

NASA Astrophysics Data System (ADS)

Gonchukov, S.; Sukhinina, A.; Bakhmutov, D.; Biryukova, T.; Tsvetkov, M.; Bagratashvily, V.

2013-07-01

In view of its wealth of molecular information, Raman spectroscopy has been the subject of active biomedical research. The aim of this work is Raman spectroscopy (RS) application for the determination of molecular biomarkers in saliva with the objective of early periodontitis detection. As was shown in our previous study, carotenoids contained in saliva can be molecular fingerprint information for the periodontitis level. It is shown here that the carotenoid RS lines at wavenumbers of 1156 and 1524 cm-1 can be easily detected and serve as reliable biomarkers of periodontitis using resonance Raman spectroscopy of dry saliva.

Preface

NASA Astrophysics Data System (ADS)

Jung, Young Mee; Baranska, Malgorzata

2018-05-01

This special issue of the Spectrochimica Acta A is dedicated to the retirement of Professor Yukihiro Ozaki of Kwansei Gakuin University, Japan as an internationally well recognized scientist in molecular spectroscopy studies including vibrational and electronic spectroscopy.

Electrical impedance measurements in the arm and the leg during a thirty day bed rest study

NASA Technical Reports Server (NTRS)

Cardus, David; Jaweed, Mazher; McTaggart, Wesley

1995-01-01

The need to detect, follow, and understand the effects of gravity on body fluid distribution is a constant stimulus to the quest for new techniques in this area of research. One of these techniques is electrical bioimpedance spectroscopy (BIS). Although not new, this is a technique whose applications to biomedical research are fairly recent. What is new is the development of instrumentation that has made practical the use of impedance spectroscopy in the biomedical setting, particularly in studies involving human subjects. The purpose of this paper is to report impedance spectroscopy observations made on a subject who was submitted to bed rest for a period of thirty days. These observations were made as part of a study on muscle atrophy during a thirty day head down bed rest. Since bed rest studies are very costly in human and financial terms, and technically difficult to realize, we felt that even though the present study deals only with a single case it was worthy of reporting because it illustrates kinds of questions impedance spectroscopy may help to answer in microgravity research.

Shelf life study of egg albumin in pasteurized and non-pasteurized eggs using visible-near infrared spectroscopy

USDA-ARS?s Scientific Manuscript database

A twelve week shelf life study was conducted on the egg albumen from both pasteurized and non-pasteurized shell eggs using visible-near infrared spectroscopy. The goal of the study was to correlate the chemical changes detected in the spectra to the measurement of Haugh units (measure of interior eg...

Studies on lasers and laser devices

NASA Technical Reports Server (NTRS)

Harris, S. E.; Siegman, A. E.; Young, J. F.

1983-01-01

The goal of this grant was to study lasers, laser devices, and uses of lasers for investigating physical phenomena are studied. The active projects included the development of a tunable, narrowband XUV light source and its application to the spectroscopy of core excited atomic states, and the development of a technique for picosecond time resolution spectroscopy of fast photophysical processes.

Discrimination of Fritillary according to geographical origin with Fourier transform infrared spectroscopy and two-dimensional correlation IR spectroscopy.

PubMed

Hua, Rui; Sun, Su-Qin; Zhou, Qun; Noda, Isao; Wang, Bao-Qin

2003-09-19

Fritillaria is a traditional Chinese herbal medicine for eliminating phlegm and relieving a cough with a long history in China and some other Asian countries. The objective of this study is to develop a nondestructive and accurate method to discriminate Fritillaria of different geographical origins, which is a troublesome work by existing analytical methods. We conducted a systematic study on five kinds of Fritillaria by Fourier transform infrared spectroscopy, second derivative infrared spectroscopy, and two-dimensional (2D) correlation infrared spectroscopy under thermal perturbation. Because Fritillaria consist of a large amount of starch, the conventional IR spectra of different Fritillaria only have very limited spectral feature differences. Based on these differences, we can separate different Fritillaria to a limited extent, but this method was deemed not very practical. The second derivative IR spectra of Fritillaria could enhance spectrum resolution, amplify the differences between the IR spectra of different Fritillaria, and provide some dissimilarity in their starch content, when compared with the spectrum of pure starch. Finally, we applied thermal perturbation to Fritillaria and analyzed the resulting spectra by the 2D correlation method to distinguish different Fritillaria easily and clearly. The distinction of very similar Fritillaria was possible because the spectral resolution was greatly enhanced by the 2D correlation spectroscopy. In addition, with the dynamic information of molecular structure provided by 2D correlation IR spectra, we studied the differences in the stability of active components of Fritillaria. The differences embodied mainly on the intensity ratio of the auto-peak at 985 cm(-1) and other auto-peaks. The 2D correlation IR spectroscopy (2D IR) of Fritillaria can be a new and powerful method to discriminate Fritillaria.

Proceedings of the 3rd US-Japan Workshop on Plasma Polarization Spectroscopy

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

Beiersdorfer, P; Flyimoto, T

The third US-Japan Workshop on Plasma Polarization Spectroscopy was held at the Lawrence Livermore National Laboratory in Livermore, California, on June 18-21, 2001. The talks presented at this workshop are summarized in these proceedings. The papers cover both experimental investigation and applications of plasma polarization spectroscopy as well as the theoretical foundation and formalisms to understand and describe the polarization phenomena. The papers give an overview of the history of plasma polarization spectroscopy, derive the formal aspects of polarization spectroscopy, including the effects of electric and magnetic fields, discuss spectra perturbed by intense microwave fields, charge exchange, and dielectronic recombination,more » and present calculations of various collisional excitation and ionization cross sections and the modeling of plasma polarization spectroscopy phenomena. Experimental results are given from the WT-3 tokamak, the MST reverse field pinch, the Large Helical Device, the GAMMA 10 mirror machine, the Nevada Terrawatt Facility, the Livermore EBIT-II electron beam ion trap, and beam-foil spectroscopy. In addition, results were presented from studies of several laser-produced plasma experiments and new instrumental techniques were demonstrated.« less

MINERALOGY AND CHARACTERIZATION OF ARSENIC, IRON, AND LEAD IN A MINE WASTE-DERIVED FERTILIZER

EPA Science Inventory

The solid-state speciation of arsenic (As), iron (Fe), and lead (Pb) was studied in the mine waste-derived fertilizer Ironite using X-ray absorption spectroscopy, Mössbauer spectroscopy, and aging studies. Arsenic was primarily associated with ferrihydrite (60-70%) with the rema...

X-ray Photoelectron Spectroscopy (XPS), Rutherford Back Scattering (RBS) studies

NASA Technical Reports Server (NTRS)

Neely, W. C.; Bozak, M. J.; Williams, J. R.

1993-01-01

X-ray photoelectron spectroscopy (XPS), Rutherford Back Scattering (RBS) studies of each of sample received were completed. Since low angle X-ray could not be performed because of instrumentation problems, Auger spectrometry was employed instead. The results of these measurements for each of the samples is discussed in turn.

Correction: Shell-isolated nanoparticle-enhanced Raman spectroscopy study of the adsorption behaviour of DNA bases on Au(111) electrode surfaces.

PubMed

Wen, Bao-Ying; Jin, Xi; Li, Yue; Wang, Ya-Hao; Li, Chao-Yu; Liang, Miao-Miao; Panneerselvam, Rajapandiyan; Xu, Qing-Chi; Wu, De-Yin; Yang, Zhi-Lin; Li, Jian-Feng; Tian, Zhong-Qun

2016-06-21

Correction for 'Shell-isolated nanoparticle-enhanced Raman spectroscopy study of the adsorption behaviour of DNA bases on Au(111) electrode surfaces' by Bao-Ying Wen et al., Analyst, 2016, DOI: 10.1039/c6an00180g.

What We Might Know About Gusev Crater if the Mars Exploration Rover Spirit Mission were Coupled with a Mars Sample Return Mission

NASA Technical Reports Server (NTRS)

Morris, Richard V.

2008-01-01

The science instruments on the Mars Exploration Rover (MER) Spirit have provided an enormous amount of chemical and mineralogical data during more than 1450 sols of exploration at Gusev crater. The Moessbauer (MB) instrument identified 10 Fe-bearing phases at Gusev Crater: olivine, pyroxene, ilmenite, chromite, and magnetite as primary igneous phases and nanophase ferric oxide (npOx), goethite, hematite, a ferric sulfate, and pyrite/marcusite as secondary phases. The Miniature Thermal Emission Spectrometer (Mini-TES) identified some of these Fe-bearing phases (olivine and pyroxene), non- Fe-bearing phases (e.g., feldspar), and an amorphous high-SiO2 phase near Home Plate. Chemical data from the Alpha Particle X-Ray Spectrometer (APXS) provided the framework for rock classification, chemical weathering/alteration, and mineralogical constraints. APXS-based mineralogical constraints include normative calculations (with Fe(3+)/FeT from MB), elemental associations, and stoichiometry (e.g., 90% SiO2 implicates opalline silica). If Spirit had cached a set of representative samples and if those samples were returned to the Earth for laboratory analysis, what value is added by Mars Sample return (MSR) over and above the mineralogical and chemical data provided by MER?

Development and implementation of software systems for imaging spectroscopy

USGS Publications Warehouse

Boardman, J.W.; Clark, R.N.; Mazer, A.S.; Biehl, L.L.; Kruse, F.A.; Torson, J.; Staenz, K.

2006-01-01

Specialized software systems have played a crucial role throughout the twenty-five year course of the development of the new technology of imaging spectroscopy, or hyperspectral remote sensing. By their very nature, hyperspectral data place unique and demanding requirements on the computer software used to visualize, analyze, process and interpret them. Often described as a marriage of the two technologies of reflectance spectroscopy and airborne/spaceborne remote sensing, imaging spectroscopy, in fact, produces data sets with unique qualities, unlike previous remote sensing or spectrometer data. Because of these unique spatial and spectral properties hyperspectral data are not readily processed or exploited with legacy software systems inherited from either of the two parent fields of study. This paper provides brief reviews of seven important software systems developed specifically for imaging spectroscopy.

Raman and Photoluminescence Spectroscopy in Mineral Identification

NASA Astrophysics Data System (ADS)

Kuehn, J. W.

2014-06-01

Raman spectroscopy is particularly useful for rapid identification of minerals and gemstones. Raman spectrometers also allow PL studies for authentication of samples and geological provenance, diamond type screening and detection of HPHT treatments.

[Classification of results of studying blood plasma with laser correlation spectroscopy based on semiotics of preclinical and clinical states].

PubMed

Ternovoĭ, K S; Kryzhanovskiĭ, G N; Musiĭchuk, Iu I; Noskin, L A; Klopov, N V; Noskin, V A; Starodub, N F

1998-01-01

The usage of laser correlation spectroscopy for verification of preclinical and clinical states is substantiated. Developed "semiotic" classifier for solving the problems of preclinical and clinical states is presented. The substantiation of biological algorithms as well as the mathematical support and software for the proposed classifier for the data of laser correlation spectroscopy of blood plasma are presented.

Environmentally Controlled Infrared Spectroscopy System for Fundamental Studies of Polymer Electrolyte Membranes

DTIC Science & Technology

2015-10-15

to state-of- hydration . Polarization modulated infrared reflection- absorption spectroscopy experiments are enabled by the use of a spin-coater to coat...NAME(S) AND ADDRESS (ES) U.S. Army Research Office P.O. Box 12211 Research Triangle Park, NC 27709-2211 SPEEK, Nafion, Ionomers, state-of- hydration ...enabled correlation of the exchange site structure to state-of- hydration . Polarization modulated infrared reflection-absorption spectroscopy experiments

Using solid 13C NMR coupled with solution 31P NMR spectroscopy to investigate molecular species and lability of organic carbon and phosphorus from aquatic plants in Tai Lake, China

USDA-ARS?s Scientific Manuscript database

Aquatic plants are involved in the storage and release capacity for organic matter and nutrients. In this study, solid 13C and solution 31P nuclear magnetic resonance (NMR) spectroscopy were used to characterize the biomass samples of six aquatic plants. Solid 13C NMR spectroscopy revealed the domin...

Solar hydrogen and solar electricity using mesoporous materials

NASA Astrophysics Data System (ADS)

Mahoney, Luther

The development of cost-effective materials for effective utilization of solar energy is a major challenge for solving the energy problems that face the world. This thesis work relates to the development of mesoporous materials for solar energy applications in the areas of photocatalytic water splitting and the generation of electricity. Mesoporous materials were employed throughout the studies because of their favorable physico-chemical properties such as high surface areas and large porosities. The first project was related to the use of a cubic periodic mesoporous material, MCM-48. The studies showed that chromium loading directly affected the phase of mesoporous silica formed. Furthermore, within the cubic MCM-48 structure, the loading of polychromate species determined the concentration of solar hydrogen produced. In an effort to determine the potential of mesoporous materials, titanium dioxide was prepared using the Evaporation-Induced Self-Assembly (EISA) synthetic method. The aging period directly determined the amount of various phases of titanium dioxide. This method was extended for the preparation of cobalt doped titanium dioxide for solar simulated hydrogen evolution. In another study, metal doped systems were synthesized using the EISA procedure and rhodamine B (RhB) dye sensitized and metal doped titania mesoporous materials were evaluated for visible light hydrogen evolution. The final study employed various mesoporous titanium dioxide materials for N719 dye sensitized solar cell (DSSC) materials for photovoltaic applications. The materials were extensively characterized using powder X-ray diffraction (XRD), nitrogen physisorption, diffuse reflectance spectroscopy (DRS), UV-Vis spectroscopy, Fourier-Transform-Infrared Spectroscopy (FT-IR), Raman spectroscopy, chemisorption, photoluminescence (PL), X-ray photoelectron spectroscopy (XPS), and transmission electron microscopy (TEM). In addition, photoelectrochemical measurements were completed using current-voltage (I-V) curves, external quantum efficiency (EQE) curves, electrochemical impedance spectroscopy (EIS), and transient spectroscopy. The thesis work presented provides a better understanding of the role of mesoporous materials for solar hydrogen and solar electricity production.

Accuracy of Raman spectroscopy in differentiating brain tumor from normal brain tissue.

PubMed

Zhang, Jing; Fan, Yimeng; He, Min; Ma, Xuelei; Song, Yanlin; Liu, Ming; Xu, Jianguo

2017-05-30

Raman spectroscopy could be applied to distinguish tumor from normal tissues. This meta-analysis was conducted to assess the accuracy of Raman spectroscopy in differentiating brain tumor from normal brain tissue. PubMed and Embase were searched to identify suitable studies prior to Jan 1st, 2016. We estimated the pooled sensitivity, specificity, positive and negative likelihood ratios (LR), diagnostic odds ratio (DOR), and constructed summary receiver operating characteristics (SROC) curves to identity the accuracy of Raman spectroscopy in differentiating brain tumor from normal brain tissue. A total of six studies with 1951 spectra were included. For glioma, the pooled sensitivity and specificity of Raman spectroscopy were 0.96 (95% CI 0.94-0.97) and 0.99 (95% CI 0.98-0.99), respectively. The area under the curve (AUC) was 0.9831. For meningioma, the pooled sensitivity and specificity were 0.98 (95% CI 0.94-1.00) and 1.00 (95% CI 0.98-1.00), respectively. The AUC was 0.9955. This meta-analysis suggested that Raman spectroscopy could be an effective and accurate tool for differentiating glioma and meningioma from normal brain tissue, which would help us both avoid removal of normal tissue and minimize the volume of residual tumor.

In vivo native fluorescence spectroscopy and nicotinamide adinine dinucleotide/flavin adenine dinucleotide reduction and oxidation states of oral submucous fibrosis for chemopreventive drug monitoring

NASA Astrophysics Data System (ADS)

Sivabalan, Shanmugam; Vedeswari, C. Ponranjini; Jayachandran, Sadaksharam; Koteeswaran, Dornadula; Pravda, Chidambaranathan; Aruna, Prakasa Rao; Ganesan, Singaravelu

2010-01-01

Native fluorescence spectroscopy has shown potential to characterize and diagnose oral malignancy. We aim at extending the native fluorescence spectroscopy technique to characterize normal and oral submucous fibrosis (OSF) patients under pre- and post-treated conditions, and verify whether this method could also be considered in the monitoring of therapeutic prognosis noninvasively. In this study, 28 normal subjects and 28 clinically proven cases of OSF in the age group of 20 to 40 years are diagnosed using native fluorescence spectroscopy. The OSF patients are given dexamethasone sodium phosphate and hyaluronidase twice a week for 6 weeks, and the therapeutic response is monitored using fluorescence spectroscopy. The fluorescence emission spectra of normal and OSF cases of both pre- and post-treated conditions are recorded in the wavelength region of 350 to 600 nm at an excitation wavelength of 330 nm. The statistical significance is verified using discriminant analysis. The oxidation-reduction ratio of the tissue is also calculated using the fluorescence emission intensities of flavin adenine dinucleotide and nicotinamide adinine dinucleotide at 530 and 440 nm, respectively, and they are compared with conventional physical clinical examinations. This study suggests that native fluorescence spectroscopy could also be extended to OSF diagnosis and therapeutic prognosis.

Discrimination of different genuine Danshen and their extracts by Fourier transform infrared spectroscopy combined with two-dimensional correlation infrared spectroscopy

NASA Astrophysics Data System (ADS)

Liu, Xin-hu; Xu, Chang-hua; Sun, Su-qin; Huang, Jian; Zhang, Ke; Li, Guo-yu; Zhu, Yun; Zhou, Qun; Zhang, Zhi-cheng; Wang, Jin-hui

2012-11-01

In this study, six varieties of Danshen from different populations and genuine ("Daodi" in Chinese transliteration) regions were discriminated and identified by a three-step infrared spectroscopy method (Fourier transform-infrared spectroscopy (FT-IR) coupled with second derivative infrared spectroscopy (SD-IR) and two dimensional correlation infrared spectroscopy (2D-IR)). Though only small differences were found among the FT-IR spectra of the six Danshen samples, the positions and intensities of peaks at 3393, 3371, 1613, 1050, and 1036 cm-1 could be considered as the key factors to discriminate them. More significant differences were exhibited in their SD-IR, particularly for the peaks around 1080, 1144, 695, 665, 800, 1610, 1510, 1450, 1117 and 1077 cm-1. The visual 2D-IR spectra provided dynamic chemical structure information of the six Danshen samples with presenting different particular auto-peak clusters, respectively. Moreover, the contents of salvianolic acid B in all samples were measured quantitatively by a validated ultra performance liquid chromatography (UPLC), which was consistent with the FT-IR findings. This study provides a promising method for characteristics and quality control of the complicated and extremely similar herbal medicine like Danshen, which is more cost effective and time saving.

Applications of synchrotron-based spectroscopic techniques in studying nucleic acids and nucleic acid-functionalized nanomaterials

PubMed Central

Wu, Peiwen; Yu, Yang; McGhee, Claire E.; Tan, Li Huey

2014-01-01

In this review, we summarize recent progresses in the application of synchrotron-based spectroscopic techniques for nucleic acid research that takes advantage of high-flux and high-brilliance electromagnetic radiation from synchrotron sources. The first section of the review focuses on the characterization of the structure and folding processes of nucleic acids using different types of synchrotron-based spectroscopies, such as X-ray absorption spectroscopy, X-ray emission spectroscopy, X-ray photoelectron spectroscopy, synchrotron radiation circular dichroism, X-ray footprinting and small-angle X-ray scattering. In the second section, the characterization of nucleic acid-based nanostructures, nucleic acid-functionalized nanomaterials and nucleic acid-lipid interactions using these spectroscopic techniques is summarized. Insights gained from these studies are described and future directions of this field are also discussed. PMID:25205057

Applications of synchrotron-based spectroscopic techniques in studying nucleic acids and nucleic acid-functionalized nanomaterials

DOE PAGES

Wu, Peiwen; Yu, Yang; McGhee, Claire E.; ...

2014-09-10

In this paper, we summarize recent progress in the application of synchrotron-based spectroscopic techniques for nucleic acid research that takes advantage of high-flux and high-brilliance electromagnetic radiation from synchrotron sources. The first section of the review focuses on the characterization of the structure and folding processes of nucleic acids using different types of synchrotron-based spectroscopies, such as X-ray absorption spectroscopy, X-ray emission spectroscopy, X-ray photoelectron spectroscopy, synchrotron radiation circular dichroism, X-ray footprinting and small-angle X-ray scattering. In the second section, the characterization of nucleic acid-based nanostructures, nucleic acid-functionalized nanomaterials and nucleic acid-lipid interactions using these spectroscopic techniques is summarized. Insightsmore » gained from these studies are described and future directions of this field are also discussed.« less

Dual time-resolved temperature-jump fluorescence and infrared spectroscopy for the study of fast protein dynamics.

PubMed

Davis, Caitlin M; Reddish, Michael J; Dyer, R Brian

2017-05-05

Time-resolved temperature-jump (T-jump) coupled with fluorescence and infrared (IR) spectroscopy is a powerful technique for monitoring protein dynamics. Although IR spectroscopy of the polypeptide amide I mode is more technically challenging, it offers complementary information because it directly probes changes in the protein backbone, whereas, fluorescence spectroscopy is sensitive to the environment of specific side chains. With the advent of widely tunable quantum cascade lasers (QCL) it is possible to efficiently probe multiple IR frequencies with high sensitivity and reproducibility. Here we describe a dual time-resolved T-jump fluorescence and IR spectrometer and its application to study protein folding dynamics. A Q-switched Ho:YAG laser provides the T-jump source for both time-resolved IR and fluorescence spectroscopy, which are probed by a QCL and Ti:Sapphire laser, respectively. The Ho:YAG laser simultaneously pumps the time-resolved IR and fluorescence spectrometers. The instrument has high sensitivity, with an IR absorbance detection limit of <0.2mOD and a fluorescence sensitivity of 2% of the overall fluorescence intensity. Using a computer controlled QCL to rapidly tune the IR frequency it is possible to create a T-jump induced difference spectrum from 50ns to 0.5ms. This study demonstrates the power of the dual time-resolved T-jump fluorescence and IR spectroscopy to resolve complex folding mechanisms by complementary IR absorbance and fluorescence measurements of protein dynamics. Copyright © 2017 Elsevier B.V. All rights reserved.

[Progress in Raman spectroscopic measurement of methane hydrate].

PubMed

Xu, Feng; Zhu, Li-hua; Wu, Qiang; Xu, Long-jun

2009-09-01

Complex thermodynamics and kinetics problems are involved in the methane hydrate formation and decomposition, and these problems are crucial to understanding the mechanisms of hydrate formation and hydrate decomposition. However, it was difficult to accurately obtain such information due to the difficulty of measurement since methane hydrate is only stable under low temperature and high pressure condition, and until recent years, methane hydrate has been measured in situ using Raman spectroscopy. Raman spectroscopy, a non-destructive and non-invasive technique, is used to study vibrational modes of molecules. Studies of methane hydrate using Raman spectroscopy have been developed over the last decade. The Raman spectra of CH4 in vapor phase and in hydrate phase are presented in this paper. The progress in the research on methane hydrate formation thermodynamics, formation kinetics, decomposition kinetics and decomposition mechanism based on Raman spectroscopic measurements in the laboratory and deep sea are reviewed. Formation thermodynamic studies, including in situ observation of formation condition of methane hydrate, analysis of structure, and determination of hydrate cage occupancy and hydration numbers by using Raman spectroscopy, are emphasized. In the aspect of formation kinetics, research on variation in hydrate cage amount and methane concentration in water during the growth of hydrate using Raman spectroscopy is also introduced. For the methane hydrate decomposition, the investigation associated with decomposition mechanism, the mutative law of cage occupancy ratio and the formulation of decomposition rate in porous media are described. The important aspects for future hydrate research based on Raman spectroscopy are discussed.

Dual time-resolved temperature-jump fluorescence and infrared spectroscopy for the study of fast protein dynamics

NASA Astrophysics Data System (ADS)

Davis, Caitlin M.; Reddish, Michael J.; Dyer, R. Brian

2017-05-01

Time-resolved temperature-jump (T-jump) coupled with fluorescence and infrared (IR) spectroscopy is a powerful technique for monitoring protein dynamics. Although IR spectroscopy of the polypeptide amide I mode is more technically challenging, it offers complementary information because it directly probes changes in the protein backbone, whereas, fluorescence spectroscopy is sensitive to the environment of specific side chains. With the advent of widely tunable quantum cascade lasers (QCL) it is possible to efficiently probe multiple IR frequencies with high sensitivity and reproducibility. Here we describe a dual time-resolved T-jump fluorescence and IR spectrometer and its application to study protein folding dynamics. A Q-switched Ho:YAG laser provides the T-jump source for both time-resolved IR and fluorescence spectroscopy, which are probed by a QCL and Ti:Sapphire laser, respectively. The Ho:YAG laser simultaneously pumps the time-resolved IR and fluorescence spectrometers. The instrument has high sensitivity, with an IR absorbance detection limit of < 0.2 mOD and a fluorescence sensitivity of 2% of the overall fluorescence intensity. Using a computer controlled QCL to rapidly tune the IR frequency it is possible to create a T-jump induced difference spectrum from 50 ns to 0.5 ms. This study demonstrates the power of the dual time-resolved T-jump fluorescence and IR spectroscopy to resolve complex folding mechanisms by complementary IR absorbance and fluorescence measurements of protein dynamics.

Automated analysis of urinary stone composition using Raman spectroscopy: pilot study for the development of a compact portable system for immediate postoperative ex vivo application.

PubMed

Miernik, Arkadiusz; Eilers, Yvan; Bolwien, Carsten; Lambrecht, Armin; Hauschke, Dieter; Rebentisch, Gunter; Lossin, Phillipp S; Hesse, Albrecht; Rassweiler, Jens J; Wetterauer, Ulrich; Schoenthaler, Martin

2013-11-01

We evaluate a compact portable system for immediate automated postoperative ex vivo analysis of urinary stone composition using Raman spectroscopy. Analysis of urinary stone composition provides essential information for the treatment and metaphylaxis of urolithiasis. Currently infrared spectroscopy and x-ray diffraction are used for urinary stone analysis. However, these methods may require complex sample preparation and costly laboratory equipment. In contrast, Raman spectrometers could be a simple and quick strategy for immediate stone analysis. Pure samples of 9 stone components and 159 human urinary calculi were analyzed by Raman spectroscopy using a microscope coupled system at 2 excitation wavelengths. Signal-to-noise ratio, peak positions and the distinctness of the acquired Raman spectra were analyzed and compared. Background fluorescence was removed mathematically. Corrected Raman spectra were used as a reference library for automated classification of native human urinary stones (50). The results were then compared to standard infrared spectroscopy. Signal-to-noise ratio was superior at an excitation wavelength of 532 nm. An automated, computer based classifier was capable of matching spectra from patient samples with those of pure stone components. Consecutive analysis of 50 human stones demonstrated 100% sensitivity and specificity compared to infrared spectroscopy (for components with more than 25% of total composition). Our pilot study indicates that Raman spectroscopy is a valid and reliable technique for determining urinary stone composition. Thus, we propose that the development of a compact and portable system based on Raman spectroscopy for immediate, postoperative stone analysis could represent an invaluable tool for the metaphylaxis of urolithiasis. Copyright © 2013 American Urological Association Education and Research, Inc. Published by Elsevier Inc. All rights reserved.

Spectroscopy of neutron rich nuclei using cold neutron induced fission of actinide targets at the ILL: The EXILL campaign

NASA Astrophysics Data System (ADS)

Blanc, A.; de France, G.; Drouet, F.; Jentschel, M.; Köster, U.; Mancuso, C.; Mutti, P.; Régis, J. M.; Simpson, G.; Soldner, T.; Ur, C. A.; Urban, W.; Vancraeyenest, A.

2013-12-01

One way to explore exotic nuclei is to study their structure by performing γ-ray spectroscopy. At the ILL, we exploit a high neutron flux reactor to induce the cold fission of actinide targets. In this process, fission products that cannot be accessed using standard spontaneous fission sources are produced with a yield allowing their detailed study using high resolution γ-ray spectroscopy. This is what was pursued at the ILL with the EXILL (for EXOGAM at the ILL) campaign. In the present work, the EXILL setup and performance will be presented.

Hydrothermal Synthesis and Biocompatibility Study of Highly Crystalline Carbonated Hydroxyapatite Nanorods

NASA Astrophysics Data System (ADS)

Xue, Caibao; Chen, Yingzhi; Huang, Yongzhuo; Zhu, Peizhi

2015-08-01

Highly crystalline carbonated hydroxyapatite (CHA) nanorods with different carbonate contents were synthesized by a novel hydrothermal method. The crystallinity and chemical structure of synthesized nanorods were studied by Fourier transform infrared spectroscopy (FTIR), X-ray photo-electronic spectroscopy (XPS), X-ray diffraction (XRD), Raman spectroscopy, and transmission electron microscopy (TEM). The biocompatibility of synthesized CHA nanorods was evaluated by cell viability and alkaline phosphatase (ALP) activity of MG-63 cell line. The biocompatibility evaluation results show that these CHA nanorods are biologically active apatites and potentially promising bone-substitute biomaterials for orthopedic application.

Ultrafast relaxation dynamics of nitric oxide synthase studied by visible broadband transient absorption spectroscopy

NASA Astrophysics Data System (ADS)

Hung, Chih-Chang; Yabushita, Atsushi; Kobayashi, Takayoshi; Chen, Pei-Feng; Liang, Keng S.

2017-09-01

Ultrafast dynamics of endothelial nitric oxide synthase (eNOS) oxygenase domain was studied by transient absorption spectroscopy pumping at Soret band. The broadband visible probe spectrum has visualized the relaxation dynamics from the Soret band to Q-band and charge transfer (CT) band. Supported by two-dimensional correlation spectroscopy, global fitting analysis has successfully concluded the relaxation dynamics from the Soret band to be (1) electronic transition to Q-band (0.16 ps), (2) ligand dissociation and CT (0.94 ps), (3) relaxation of the CT state (4.0 ps), and (4) ligand rebinding (59 ps).

[Application of near infrared reflectance spectroscopy to predict meat chemical compositions: a review].

PubMed

Tao, Lin-Li; Yang, Xiu-Juan; Deng, Jun-Ming; Zhang, Xi

2013-11-01

In contrast to conventional methods for the determination of meat chemical composition, near infrared reflectance spectroscopy enables rapid, simple, secure and simultaneous assessment of numerous meat properties. The present review focuses on the use of near infrared reflectance spectroscopy to predict meat chemical compositions. The potential of near infrared reflectance spectroscopy to predict crude protein, intramuscular fat, fatty acid, moisture, ash, myoglobin and collagen of beef, pork, chicken and lamb is reviewed. This paper discusses existing questions and reasons in the current research. According to the published results, although published results vary considerably, they suggest that near-infrared reflectance spectroscopy shows a great potential to replace the expensive and time-consuming chemical analysis of meat composition. In particular, under commercial conditions where simultaneous measurements of different chemical components are required, near infrared reflectance spectroscopy is expected to be the method of choice. The majority of studies selected feature-related wavelengths using principal components regression, developed the calibration model using partial least squares and modified partial least squares, and estimated the prediction accuracy by means of cross-validation using the same sample set previously used for the calibration. Meat fatty acid composition predicted by near-infrared spectroscopy and non-destructive prediction and visualization of chemical composition in meat using near-infrared hyperspectral imaging and multivariate regression are the hot studying field now. On the other hand, near infrared reflectance spectroscopy shows great difference for predicting different attributes of meat quality which are closely related to the selection of calibration sample set, preprocessing of near-infrared spectroscopy and modeling approach. Sample preparation also has an important effect on the reliability of NIR prediction; in particular, lack of homogeneity of the meat samples influenced the accuracy of estimation of chemical components. In general the predicting results of intramuscular fat, fatty acid and moisture are best, the predicting results of crude protein and myoglobin are better, while the predicting results of ash and collagen are less accurate.

A single-molecule force spectroscopy study of the interactions between lectins and carbohydrates on cancer and normal cells

NASA Astrophysics Data System (ADS)

Zhao, Weidong; Cai, Mingjun; Xu, Haijiao; Jiang, Junguang; Wang, Hongda

2013-03-01

The interaction forces between carbohydrates and lectins were investigated by single-molecule force spectroscopy on both cancer and normal cells. The binding kinetics was also studied, which shows that the carbohydrate-lectin complex on cancer cells is less stable than that on normal cells.The interaction forces between carbohydrates and lectins were investigated by single-molecule force spectroscopy on both cancer and normal cells. The binding kinetics was also studied, which shows that the carbohydrate-lectin complex on cancer cells is less stable than that on normal cells. Electronic supplementary information (ESI) available: Experimental details. See DOI: 10.1039/c3nr00553d

A simple polyol-free synthesis route to Gd2O3 nanoparticles for MRI applications: an experimental and theoretical study

NASA Astrophysics Data System (ADS)

Ahrén, Maria; Selegård, Linnéa; Söderlind, Fredrik; Linares, Mathieu; Kauczor, Joanna; Norman, Patrick; Käll, Per-Olov; Uvdal, Kajsa

2012-08-01

Chelated gadolinium ions, e.g., Gd-DTPA, are today used clinically as contrast agents for magnetic resonance imaging (MRI). An attractive alternative contrast agent is composed of gadolinium oxide nanoparticles as they have shown to provide enhanced contrast and, in principle, more straightforward molecular capping possibilities. In this study, we report a new, simple, and polyol-free way of synthesizing 4-5-nm-sized Gd2O3 nanoparticles at room temperature, with high stability and water solubility. The nanoparticles induce high-proton relaxivity compared to Gd-DTPA showing r 1 and r 2 values almost as high as those for free Gd3+ ions in water. The Gd2O3 nanoparticles are capped with acetate and carbonate groups, as shown with infrared spectroscopy, near-edge X-ray absorption spectroscopy, X-ray photoelectron spectroscopy and combined thermogravimetric and mass spectroscopy analysis. Interpretation of infrared spectroscopy data is corroborated by extensive quantum chemical calculations. This nanomaterial is easily prepared and has promising properties to function as a core in a future contrast agent for MRI.

Near-infrared spectroscopy can reveal increases in brain activity related to animal-assisted therapy.

PubMed

Morita, Yuka; Ebara, Fumio; Morita, Yoshimitsu; Horikawa, Etsuo

2017-08-01

[Purpose] Previous studies have indicated that animal-assisted therapy can promote recovery of psychological, social, and physiological function in mental disorders. This study was designed as a pilot evaluation of the use of near-infrared spectroscopy to objectively identify changes in brain activity that could mediate the effect of animal-assisted therapy. [Subjects and Methods] The participants were 20 healthy students (10 males and 10 females; age 19-21 years) of the Faculty of Agriculture, Saga University. Participants were shown a picture of a Tokara goat or shack (control) while prefrontal cortical oxygenated haemoglobin levels (representing neural activity) were measured by near-infrared spectroscopy. [Results] The prefrontal cortical near-infrared spectroscopy signal was significantly higher during viewing of the animal picture than during a rest condition or during viewing of the control picture. [Conclusion] Our results suggest that near-infrared spectroscopy can be used to objectively identify brain activity changes during human mentation regarding animals; furthermore, these preliminary results suggest the efficacy of animal-assisted therapy could be related to increased activation of the prefrontal cortex.

Raman spectroscopy and atomic force microscopy study of interfacial polytypism in GaP/Ge(111) heterostructures

NASA Astrophysics Data System (ADS)

Aggarwal, R.; Ingale, Alka A.; Dixit, V. K.

2018-01-01

Effects of lattice and polar/nonpolar mismatch between the GaP layer and Ge(111) substrate are investigated by spatially resolved Raman spectroscopy. The red shifted transverse optical (TO) and longitudinal optical (LO) phonons due to residual strain, along with asymmetry to TO phonon ∼358 cm-1 are observed in GaP/Ge(111). The peak intensity variation of mode ∼358 cm-1 with respect to TO phonon across the crystallographic morphed surface of GaP micro structures is associated with the topographical variations using atomic force microscopy mapping and Raman spectroscopy performed on both in plane and cross-sectional surface. Co-existence of GaP allotropes, i.e. wurtzite phase near heterojunction interface and dominant zinc-blende phase near surface is established using the spatially resolved polarized Raman spectroscopy from the cross sectional surface of heterostructures. This consistently explains effect of surface morphology on Raman spectroscopy from GaP(111). The study shows the way to identify crystalline phases in other advanced semiconductor heterostructures without any specific sample preparation.

Communication: Two-dimensional gas-phase coherent anti-Stokes Raman spectroscopy (2D-CARS): Simultaneous planar imaging and multiplex spectroscopy in a single laser shot

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

Bohlin, Alexis; Kliewer, Christopher J.

2013-01-01

Coherent anti-Stokes Raman spectroscopy (CARS) has been widely used as a powerful tool for chemical sensing, molecular dynamics measurements, and rovibrational spectroscopy since its development over 30 years ago, finding use in fields of study as diverse as combustion diagnostics, cell biology, plasma physics, and the standoff detection of explosives. The capability for acquiring resolved CARS spectra in multiple spatial dimensions within a single laser shot has been a long-standing goal for the study of dynamical processes, but has proven elusive because of both phase-matching and detection considerations. Here, by combining new phase matching and detection schemes with the highmore » efficiency of femtosecond excitation of Raman coherences, we introduce a technique for single-shot two-dimensional (2D) spatial measurements of gas phase CARS spectra. We demonstrate a spectrometer enabling both 2D plane imaging and spectroscopy simultaneously, and present the instantaneous measurement of 15, 000 spatially correlated rotational CARS spectra in N 2 and air over a 2D field of 40 mm 2.« less

Solution NMR Spectroscopy in Target-Based Drug Discovery.

PubMed

Li, Yan; Kang, Congbao

2017-08-23

Solution NMR spectroscopy is a powerful tool to study protein structures and dynamics under physiological conditions. This technique is particularly useful in target-based drug discovery projects as it provides protein-ligand binding information in solution. Accumulated studies have shown that NMR will play more and more important roles in multiple steps of the drug discovery process. In a fragment-based drug discovery process, ligand-observed and protein-observed NMR spectroscopy can be applied to screen fragments with low binding affinities. The screened fragments can be further optimized into drug-like molecules. In combination with other biophysical techniques, NMR will guide structure-based drug discovery. In this review, we describe the possible roles of NMR spectroscopy in drug discovery. We also illustrate the challenges encountered in the drug discovery process. We include several examples demonstrating the roles of NMR in target-based drug discoveries such as hit identification, ranking ligand binding affinities, and mapping the ligand binding site. We also speculate the possible roles of NMR in target engagement based on recent processes in in-cell NMR spectroscopy.

A Project-Based Biochemistry Laboratory Promoting the Understanding and Uses of Fluorescence Spectroscopy in the Study of Biomolecular Structures and Interactions

ERIC Educational Resources Information Center

Briese, Nicholas; Jakubowsk, Henry V.

2007-01-01

A laboratory project for a first semester biochemistry course is described, which integrates the traditional classroom study of the structure and function of biomolecules with the laboratory study of these molecules using fluorescence spectroscopy. Students are assigned a specific question addressing the stability/function of lipids, proteins, or…

ATR-FTIR spectroscopy reveals polycyclic aromatic hydrocarbon contamination despite relatively pristine site characteristics: Results of a field study in the Niger Delta.

PubMed

Obinaju, Blessing E; Martin, Francis L

2016-01-01

Fourier-transform infrared (FTIR) spectroscopy is an emerging technique to detect biochemical alterations in biological tissues, particularly changes due to sub-lethal exposures to environmental contaminants. We have previously shown the potential of attenuated total reflection FTIR (ATR-FTIR) spectroscopy to detect real-time exposure to contaminants in sentinel organisms as well as the potential to relate spectral alterations to the presence of specific environmental agents. In this study based in the Niger Delta (Nigeria), changes occurring in fish tissues as a result of polycyclic aromatic hydrocarbon (PAH) exposure at contaminated sites are compared to the infrared (IR) spectra of the tissues obtained from a relatively pristine site. Multivariate analysis revealed that PAH contamination could be occurring at the pristine site, based on the IR spectra and significant (P<0.0001) differences between sites. The study provides evidence of the IR spectroscopy techniques' sensitivity and supports their potential application in environmental biomonitoring. Copyright © 2016 Elsevier Ltd. All rights reserved.

Super-resolved FT-IR spectroscopy: Strategies, challenges, and opportunities for membrane biophysics.

PubMed

Li, Jessica J; Yip, Christopher M

2013-10-01

Direct correlation of molecular conformation with local structure is critical to studies of protein- and peptide-membrane interactions, particularly in the context of membrane-facilitated aggregation, and disruption or disordering. Infrared spectroscopy has long been a mainstay for determining molecular conformation, following folding dynamics, and characterizing reactions. While tremendous advances have been made in improving the spectral and temporal resolution of infrared spectroscopy, it has only been with the introduction of scanned-probe techniques that exploit the raster-scanning tip as either a source, scattering tool, or measurement probe that researchers have been able to obtain sub-diffraction limit IR spectra. This review will examine the history of correlated scanned-probe IR spectroscopies, from their inception to their use in studies of molecular aggregates, membrane domains, and cellular structures. The challenges and opportunities that these platforms present for examining dynamic phenomena will be discussed. This article is part of a Special Issue entitled: FTIR in membrane proteins and peptide studies. Copyright © 2013 Elsevier B.V. All rights reserved.

Microwave spectroscopy of biomolecular building blocks.

PubMed

Alonso, José L; López, Juan C

2015-01-01

Microwave spectroscopy, considered as the most definitive gas phase structural probe, is able to distinguish between different conformational structures of a molecule, because they have unique spectroscopic constants and give rise to distinct individual rotational spectra.Previously, application of this technique was limited to molecular specimens possessing appreciable vapor pressures, thus discarding the possibility of studying many other molecules of biological importance, in particular those with high melting points, which had a tendency to undergo thermal reactions, and ultimately degradation, upon heating.Nowadays, the combination of laser ablation with Fourier transform microwave spectroscopy techniques, in supersonic jets, has enabled the gas-phase study of such systems. In this chapter, these techniques, including broadband spectroscopy, as well as results of their application into the study of the conformational panorama and structure of biomolecular building blocks, such as amino acids, nucleic bases, and monosaccharides, are briefly discussed, and with them, the tools for conformational assignation - rotational constants, nuclear quadrupole coupling interaction, and dipole moment.

Structural, XPS and magnetic studies of pulsed laser deposited Fe doped Eu{sub 2}O{sub 3} thin film

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

Kumar, Sandeep; Prakash, Ram, E-mail: rpgiuc@gmail.com; Choudhary, R.J.

2015-10-15

Highlights: • Growth of Fe doped Eu{sub 2}O{sub 3} thin films by PLD. • XRD and Raman’s spectroscopy used for structure confirmation. • The electronic states of Eu and Fe are confirmed by XPS. • Magnetic properties reveals room temperature magnetic ordering in deposited film. - Abstract: Fe (4 at.%) doped europium (III) oxide thin film was deposited on silicon (1 0 0) substrate by pulsed laser deposition technique. Structural, spectral and magnetic properties were studied by X-ray diffraction (XRD), Raman spectroscopy, X-ray photoelectron spectroscopy (XPS) and magnetization measurements. XRD and Raman spectroscopy reveal that the grown film is singlemore » phased and belongs to the cubic structure of Eu{sub 2}O{sub 3}. XPS study of the Eu{sub 1.92}Fe{sub 0.08}O{sub 3} film shows that Fe exists in Fe{sup 3+} ionic state in the film. The film exhibits magnetic ordering at room temperature.« less

Calculation and Study of Graphene Conductivity Based on Terahertz Spectroscopy

NASA Astrophysics Data System (ADS)

Feng, Xiaodong; Hu, Min; Zhou, Jun; Liu, Shenggang

2017-07-01

Based on terahertz time-domain spectroscopy system and two-dimensional scanning control system, terahertz transmission and reflection intensity mapping images on a graphene film are obtained, respectively. Then, graphene conductivity mapping images in the frequency range 0.5 to 2.5 THz are acquired according to the calculation formula. The conductivity of graphene at some typical regions is fitted by Drude-Smith formula to quantitatively compare the transmission and reflection measurements. The results show that terahertz reflection spectroscopy has a higher signal-to-noise ratio with less interference of impurities on the back of substrates. The effect of a red laser excitation on the graphene conductivity by terahertz time-domain transmission spectroscopy is also studied. The results show that the graphene conductivity in the excitation region is enhanced while that in the adjacent area is weakened which indicates carriers transport in graphene under laser excitation. This paper can make great contribution to the study on graphene electrical and optical properties in the terahertz regime and help design graphene terahertz devices.

VNIR spectral features observed by the Mars Exploration Rover Opportunity in hematite-bearing materials at Meridiani Planum

NASA Astrophysics Data System (ADS)

Farrand, W. H.; Bell, J. F.; Morris, R. V.; Joliff, B. L.; Squyres, S. W.; Souza, P. A.

2004-12-01

The Mars Exploration Rover Opportunity was sent to Meridiani Planum based largely on MGS TES spectroscopic evidence of a large surface exposure of coarse grained gray hematite. The presence of hematite at Meridiani Planum has been confirmed through thermal infrared spectroscopy by the rover's Mini-TES instrument and by in-situ measurements by its Moessbauer (MB) spectrometer. Several types of hematite, as expressed by differences in MB spectral parameters, have been associated with various rocks and soils examined in Eagle crater and on the surrounding plains. The host materials include the small spherules (informally known as "blueberries") littering the floor of Eagle crater and the plains of Meridiani, the outcrop rock itself, specific types of soils, and two measurements on unique rocks in the Shoemaker's Patio area of Eagle crater. At the visible to near infrared (VNIR) wavelengths covered by the rover's multispectral Panoramic camera (Pancam), gray hematite is spectrally neutral. However, multispectral observations by Pancam of some of these hematite-bearing materials show discernable spectral features. Specifically, portions of the outcrop visible in the walls of Eagle crater display a strong 535 nm absorption feature. This feature resembles a similar feature in laboratory spectra of red hematite, but the characteristic 860 nm absorption of red hematite is either absent or is instead replaced by a longer wavelength absorption centered on Pancam's 900 nm channel. The blueberries display a deep and broad absorption centered on 900 nm and as well as an increase in reflectance in the 1009 nm band. The shape of the absorption feature in the blueberries is consistent with that seen in red hematite, but again the band minimum is displaced to a longer wavelength than would be expected for red hematite. The blueberries also lack the prominent absorption at the shortest wavelengths that would be expected of red hematite. The unique hematite-bearing (or coated) rocks at Shoemaker's Patio lack the very strong 535 nm band depth of other portions of the outcrop but still have a stronger 535 nm feature than most of the outcrop. Interestingly, VNIR spectra more consistent with that expected for red hematite have been found in cuttings released by grinding into outcrop by the rover's Rock Abrasion Tool. The cause of the observed spectral features in the portions of outcrop with strong 535 nm band depths and of the reddish rocks in the Shoemaker's Patio area is believed to be attributable either to red hematite mixed with other Fe3+ - bearing phases (such as jarosite and/or schwertmannite) or, at the longer wavelengths, with Fe2+ - bearing phases (such as pyroxenes). Determination of the nature of these iron-bearing materials will further elucidate the geologic, aqueous and diagenetic history of the rocks at Meridiani Planum.

Dielectric spectroscopy in agrophysics

NASA Astrophysics Data System (ADS)

Skierucha, W.; Wilczek, A.; Szypłowska, A.

2012-04-01

The paper presents scientific foundation and some examples of agrophysical applications of dielectric spectroscopy techniques. The aim of agrophysics is to apply physical methods and techniques for studies of materials and processes which occur in agriculture. Dielectric spectroscopy, which describes the dielectric properties of a sample as a function of frequency, may be successfully used for examinations of properties of various materials. Possible test materials may include agrophysical objects such as soil, fruit, vegetables, intermediate and final products of the food industry, grain, oils, etc. Dielectric spectroscopy techniques enable non-destructive and non-invasive measurements of the agricultural materials, therefore providing tools for rapid evaluation of their water content and quality. There is a limited number of research in the field of dielectric spectroscopy of agricultural objects, which is caused by the relatively high cost of the respective measurement equipment. With the fast development of modern technology, especially in high frequency applications, dielectric spectroscopy has great potential of expansion in agrophysics, both in cognitive and utilitarian aspects.

The C(2)1pi(u) state of Na2 molecule studied by polarization labelling spectroscopy method.

PubMed

Jastrzebski, W; Kowalczyk, P; Camacho, J J; Pardo, A; Poyato, J M

2001-08-01

The C1pi(u) <-- X1sigma(g)+ system of Na2 is studied by the polarization labelling spectroscopy technique. Accurate molecular constants are derived for the observed levels nu = 0-12, J = 12-100 in the C1pi(u) state.

Glutamatergic Effects of Divalproex in Adolescents with Mania: A Proton Magnetic Resonance Spectroscopy Study

ERIC Educational Resources Information Center

Strawn, Jeffrey R.; Patel, Nick C.; Chu, Wen-Jang; Lee, Jing-Huei; Adler, Caleb M.; Kim, Mi Jung; Bryan, Holly S.; Alfieri, David C.; Welge, Jeffrey A.; Blom, Thomas J.; Nandagopal, Jayasree J.; Strakowski, Stephen M.; DelBello, Melissa P.

2012-01-01

Objectives: This study used proton magnetic resonance spectroscopy ([superscript 1]H MRS) to evaluate the in vivo effects of extended-release divalproex sodium on the glutamatergic system in adolescents with bipolar disorder, and to identify baseline neurochemical predictors of clinical remission. Method: Adolescents with bipolar disorder who were…

Raman Micro-Spectroscopy as a Tool to Characterise Cobalt — Manganese Layered Oxides (Heterogenite-Asbolane-Lithipophorite), Study on Crystalline and Amorphous Phases from the DRC (Democratic Republic of the Congo)

NASA Astrophysics Data System (ADS)

Burlet, C.; Vanbrabant, Y.; Decree, S.

2014-06-01

This study defines Raman reference spectra for heterogenite, asbolane and lithiophorite. Those three phases are hardly differenciable by XRD. Raman spectroscopy allows comparison of their natural chemical variability with their spectroscopic signatures.

Raman spectroscopy of bio fluids: an exploratory study for oral cancer detection

NASA Astrophysics Data System (ADS)

Brindha, Elumalai; Rajasekaran, Ramu; Aruna, Prakasarao; Koteeswaran, Dornadula; Ganesan, Singaravelu

2016-03-01

ion for various disease diagnosis including cancers. Oral cancer is one of the most common cancers in India and it accounts for one third of the global oral cancer burden. Raman spectroscopy of tissues has gained much attention in the diagnostic oncology, as it provides unique spectral signature corresponding to metabolic alterations under different pathological conditions and micro-environment. Based on these, several studies have been reported on the use of Raman spectroscopy in the discrimination of diseased conditions from their normal counterpart at cellular and tissue level but only limited studies were available on bio-fluids. Recently, optical characterization of bio-fluids has also geared up for biomarker identification in the disease diagnosis. In this context, an attempt was made to study the metabolic variations in the blood, urine and saliva of oral cancer patients and normal subjects using Raman spectroscopy. Principal Component based Linear Discriminant Analysis (PC-LDA) followed by Leave-One-Out Cross-Validation (LOOCV) was employed to find the statistical significance of the present technique in discriminating the malignant conditions from normal subjects.

Using Velocity Anisotropy to Analyze Magnetohydrodynamic Turbulence in Giant Molecular Clouds

NASA Astrophysics Data System (ADS)

Madrid, Alecio; Hernandez, Audra

2018-01-01

Structure function (SF) analysis is a strong tool for gaging the Alfvénic properties of magnetohydrodynamic (MHD) simulations, yet there is a lack of literature rigorously investigating limitations in the context of radio spectroscopy. This study takes an in depth approach to studying the limitations of SF analysis for analyzing MHD turbulence in giant molecular cloud (GMC) spectroscopy data. MHD turbulence plays a critical role in the structure and evolution of GMCs as well as in the formation of sub-structures known to spawn stellar progenitors. Existing methods of detection are neither economical nor robust (e.g. dust polarization), and nowhere is this more clear than in the theoretical-observational divide in current literature. A significant limitation of GMC spectroscopy results from the large variation in methods used for extracting GMCs from survey data. Thus, a robust method for studying MHD turbulence must correctly gauge physical properties regardless of the data extraction method used. While SF analysis has demonstrated strong potential across a range of simulated conditions, this study finds significant concern regarding its feasibility as a robust tool in GMC spectroscopy.

An Improved Weighted Partial Least Squares Method Coupled with Near Infrared Spectroscopy for Rapid Determination of Multiple Components and Anti-Oxidant Activity of Pu-Erh Tea.

PubMed

Liu, Ze; Xie, Hua-Lin; Chen, Lin; Huang, Jian-Hua

2018-05-02

Background: Pu-erh tea is a unique microbially fermented tea, which distinctive chemical constituents and activities are worthy of systematic study. Near infrared spectroscopy (NIR) coupled with suitable chemometrics approaches can rapidly and accurately quantitatively analyze multiple compounds in samples. Methods: In this study, an improved weighted partial least squares (PLS) algorithm combined with near infrared spectroscopy (NIR) was used to construct a fast calibration model for determining four main components, i.e., tea polyphenols, tea polysaccharide, total flavonoids, theanine content, and further determine the total antioxidant capacity of pu-erh tea. Results: The final correlation coefficients R square for tea polyphenols, tea polysaccharide, total flavonoids content, theanine content, and total antioxidant capacity were 0.8288, 0.8403, 0.8415, 0.8537 and 0.8682, respectively. Conclusions : The current study provided a comprehensive study of four main ingredients and activity of pu-erh tea, and demonstrated that NIR spectroscopy technology coupled with multivariate calibration analysis could be successfully applied to pu-erh tea quality assessment.

The extraction of gold nanoparticles from oat and wheat biomasses using sodium citrate and cetyltrimethylammonium bromide, studied by x-ray absorption spectroscopy, high-resolution transmission electron microscopy, and UV-visible spectroscopy.

PubMed

Armendariz, Veronica; Parsons, Jason G; Lopez, Martha L; Peralta-Videa, Jose R; Jose-Yacaman, Miguel; Gardea-Torresdey, Jorge L

2009-03-11

Gold (Au) nanoparticles can be produced through the interaction of Au(III) ions with oat and wheat biomasses. This paper describes a procedure to recover gold nanoparticles from oat and wheat biomasses using cetyltrimethylammonium bromide or sodium citrate. Extracts were analyzed using UV-visible spectroscopy, high-resolution transmission electron microscopy (HRTEM), and x-ray absorption spectroscopy. The HRTEM data demonstrated that smaller nanoparticles are extracted first, followed by larger nanoparticles. In the fourth extraction, coating of chelating agents is visible on the extracted nanoparticles.

Laser spectroscopy applied to environmental, ecological, food safety, and biomedical research.

PubMed

Svanberg, Sune; Zhao, Guangyu; Zhang, Hao; Huang, Jing; Lian, Ming; Li, Tianqi; Zhu, Shiming; Li, Yiyun; Duan, Zheng; Lin, Huiying; Svanberg, Katarina

2016-03-21

Laser spectroscopy provides many possibilities for multi-disciplinary applications in environmental monitoring, in the ecological field, for food safety investigations, and in biomedicine. The paper gives several examples of the power of multi-disciplinary applications of laser spectroscopy as pursued in our research group. The studies utilize mostly similar and widely applicable spectroscopic approaches. Air pollution and vegetation monitoring by lidar techniques, as well as agricultural pest insect monitoring and classification by elastic scattering and fluorescence spectroscopy are described. Biomedical aspects include food safety applications and medical diagnostics of sinusitis and otitis, with strong connection to the abatement of antibiotics resistance development.

Enhanced visible and near-infrared capabilities of the JET mirror-linked divertor spectroscopy system

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

Lomanowski, B. A., E-mail: b.a.lomanowski@durham.ac.uk; Sharples, R. M.; Meigs, A. G.

2014-11-15

The mirror-linked divertor spectroscopy diagnostic on JET has been upgraded with a new visible and near-infrared grating and filtered spectroscopy system. New capabilities include extended near-infrared coverage up to 1875 nm, capturing the hydrogen Paschen series, as well as a 2 kHz frame rate filtered imaging camera system for fast measurements of impurity (Be II) and deuterium Dα, Dβ, Dγ line emission in the outer divertor. The expanded system provides unique capabilities for studying spatially resolved divertor plasma dynamics at near-ELM resolved timescales as well as a test bed for feasibility assessment of near-infrared spectroscopy.

Detection of Nitric Oxide by Electron Paramagnetic Resonance Spectroscopy

PubMed Central

Hogg, Neil

2010-01-01

Electron paramagnetic resonance (EPR) spectroscopy has been used in a number of ways to study nitric oxide chemistry and biology. As an intrinsically stable and relatively unreactive diatomic free radical, the challenges for detecting this species by EPR are somewhat different than those for transient radical species. This review gives a basic introduction to EPR spectroscopy and discusses its uses to assess and quantify nitric oxide formation in biological systems. PMID:20304044

Combination of UV-vis spectroscopy and chemometrics to understand protein-nanomaterial conjugate: a case study on human serum albumin and gold nanoparticles.

PubMed

Wang, Yong; Ni, Yongnian

2014-02-01

Study of the interactions between proteins and nanomaterials is of great importance for understanding of protein nanoconjugate. In this work, we choose human serum albumin (HSA) and citrate-capped gold nanoparticles (AuNPs) as a model of protein and nanomaterial, and combine UV-vis spectroscopy with multivariate curve resolution by an alternating least squares (MCR-ALS) algorithm to present a new and efficient method for comparatively comprehensive study of evolution of protein nanoconjugate. UV-vis spectroscopy coupled with MCR-ALS allows qualitative and quantitative extraction of the distribution diagrams, spectra and kinetic profiles of absorbing pure species (AuNPs and AuNPs-HSA conjugate are herein identified) and undetectable species (HSA) from spectral data. The response profiles recovered are converted into the desired thermodynamic, kinetic and structural parameters describing the protein nanoconjugate evolution. Analysis of these parameters for the system gives evidence that HSA molecules are very likely to be attached to AuNPs surface predominantly as a flat monolayer to form a stable AuNPs-HSA conjugate with a core-shell structure, and the binding process takes place mainly through electrostatic and hydrogen-bond interactions between the positively amino acid residues of HSA and the negatively carboxyl group of citrate on AuNPs surface. The results obtained are verified by transmission electron microscopy, zeta potential, circular dichroism spectroscopy and Fourier transform infrared spectroscopy, showing the potential of UV-vis spectroscopy for study of evolution of protein nanoconjugate. In parallel, concentration evolutions of pure species resolved by MCR-ALS are used to construct a sensitive spectroscopic biosensor for HSA with a linear range from 1.8 nM to 28.1 nM and a detection limit of 0.8 nM. © 2013 Published by Elsevier B.V.

Soft X-ray absorption spectroscopy and resonant inelastic X-ray scattering spectroscopy below 100 eV: probing first-row transition-metal M-edges in chemical complexes

PubMed Central

Wang, Hongxin; Young, Anthony T.; Guo, Jinghua; Cramer, Stephen P.; Friedrich, Stephan; Braun, Artur; Gu, Weiwei

2013-01-01

X-ray absorption and scattering spectroscopies involving the 3d transition-metal K- and L-edges have a long history in studying inorganic and bioinorganic molecules. However, there have been very few studies using the M-edges, which are below 100 eV. Synchrotron-based X-ray sources can have higher energy resolution at M-edges. M-edge X-ray absorption spectroscopy (XAS) and resonant inelastic X-ray scattering (RIXS) could therefore provide complementary information to K- and L-edge spectroscopies. In this study, M 2,3-edge XAS on several Co, Ni and Cu complexes are measured and their spectral information, such as chemical shifts and covalency effects, are analyzed and discussed. In addition, M 2,3-edge RIXS on NiO, NiF2 and two other covalent complexes have been performed and different d–d transition patterns have been observed. Although still preliminary, this work on 3d metal complexes demonstrates the potential to use M-edge XAS and RIXS on more complicated 3d metal complexes in the future. The potential for using high-sensitivity and high-resolution superconducting tunnel junction X-ray detectors below 100 eV is also illustrated and discussed. PMID:23765304

Soft X-ray absorption spectroscopy and resonant inelastic X-ray scattering spectroscopy below 100 eV: probing first-row transition-metal M-edges in chemical complexes.

PubMed

Wang, Hongxin; Young, Anthony T; Guo, Jinghua; Cramer, Stephen P; Friedrich, Stephan; Braun, Artur; Gu, Weiwei

2013-07-01

X-ray absorption and scattering spectroscopies involving the 3d transition-metal K- and L-edges have a long history in studying inorganic and bioinorganic molecules. However, there have been very few studies using the M-edges, which are below 100 eV. Synchrotron-based X-ray sources can have higher energy resolution at M-edges. M-edge X-ray absorption spectroscopy (XAS) and resonant inelastic X-ray scattering (RIXS) could therefore provide complementary information to K- and L-edge spectroscopies. In this study, M2,3-edge XAS on several Co, Ni and Cu complexes are measured and their spectral information, such as chemical shifts and covalency effects, are analyzed and discussed. In addition, M2,3-edge RIXS on NiO, NiF2 and two other covalent complexes have been performed and different d-d transition patterns have been observed. Although still preliminary, this work on 3d metal complexes demonstrates the potential to use M-edge XAS and RIXS on more complicated 3d metal complexes in the future. The potential for using high-sensitivity and high-resolution superconducting tunnel junction X-ray detectors below 100 eV is also illustrated and discussed.

Nanocrystalline SnO2 formation by oxygen ion implantation in tin thin films

NASA Astrophysics Data System (ADS)

Kondkar, Vidya; Rukade, Deepti; Kanjilal, Dinakar; Bhattacharyya, Varsha

2018-03-01

Metallic tin thin films of thickness 100 nm are deposited on fused silica substrates by thermal evaporation technique. These films are implanted with 45 keV oxygen ions at fluences ranging from 5 × 1015 to 5 × 1016 ions cm-2. The energy of the oxygen ions is calculated using SRIM in order to form embedded phases at the film-substrate interface. Post-implantation, films are annealed using a tube furnace for nanocrystalline tin oxide formation. These films are characterized using x-ray diffraction, Raman spectroscopy, UV-vis spectroscopy and photoluminescence spectroscopy. XRD and Raman spectroscopy studies reveal the formation of single rutile phase of SnO2. The size of the nanocrystallites formed decreases with an increase in the ion fluence. The nanocrystalline SnO2 formation is also confirmed by UV-vis and photoluminescence spectroscopy.

Detecting Kerogen as a Biosignature Using Colocated UV Time-Gated Raman and Fluorescence Spectroscopy.

PubMed

Shkolyar, Svetlana; Eshelman, Evan J; Farmer, Jack D; Hamilton, David; Daly, Michael G; Youngbull, Cody

2018-04-01

The Mars 2020 mission will analyze samples in situ and identify any that could have preserved biosignatures in ancient habitable environments for later return to Earth. Highest priority targeted samples include aqueously formed sedimentary lithologies. On Earth, such lithologies can contain fossil biosignatures as aromatic carbon (kerogen). In this study, we analyzed nonextracted kerogen in a diverse suite of natural, complex samples using colocated UV excitation (266 nm) time-gated (UV-TG) Raman and laser-induced fluorescence spectroscopies. We interrogated kerogen and its host matrix in samples to (1) explore the capabilities of UV-TG Raman and fluorescence spectroscopies for detecting kerogen in high-priority targets in the search for possible biosignatures on Mars; (2) assess the effectiveness of time gating and UV laser wavelength in reducing fluorescence in Raman spectra; and (3) identify sample-specific issues that could challenge rover-based identifications of kerogen using UV-TG Raman spectroscopy. We found that ungated UV Raman spectroscopy is suited to identify diagnostic kerogen Raman bands without interfering fluorescence and that UV fluorescence spectroscopy is suited to identify kerogen. These results highlight the value of combining colocated Raman and fluorescence spectroscopies, similar to those obtainable by SHERLOC on Mars 2020, to strengthen the confidence of kerogen detection as a potential biosignature in complex natural samples. Key Words: Raman spectroscopy-Laser-induced fluorescence spectroscopy-Mars Sample Return-Mars 2020 mission-Kerogen-Biosignatures. Astrobiology 18, 431-453.

Soil chemical insights provided through vibrational spectroscopy

USDA-ARS?s Scientific Manuscript database

Vibrational spectroscopy techniques provide a powerful approach to study environmental materials and processes. These multifunctional analysis tools can be used to probe molecular vibrations of solid, liquid, and gaseous samples for characterizing materials, elucidating reaction mechanisms, and exam...

Spectroscopic and microscopic characterization of silver nanoparticles synthesized using Justicia adhatoda flower

NASA Astrophysics Data System (ADS)

Singh, Tej; Shekhawat, Dharmender Singh; Jyoti, Kumari

2018-05-01

The synthesis of silver nanoparticles (SNPs) by chemical and physical methods produce harmful products which may cause various environmental problems, thus, there is an increasing demand to use ecofriendly methods. Therefore, biosynthesis of SNPs using Justicia adhatoda flower extract is demonstrated in the present study. The biosynthesized SNPs were characterized by UV-visible spectroscopy, Fourier transform-infrared spectroscopy (FTIR), transmission electron microscopy (TEM), selected area electron diffraction (SAED) and atomic force microscopy (AFM) analysis. The result of UV-visible spectroscopy peaked at 417 nm corresponding to the plasmon absorbance of SNPs. The TEM and SAED result reveals the crystalline nature of SNPs. FTIR spectroscopy used to identify the possible biomolecules responsible for the conversion of silver ions to SNPs. The study concluded that Justicia adhatoda flower extract act as an excellent reducing agent and the green synthesized SNPs are safer to the environment.

Photoacoustic Spectroscopy Analysis of Traditional Chinese Medicine

NASA Astrophysics Data System (ADS)

Chen, Lu; Zhao, Bin-xing; Xiao, Hong-tao; Tong, Rong-sheng; Gao, Chun-ming

2013-09-01

Chinese medicine is a historic cultural legacy of China. It has made a significant contribution to medicine and healthcare for generations. The development of Chinese herbal medicine analysis is emphasized by the Chinese pharmaceutical industry. This study has carried out the experimental analysis of ten kinds of Chinese herbal powder including Fritillaria powder, etc., based on the photoacoustic spectroscopy (PAS) method. First, a photoacoustic spectroscopy system was designed and constructed, especially a highly sensitive solid photoacoustic cell was established. Second, the experimental setup was verified through the characteristic emission spectrum of the light source, obtained by using carbon as a sample in the photoacoustic cell. Finally, as the photoacoustic spectroscopy analysis of Fritillaria, etc., was completed, the specificity of the Chinese herb medicine analysis was verified. This study shows that the PAS can provide a valid, highly sensitive analytical method for the specificity of Chinese herb medicine without preparing and damaging samples.

Quantitative Detection of Pharmaceuticals Using a Combination of Paper Microfluidics and Wavelength Modulated Raman Spectroscopy

PubMed Central

Craig, Derek; Mazilu, Michael; Dholakia, Kishan

2015-01-01

Raman spectroscopy has proven to be an indispensable technique for the identification of various types of analytes due to the fingerprint vibration spectrum obtained. Paper microfluidics has also emerged as a low cost, easy to fabricate and portable approach for point of care testing. However, due to inherent background fluorescence, combining Raman spectroscopy with paper microfluidics is to date an unmet challenge in the absence of using surface enhanced mechanisms. We describe the first use of wavelength modulated Raman spectroscopy (WMRS) for analysis on a paper microfluidics platform. This study demonstrates the ability to suppress the background fluorescence of the paper using WMRS and the subsequent implementation of this technique for pharmaceutical analysis. The results of this study demonstrate that it is possible to discriminate between both paracetamol and ibuprofen, whilst, also being able to detect the presence of each analyte quantitatively at nanomolar concentrations. PMID:25938464

Combined autofluorescence and Raman spectroscopy method for skin tumor detection in visible and near infrared regions

NASA Astrophysics Data System (ADS)

Zakharov, V. P.; Bratchenko, I. A.; Artemyev, D. N.; Myakinin, O. O.; Khristoforova, Y. A.; Kozlov, S. V.; Moryatov, A. A.

2015-07-01

The combined application of Raman and autofluorescence spectroscopy in visible and near infrared regions for the analysis of malignant neoplasms of human skin was demonstrated. Ex vivo experiments were performed for 130 skin tissue samples: 28 malignant melanomas, 19 basal cell carcinomas, 15 benign tumors, 9 nevi and 59 normal tissues. Proposed method of Raman spectra analysis allows for malignant melanoma differentiating from other skin tissues with accuracy of 84% (sensitivity of 97%, specificity of 72%). Autofluorescence analysis in near infrared and visible regions helped us to increase the diagnostic accuracy by 5-10%. Registration of autofluorescence in near infrared region is realized in one optical unit with Raman spectroscopy. Thus, the proposed method of combined skin tissues study makes possible simultaneous large skin area study with autofluorescence spectra analysis and precise neoplasm type determination with Raman spectroscopy.

Methylmercury chloride damage to the adult rat hippocampus cannot be detected by proton magnetic resonance spectroscopy

PubMed Central

Lu, Zhiyan; Wu, Jinwei; Cheng, Guangyuan; Tian, Jianying; Lu, Zeqing; Bi, Yongyi

2014-01-01

Previous studies have found that methylmercury can damage hippocampal neurons and accordingly cause cognitive dysfunction. However, a non-invasive, safe and accurate detection method for detecting hippocampal injury has yet to be developed. This study aimed to detect methylmercury-induced damage on hippocampal tissue using proton magnetic resonance spectroscopy. Rats were given a subcutaneous injection of 4 and 2 mg/kg methylmercury into the neck for 50 consecutive days. Water maze and pathology tests confirmed that cognitive function had been impaired and that the ultrastructure of hippocampal tissue was altered after injection. The results of proton magnetic resonance spectroscopy revealed that the nitrogen-acetyl aspartate/creatine, choline complex/creatine and myoinositol/creatine ratio in rat hippocampal tissue were unchanged. Therefore, proton magnetic resonance spectroscopy can not be used to determine structural damage in the adult rat hippocampus caused by methylmercury chloride. PMID:25368649

Hydrogen bonding-assisted interaction between amitriptyline hydrochloride and hemoglobin: spectroscopic and molecular dynamics studies.

PubMed

Maurya, Neha; Maurya, Jitendra Kumar; Kumari, Meena; Khan, Abbul Bashar; Dohare, Ravins; Patel, Rajan

2017-05-01

Herein, we have explored the interaction between amitriptyline hydrochloride (AMT) and hemoglobin (Hb), using steady-state and time-resolved fluorescence spectroscopy, UV-visible spectroscopy, and circular dichroism spectroscopy, in combination with molecular docking and molecular dynamic (MD) simulation methods. The steady-state fluorescence reveals the static quenching mechanism in the interaction system, which was further confirmed by UV-visible and time-resolved fluorescence spectroscopy. The binding constant, number of binding sites, and thermodynamic parameters viz. ΔG, ΔH, ΔS are also considered; result confirms that the binding of the AMT with Hb is a spontaneous process, involving hydrogen bonding and van der Waals interactions with a single binding site, as also confirmed by molecular docking study. Synchronous fluorescence, CD data, and MD simulation results contribute toward understanding the effect of AMT on Hb to interpret the conformational change in Hb upon binding in aqueous solution.

Evaluation of Raman spectroscopy in comparison to commonly performed dengue diagnostic tests

NASA Astrophysics Data System (ADS)

Khan, Saranjam; Ullah, Rahat; Khurram, Muhammad; Ali, Hina; Mahmood, Arshad; Khan, Ajmal; Ahmed, Mushtaq

2016-09-01

This study demonstrates the evaluation of Raman spectroscopy as a rapid diagnostic test in comparison to commonly performed tests for an accurate detection of dengue fever in human blood sera. Blood samples of 104 suspected dengue patients collected from Holy Family Hospital, Rawalpindi, Pakistan, have been used in this study. Out of 104 samples, 52 (50%) were positive based on immunoglobulin G (IgG), whereas 54 (52%) were positive based on immunoglobulin M (IgM) antibody tests. For the determination of the diagnostic capabilities of Raman spectroscopy, accuracy, sensitivity, specificity and false positive rate have been calculated in comparison to normally performed IgM and IgG captured enzyme-linked immunosorbent assay tests. Accuracy, precision, specificity, and sensitivity for Raman spectroscopy in comparison to IgM were found to be 66%, 70%, 72%, and 61%, whereas based on IgG they were 47%, 46%, 52%, and 43%, respectively.

[Study on physical deviation factors on laser induced breakdown spectroscopy measurement].

PubMed

Wan, Xiong; Wang, Peng; Wang, Qi; Zhang, Qing; Zhang, Zhi-Min; Zhang, Hua-Ming

2013-10-01

In order to eliminate the deviation between the measured LIBS spectral line and the standard LIBS spectral line, and improve the accuracy of elements measurement, a research of physical deviation factors in laser induced breakdown spectroscopy technology was proposed. Under the same experimental conditions, the relationship of ablated hole effect and spectral wavelength was tested, the Stark broadening data of Mg plasma laser induced breakdown spectroscopy with sampling time-delay from 1.00 to 3.00 micros was also studied, thus the physical deviation influences such as ablated hole effect and Stark broadening could be obtained while collecting the spectrum. The results and the method of the research and analysis can also be applied to other laser induced breakdown spectroscopy experiment system, which is of great significance to improve the accuracy of LIBS elements measuring and is also important to the research on the optimum sampling time-delay of LIBS.

Shifts due to quantum-mechanical interference from distant neighboring resonances for saturated fluorescence spectroscopy

NASA Astrophysics Data System (ADS)

Marsman, Alain; Horbatsch, Marko; Hessels, Eric A.

2014-05-01

Quantum-mechanical interference with distant neighboring resonances is found to cause shifts for precision saturated fluorescence spectroscopy of the atomic helium 23 S -to- 23 P transitions. The shifts are significant (larger than the experimental uncertainties for measurements of the intervals) despite the fact that the neighboring resonances are separated from the measured resonances by 1400 and 20 000 natural widths. The shifts depend strongly on experimental parameters such as the angular position of the fluorescence detector and the intensity and size of laser beams. These shifts must be considered for the ongoing program of determining the fine-structure constant from the helium 23 P fine structure. The work represents the first study of such interference shifts for saturated fluorescence spectroscopy and follows up on our previous study of similar shifts for laser spectroscopy. This work is supported by NSERC, CRC, ORF, CFI, NIST and SHARCNET.

Geographical traceability of Marsdenia tenacissima by Fourier transform infrared spectroscopy and chemometrics

NASA Astrophysics Data System (ADS)

Li, Chao; Yang, Sheng-Chao; Guo, Qiao-Sheng; Zheng, Kai-Yan; Wang, Ping-Li; Meng, Zhen-Gui

2016-01-01

A combination of Fourier transform infrared spectroscopy with chemometrics tools provided an approach for studying Marsdenia tenacissima according to its geographical origin. A total of 128 M. tenacissima samples from four provinces in China were analyzed with FTIR spectroscopy. Six pattern recognition methods were used to construct the discrimination models: support vector machine-genetic algorithms, support vector machine-particle swarm optimization, K-nearest neighbors, radial basis function neural network, random forest and support vector machine-grid search. Experimental results showed that K-nearest neighbors was superior to other mathematical algorithms after data were preprocessed with wavelet de-noising, with a discrimination rate of 100% in both the training and prediction sets. This study demonstrated that FTIR spectroscopy coupled with K-nearest neighbors could be successfully applied to determine the geographical origins of M. tenacissima samples, thereby providing reliable authentication in a rapid, cheap and noninvasive way.

Quantifying Young's moduli of protein fibrils and particles with bimodal force spectroscopy.

PubMed

Gilbert, Jay; Charnley, Mirren; Cheng, Christopher; Reynolds, Nicholas P; Jones, Owen G

2017-10-19

Force spectroscopy is a means of obtaining mechanical information of individual nanometer-scale structures in composite materials, such as protein assemblies for use in consumer films or gels. As a recently developed force spectroscopy technique, bimodal force spectroscopy relates frequency shifts in cantilevers simultaneously excited at multiple frequencies to the elastic properties of the contacted material, yet its utility for quantitative characterization of biopolymer assemblies has been limited. In this study, a linear correlation between experimental frequency shift and Young's modulus of polymer films was used to calibrate bimodal force spectroscopy and quantify Young's modulus of two protein nanostructures: β-lactoglobulin fibrils and zein nanoparticles. Cross-sectional Young's modulus of protein fibrils was determined to be 1.6 GPa while the modulus of zein nanoparticles was determined as 854 MPa. Parallel measurement of β-lactoglobulin fibril by a competing pulsed-force technique found a higher cross-sectional Young's modulus, highlighting the importance of comparative calibration against known standards in both pulsed and bimodal force spectroscopies. These findings demonstrate a successful procedure for measuring mechanical properties of individual protein assemblies with potential use in biological or packaging applications using bimodal force spectroscopy.

The estimation of recovery time of calf muscle oxygen saturation during exercise by using functional near infrared spectroscopy

NASA Astrophysics Data System (ADS)

Ansari, M. A.; Shojaeifar, M.; Mohajerani, E.

2014-08-01

Several methods of near infrared spectroscopy such as functional near infrared spectroscopy (fNIRS) and pulse oximetry have been applied for monitoring of tissue oxygenation or arterial oxygen saturation. Some vascular diseases can be diagnosed through measurements of tissue oxygenation. In this study, the temporal variation of oxygenation of calf muscle after exercise is studied by fNIRS. First, the accuracy of a low-cost fNIRS system is studied by measuring the oxygenation of a lipid phantom. Moreover, in-vivo study is performed to evaluate the precision of this system. Then, the variation of muscle oxygenation of four persons during exercise is measured and also the recovery time after walking/running is measured by this fNIRS system.

Scanning tunnelling microscope for boron surface studies

NASA Astrophysics Data System (ADS)

Trenary, Michael

1990-10-01

The equipment purchased is to be used in an experimental study of the relationship between atomic structure and chemical reactivity for boron and carbon surfaces. This research is currently being supported by grant AFOSR-88-0111. A renewal proposal is currently pending with AFOSR to continue these studies. Carbon and boron are exceptionally stable, covalently bonded solids with highly unique crystal structures. The specific reactions to be studied are loosely related to the problems of oxidation and oxidation inhibition of carbon/carbon composites. The main experimental instrument to be used is a scanning tunneling microscope (STM) purchased under grant number AFSOR-89-0146. Other techniques to be used include Auger electron spectroscopy, X-ray photoelectron spectroscopy (XPS), ultraviolet photoelectron spectroscopy (UPS), low energy electron diffraction (LEED), temperature programmed desorption (TPD) and scanning tunneling microscopy (STM).

A non-invasive assessment of skin carotenoid status through reflection spectroscopy is a feasible, reliable and potentially valid measure of fruit and vegetable consumption in a diverse community sample

USDA-ARS?s Scientific Manuscript database

This study assessed the feasibility, reliability and validity of reflection spectroscopy (RS) to assess skin carotenoids in a racially diverse sample. Study 1 was a cross-sectional study of corner store customers (n= 479) in Eastern North Carolina USA who completed the National Cancer Institute Frui...

Time-resolved resonance fluorescence spectroscopy for study of chemical reactions in laser-induced plasmas.

PubMed

Liu, Lei; Deng, Leimin; Fan, Lisha; Huang, Xi; Lu, Yao; Shen, Xiaokang; Jiang, Lan; Silvain, Jean-François; Lu, Yongfeng

2017-10-30

Identification of chemical intermediates and study of chemical reaction pathways and mechanisms in laser-induced plasmas are important for laser-ablated applications. Laser-induced breakdown spectroscopy (LIBS), as a promising spectroscopic technique, is efficient for elemental analyses but can only provide limited information about chemical products in laser-induced plasmas. In this work, time-resolved resonance fluorescence spectroscopy was studied as a promising tool for the study of chemical reactions in laser-induced plasmas. Resonance fluorescence excitation of diatomic aluminum monoxide (AlO) and triatomic dialuminum monoxide (Al 2 O) was used to identify these chemical intermediates. Time-resolved fluorescence spectra of AlO and Al 2 O were used to observe the temporal evolution in laser-induced Al plasmas and to study their formation in the Al-O 2 chemistry in air.

In vivo determination of multiple indices of periodontal inflammation by optical spectroscopy

PubMed Central

Liu, KZ; Xiang, XM; Man, A; Sowa, MG; Cholakis, N; Ghiabi, E; Singer, DL; Scott, DA

2008-01-01

Background and Objective Visible – near infrared (optical) spectroscopy can be used to measure regional tissue hemodynamics and edema and, therefore, may represent an ideal tool with which to non-invasively study periodontal inflammation. The study objective was to evaluate the ability of optical spectroscopy to simultaneously determine multiple inflammatory indices (tissue oxygenation, total tissue hemoglobin, deoxyhemoglobin, oxygenated hemoglobin, and tissue edema) in periodontal tissues in vivo. Material and Methods Spectra were obtained, processed, and evaluated from healthy, gingivitis, and periodontitis sites (n = 133) using a portable optical – near infrared spectrometer. A modified Beer-Lambert unmixing model that incorporates a nonparametric scattering loss function was used to determine the relative contribution of each inflammatory component to the overall spectrum. Results Optical spectroscopy was harnessed to successfully generate complex inflammatory profiles in periodontal tissues. Tissue oxygenation at periodontitis sites was significantly decreased (p<0.05) compared to gingivitis and healthy controls. This is largely due to an increase in deoxyhemoglobin in the periodontitis sites compared to healthy (p<0.01) and gingivitis (p=0.05) sites. Tissue water content per se showed no significant difference between the sites but a water index associated with tissue electrolyte levels and temperature differed was significantly between periodontitis sites when compared to both healthy and gingivitis sites (p<0.03). Conclusion This study establishes that optical spectroscopy can simultaneously determine multiple inflammatory indices directly in the periodontal tissues in vivo. Visible - near infrared spectroscopy has the potential to be developed into a simple, reagent-free, user friendly, chair-side, site-specific, diagnostic and prognostic test for periodontitis. PMID:18973538

Studies of Hot Photoluminescence in Plasmonically Coupled Silicon via Variable Energy Excitation and Temperature-Dependent Spectroscopy

PubMed Central

2015-01-01

By integrating silicon nanowires (∼150 nm diameter, 20 μm length) with an Ω-shaped plasmonic nanocavity, we are able to generate broadband visible luminescence, which is induced by high order hybrid nanocavity-surface plasmon modes. The nature of this super bandgap emission is explored via photoluminescence spectroscopy studies performed with variable laser excitation energies (1.959 to 2.708 eV) and finite difference time domain simulations. Furthermore, temperature-dependent photoluminescence spectroscopy shows that the observed emission corresponds to radiative recombination of unthermalized (hot) carriers as opposed to a resonant Raman process. PMID:25120156

Raman Spectroscopy Detects Cardiac Allograft Rejection with Molecular Specificity

PubMed Central

Chung, Yoon Gi; Tu, Qiang; Cao, Dianjun; Harada, Shuko; Eisen, Howard J; Chang, Chang

2009-01-01

Abstract Spatially resolved Raman spectroscopy is shown here to be capable of molecular‐specific detection without exogenous labeling. This molecular specificity is achieved by detecting the strong and characteristic Raman spectral signature of an indole derivative, serotonin, whose selective existence in rejected heart transplants serves as the biomarker. The study also corroborates the increasingly recognized role of serotonin receptors in various immune responses, including cardiac allograft rejection. Combining both medical and physical sciences, this work demonstrates the potential use of Raman spectroscopy in replacing the invasive endomyocardial biopsy as the standard for post‐transplantation rejection surveillance and presents a new paradigm in advancing clinical care through interdisciplinary studies. PMID:20443894

Time-resolved fluorescence spectroscopy of human brain tumors

NASA Astrophysics Data System (ADS)

Marcu, Laura; Thompson, Reid C.; Garde, Smita; Sedrak, Mark; Black, Keith L.; Yong, William H.

2002-05-01

Fluorescence spectroscopy of the endogenous emission of brain tumors has been researched as a potentially important method for the intraoperative localization of brain tumor margins. In this study, we investigate the use of time-resolved laser-induced fluorescence spectroscopy (TR-LIFS) for demarcation of primary brain tumors by studying the time-resolved spectra of gliomas of different histologic grades. Time-resolved fluorescence (3 ns, 337 nm excitation) from excised human brain tumor show differences between the time-resolved emission of malignant glioma and normal brain tissue (gray and white matter). Our findings suggest that brain tumors can be differentiated from normal brain tissue based upon unique time-resolved fluorescence signature.

Investigation of the surface sensitivity of positron-annihilation-induced Auger-electron spectroscopy

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

Mehl, D.R.

1990-01-01

The first surface sensitivity studies of positron-annihilation-induced Auger-electron spectroscopy (PAES) are presented. Preliminary measurements on polycrystalline Al with adsorbates indicate that PAES is more selective of the surface than conventional electron-induced Auger electron spectroscopy (EAES). PAES and EAES studies of well-defined overlayer-metal systems of Cu(110)+S and Cu(110)+Cs verify that PAES is selective of the top atomic layer. This surface selectivity is accounted for by theoretical calculations which indicate that the positron surface state is displaced away from the substrate by the over-layer, decreasing the annihilation rate of positrons with substrate core electrons.

Charge carrier dynamics of GaAs/AlGaAs asymmetric double quantum wells at room temperature studied by optical pump terahertz probe spectroscopy

NASA Astrophysics Data System (ADS)

Afalla, Jessica; Ohta, Kaoru; Tokonami, Shunrou; Prieto, Elizabeth Ann; Catindig, Gerald Angelo; Cedric Gonzales, Karl; Jaculbia, Rafael; Vasquez, John Daniel; Somintac, Armando; Salvador, Arnel; Estacio, Elmer; Tani, Masahiko; Tominaga, Keisuke

2017-11-01

Two asymmetric double quantum wells of different coupling strengths (barrier widths) were grown via molecular beam epitaxy, both samples allowing tunneling. Photoluminescence was measured at 10 and 300 K to provide evidence of tunneling, barrier dependence, and structural uniformity. Carrier dynamics at room temperature was investigated by optical pump terahertz probe (OPTP) spectroscopy. Carrier population decay rates were obtained and photoconductivity spectra were analyzed using the Drude model. This work demonstrates that carrier, and possibly tunneling dynamics in asymmetric double quantum well structures may be studied at room temperature through OPTP spectroscopy.

Social Perception in Infancy: A Near Infrared Spectroscopy Study

ERIC Educational Resources Information Center

Lloyd-Fox, Sarah; Blasi, Anna; Volein, Agnes; Everdell, Nick; Elwell, Claire E.; Johnson, Mark H.

2009-01-01

The capacity to engage and communicate in a social world is one of the defining characteristics of the human species. While the network of regions that compose the social brain have been the subject of extensive research in adults, there are limited techniques available for monitoring young infants. This study used near infrared spectroscopy to…

“Self-absorption” phenomenon in near-infrared Fourier transform Raman spectroscopy of cellulosic and lignocellulosic materials

Treesearch

Umesh P. Agarwal; Nancy Kawai

2005-01-01

While cellulosic and lignocellulosic materials have been studied using conventional Raman spectroscopy, availability of near-infrared (NIR) Fourier transform (FT) Raman instrumentation has made studying these materials much more convenient. This is especially true because the problem of laser-induced fluorescence can be avoided or minimized in FT- Raman (NIR Raman)...

Tunneling Spectroscopy Study of Spin-Polarized Quasiparticle Injection Effects in Cuparate/Manganite Heterostructures

NASA Technical Reports Server (NTRS)

Wei, J. Y. T.; Yeh, N. C.; Vasquez, R. P.

1998-01-01

Scanning tunneling spectroscopy was performed at 4.2K on epitaxial thin-film heterostructures comprising YBa2Cu3O7 and La0.7Ca0.3MnO3, to study the microscopic effects of spin-polarized quasiparticle injection from the half-metallic ferromagnetic manganite on the high-Tc cuprate superconductor.

Synthesis and electrochemical properties of polyaniline nanofibers by interfacial polymerization.

PubMed

Manuel, James; Ahn, Jou-Hyeon; Kim, Dul-Sun; Ahn, Hyo-Jun; Kim, Ki-Won; Kim, Jae-Kwang; Jacobsson, Per

2012-04-01

Polyaniline nanofibers were prepared by interfacial polymerization with different organic solvents such as chloroform and carbon tetrachloride. Field emission scanning electron microscopy and transmission electron microscopy were used to study the morphological properties of polyaniline nanofibers. Chemical characterization was carried out using Fourier transform infrared spectroscopy, UV-Vis spectroscopy, and X-ray diffraction spectroscopy and surface area was measured using BET isotherm. Polyaniline nanofibers doped with lithium hexafluorophosphate were prepared and their electrochemical properties were evaluated.

International Symposium on Electrochemical Impedance Spectroscopy (2nd) Held in Santa Barbara, California on 12-17 July 1992 (Extended Abstracts)

DTIC Science & Technology

1992-01-01

Spectroscopy Evaluation of Painted Steel Under Cathodic Isabel C.P. Margant. aa MaflD$ and Protecuon Joaquim Pereira Quintela Determination of ...in BML/ Graphite Fiber Composites Using ElectrochemiczJ Impedance Spectroscopy Corrosion of Steel in Concrete Studied by F. Wenger and J Gal~and...and Neutral Solutions EIS As A Means of Evaluating Electroless Nickel E.T. van der Kouwe Deposits Characterization of Aluminum Surface Treatments J

Cancer diagnosis by infrared spectroscopy: methodological aspects

NASA Astrophysics Data System (ADS)

Jackson, Michael; Kim, Keith; Tetteh, John; Mansfield, James R.; Dolenko, Brion; Somorjai, Raymond L.; Orr, F. W.; Watson, Peter H.; Mantsch, Henry H.

1998-04-01

IR spectroscopy is proving to be a powerful tool for the study and diagnosis of cancer. The application of IR spectroscopy to the analysis of cultured tumor cells and grading of breast cancer sections is outlined. Potential sources of error in spectral interpretation due to variations in sample histology and artifacts associated with sample storage and preparation are discussed. The application of statistical techniques to assess differences between spectra and to non-subjectively classify spectra is demonstrated.

A novel analytical method for pharmaceutical polymorphs by terahertz spectroscopy and the optimization of crystal form at the discovery stage.

PubMed

Ikeda, Yukihiro; Ishihara, Yoko; Moriwaki, Toshiya; Kato, Eiji; Terada, Katsuhide

2010-01-01

A novel analytical method for the determination of pharmaceutical polymorphs was developed using terahertz spectroscopy. It was found out that each polymorph of a substance showed a specific terahertz absorption spectrum. In particular, analysis of the second derivative spectrum was enormously beneficial in the discrimination of closely related polymorphs that were difficult to discern by powder X-ray diffractometry. Crystal forms that were obtained by crystallization from various solvents and stored under various conditions were specifically characterized by the second derivative of each terahertz spectrum. Fractional polymorphic transformation for substances stored under stressed conditions was also identified by terahertz spectroscopy during solid-state stability test, but could not be detected by powder X-ray diffractometry. Since polymorphs could be characterized clearly by terahertz spectroscopy, further physicochemical studies could be conducted in a timely manner. The development form of compound examined was determined by the results of comprehensive physicochemical studies that included thermodynamic relationships, as well as chemical and physicochemical stability. In conclusion, terahertz spectroscopy, which has unique power in the elucidation of molecular interaction within a crystal lattice, can play more important role in physicochemical research. Terahertz spectroscopy has a great potential as a tool for polymorphic determination, particularly since the second derivative of the terahertz spectrum possesses high sensitivity for pharmaceutical polymorphs.

Probing Pharmaceutical Mixtures during Milling: The Potency of Low-Frequency Raman Spectroscopy in Identifying Disorder.

PubMed

Walker, Greg; Römann, Philipp; Poller, Bettina; Löbmann, Korbinian; Grohganz, Holger; Rooney, Jeremy S; Huff, Gregory S; Smith, Geoffrey P S; Rades, Thomas; Gordon, Keith C; Strachan, Clare J; Fraser-Miller, Sara J

2017-12-04

This study uses a multimodal analytical approach to evaluate the rates of (co)amorphization of milled drug and excipient and the effectiveness of different analytical methods in detecting these changes. Indomethacin and tryptophan were the model substances, and the analytical methods included low-frequency Raman spectroscopy (785 nm excitation and capable of measuring both low- (10 to 250 cm -1 ) and midfrequency (450 to 1800 cm -1 ) regimes, and a 830 nm system (5 to 250 cm -1 )), conventional (200-3000 cm -1 ) Raman spectroscopy, Fourier transform infrared spectroscopy (FTIR), and X-ray powder diffraction (XRPD). The kinetics of amorphization were found to be faster for the mixture, and indeed, for indomethacin, only partial amorphization occurred (after 360 min of milling). Each technique was capable of identifying the transformations, but some, such as low-frequency Raman spectroscopy and XRPD, provided less ambiguous signatures than the midvibrational frequency techniques (conventional Raman and FTIR). The low-frequency Raman spectra showed intense phonon mode bands for the crystalline and cocrystalline samples that could be used as a sensitive probe of order. Multivariate analysis has been used to further interpret the spectral changes. Overall, this study demonstrates the potential of low-frequency Raman spectroscopy, which has several practical advantages over XRPD, for probing (dis-)order during pharmaceutical processing, showcasing its potential for future development, and implementation as an in-line process monitoring method.

Use of portable X-ray fluorescence spectroscopy and geostatistics for health risk assessment.

PubMed

Yang, Meng; Wang, Cheng; Yang, Zhao-Ping; Yan, Nan; Li, Feng-Ying; Diao, Yi-Wei; Chen, Min-Dong; Li, Hui-Ming; Wang, Jin-Hua; Qian, Xin

2018-05-30

Laboratory analysis of trace metals using inductively coupled plasma (ICP) spectroscopy is not cost effective, and the complex spatial distribution of soil trace metals makes their spatial analysis and prediction problematic. Thus, for the health risk assessment of exposure to trace metals in soils, portable X-ray fluorescence (PXRF) spectroscopy was used to replace ICP spectroscopy for metal analysis, and robust geostatistical methods were used to identify spatial outliers in trace metal concentrations and to map trace metal distributions. A case study was carried out around an industrial area in Nanjing, China. The results showed that PXRF spectroscopy provided results for trace metal (Cu, Ni, Pb and Zn) levels comparable to ICP spectroscopy. The results of the health risk assessment showed that Ni posed a higher non-carcinogenic risk than Cu, Pb and Zn, indicating a higher priority of concern than the other elements. Sampling locations associated with adverse health effects were identified as 'hotspots', and high-risk areas were delineated from risk maps. These 'hotspots' and high-risk areas were in close proximity to and downwind from petrochemical plants, indicating the dominant role of industrial activities as the major sources of trace metals in soils. The approach used in this study could be adopted as a cost-effective methodology for screening 'hotspots' and priority areas of concern for cost-efficient health risk management. Copyright © 2018 Elsevier Inc. All rights reserved.

Synchrotron Radiation Circular Dichroism (SRCD) Spectroscopy - An Enhanced Method for Examining Protein Conformations and Protein Interactions

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

B Wallace; R Janes

CD (circular dichroism) spectroscopy is a well-established technique in structural biology. SRCD (synchrotron radiation circular dichroism) spectroscopy extends the utility and applications of conventional CD spectroscopy (using laboratory-based instruments) because the high flux of a synchrotron enables collection of data at lower wavelengths (resulting in higher information content), detection of spectra with higher signal-to-noise levels and measurements in the presence of absorbing components (buffers, salts, lipids and detergents). SRCD spectroscopy can provide important static and dynamic structural information on proteins in solution, including secondary structures of intact proteins and their domains, protein stability, the differences between wild-type and mutant proteins,more » the identification of natively disordered regions in proteins, and the dynamic processes of protein folding and membrane insertion and the kinetics of enzyme reactions. It has also been used to effectively study protein interactions, including protein-protein complex formation involving either induced-fit or rigid-body mechanisms, and protein-lipid complexes. A new web-based bioinformatics resource, the Protein Circular Dichroism Data Bank (PCDDB), has been created which enables archiving, access and analyses of CD and SRCD spectra and supporting metadata, now making this information publicly available. To summarize, the developing method of SRCD spectroscopy has the potential for playing an important role in new types of studies of protein conformations and their complexes.« less

In situ vibrational spectroscopy of adsorbed nitrogen in porous carbon materials

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

Ray, Paramita; Xu, Enshi; Crespi, Vincent H.

This study uses in situ vibrational spectroscopy to probe nitrogen adsorption to porous carbon materials, including single-wall carbon nanotubes and Maxsorb super-activated carbon, demonstrating how the nitrogen Raman stretch mode is perturbed by adsorption.

THE EVOLUTION OF ATOMIC SPECTROSCOPY IN MEASURING TOXIC CONTAMINANTS

EPA Science Inventory

Three decades of study of environmental conditions necessary for the protection of freshwater
aquatic life have been limited by the development and application of analytical methodology utilizing atomic adsorption, atomic fluorescence, and atomic emission spectroscopy.
The...

In situ vibrational spectroscopy of adsorbed nitrogen in porous carbon materials

DOE PAGES

Ray, Paramita; Xu, Enshi; Crespi, Vincent H.; ...

2018-01-01

This study uses in situ vibrational spectroscopy to probe nitrogen adsorption to porous carbon materials, including single-wall carbon nanotubes and Maxsorb super-activated carbon, demonstrating how the nitrogen Raman stretch mode is perturbed by adsorption.

[Rapid identification of potato cultivars using NIR-excited fluorescence and Raman spectroscopy].

PubMed

Dai, Fen; Bergholt, Mads Sylvest; Benjamin, Arnold Julian Vinoj; Hong, Tian-Sheng; Zhiwei, Huang

2014-03-01

Potato is one of the most important food in the world. Rapid and noninvasive identification of potato cultivars plays a important role in the better use of varieties. In this study, The identification ability of optical spectroscopy techniques, including near-infrared (NIR) Raman spectroscopy and NIR fluorescence spectroscopy, for invasive detection of potato cultivars was evaluated. A rapid NIR Raman spectroscopy system was applied to measure the composite Raman and NIR fluorescence spectroscopy of 3 different species of potatoes (98 samples in total) under 785 nm laser light excitation. Then pure Raman and NIR fluorescence spectroscopy were abstracted from the composite spectroscopy, respectively. At last, the partial least squares-discriminant analysis (PLS-DA) was utilized to analyze and classify Raman spectra of 3 different types of potatoes. All the samples were divided into two sets at random: the calibration set (74samples) and prediction set (24 samples), the model was validated using a leave-one-out, cross-validation method. The results showed that both the NIR-excited fluorescence spectra and pure Raman spectra could be used to identify three cultivars of potatoes. The fluorescence spectrum could distinguish the Favorita variety well (sensitivity: 1, specificity: 0.86 and accuracy: 0.92), but the result for Diamant (sensitivity: 0.75, specificity: 0.75 and accuracy: 0. 75) and Granola (sensitivity: 0.16, specificity: 0.89 and accuracy: 0.71) cultivars identification were a bit poorer. We demonstrated that Raman spectroscopy uncovered the main biochemical compositions contained in potato species, and provided a better classification sensitivity, specificity and accuracy (sensitivity: 1, specificity: 1 and accuracy: 1 for all 3 potato cultivars identification) among the three types of potatoes as compared to fluorescence spectroscopy.

A next generation positron microscope and a survey of candidate samples for future positron studies

NASA Astrophysics Data System (ADS)

Dull, Terry Lou

A positron microscope has been constructed and is nearing the conclusion of its assembly and testing. The instrument is designed to perform positron and electron microscopy in both scanning and magnifying modes. In scanning mode, a small beam of particles is rastered across the target and the amplitude of a positron or electron related signal is recorded as a function of position. For positrons this signal may come from Doppler Broadening Spectroscopy, Reemitted Positron Spectroscopy or Positron Annihilation Lifetime Spectroscopy. For electrons this signal may come from the number of secondary electrons or Auger Electron Spectroscopy. In magnifying mode an incident beam of particles is directed onto the target and emitted particles, either secondary electrons or reemitted positrons, are magnified to form an image. As a positron microscope the instrument will primarily operate in magnifying mode, as a positron reemission microscope. As an electron microscope the instrument will be able to operate in both magnifying and scanning modes. Depth-profiled Doppler Broadening Spectroscopy studies using a non-microscopic low-energy positron beam have also been performed on a series of samples to ascertain the applicability of positron spectroscopies and/or microscopy to their study. All samples have sub-micron film and/or feature size and thus are only susceptible to positron study with low-energy beams. Several stoichiometries and crystallinities of chalcogenide thin films (which can be optically reversibly switched between crystalline states) were studied and a correlation was found to exist between the amorphous/FCC S-parameter difference and the amorphous/FCC switching time. Amorphous silicon films were studied in an attempt to observe the well-established Staebler-Wronski effect as well as the more controversial photodilatation effect. However, DBS was not able to detect either effect. The passive oxide films on titanium and aluminum were studied in an attempt to verify the Point Defect Model, a detailed, but as yet microscopically unconfirmed, theory of the corrosive breakdown of passive films. DBS results supportive of the PDM were observed. Graphitic carbon fibers were also studied and DBS indicated the presence of a 200 nm thick outer fiber skin possibly characterized by a high degree of graphitic crystallite alignment.

Broadband near-field mid-infrared spectroscopy and application to phonon resonances in quartz.

PubMed

Ishikawa, Michio; Katsura, Makoto; Nakashima, Satoru; Ikemoto, Yuka; Okamura, Hidekazu

2012-05-07

Infrared (IR) spectroscopy is a versatile analytical method and nano-scale spatial resolution could be achieved by scattering type near-field optical microscopy (s-SNOM). The spectral bandwidth was, however, limited to approximately 300 cm(-1) with a laser light source. In the present study, the development of a broadband mid-IR near-field spectroscopy with a ceramic light source is demonstrated. A much wider bandwidth (at least 3000 to 1000 cm(-1)) is achieved with a ceramic light source. The experimental data on quartz Si-O phonon resonance bands are well reproduced by theoretical simulations indicating the validity of the present broadband near-field IR spectroscopy.

Photonics and spectroscopy in nanojunctions: a theoretical insight

DOE PAGES

Galperin, Michael

2017-04-11

The progress of experimental techniques at the nanoscale in the last decade made optical measurements in current-carrying nanojunctions a reality, thus indicating the emergence of a new field of research coined optoelectronics. Optical spectroscopy of open nonequilibrium systems is a natural meeting point for (at least) two research areas: nonlinear optical spectroscopy and quantum transport, each with its own theoretical toolbox. We review recent progress in the field comparing theoretical treatments of optical response in nanojunctions as is accepted in nonlinear spectroscopy and quantum transport communities. A unified theoretical description of spectroscopy in nanojunctions is presented. Here, we argue thatmore » theoretical approaches of the quantum transport community (and in particular, the Green function based considerations) yield a convenient tool for optoelectronics when the radiation field is treated classically, and that differences between the toolboxes may become critical when studying the quantum radiation field in junctions.« less

Electronic Structure of the Organic Semiconductor Alq3 (aluminum tris-8-hydroxyquinoline) from Soft X-ray Spectroscopies and Density Functional Theory Calculations

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

DeMasi, A.; Piper, L; Zhang, Y

2008-01-01

The element-specific electronic structure of the organic semiconductor aluminum tris-8-hydroxyquinoline (Alq3) has been studied using a combination of resonant x-ray emission spectroscopy, x-ray photoelectron spectroscopy, x-ray absorption spectroscopy, and density functional theory (DFT) calculations. Resonant and nonresonant x-ray emission spectroscopy were used to measure directly the carbon, nitrogen and oxygen 2p partial densities of states in Alq3, and good agreement was found with the results of DFT calculations. Furthermore, resonant x-ray emission at the carbon K-edge is shown to be able to measure the partial density of states associated with individual C sites. Finally, comparison of previous x-ray emission studiesmore » and the present data reveal the presence of clear photon-induced damage in the former.« less

Fundamental High-Speed Limits in Single-Molecule, Single-Cell, and Nanoscale Force Spectroscopies

PubMed Central

2016-01-01

Force spectroscopy is enhancing our understanding of single-biomolecule, single-cell, and nanoscale mechanics. Force spectroscopy postulates the proportionality between the interaction force and the instantaneous probe deflection. By studying the probe dynamics, we demonstrate that the total force acting on the probe has three different components: the interaction, the hydrodynamic, and the inertial. The amplitudes of those components depend on the ratio between the resonant frequency and the frequency at which the data are measured. A force–distance curve provides a faithful measurement of the interaction force between two molecules when the inertial and hydrodynamic components are negligible. Otherwise, force spectroscopy measurements will underestimate the value of unbinding forces. Neglecting the above force components requires the use of frequency ratios in the 50–500 range. These ratios will limit the use of high-speed methods in force spectroscopy. The theory is supported by numerical simulations. PMID:27359243

Contribution of Mössbauer spectroscopy to the investigation of Fe/S biogenesis.

PubMed

Garcia-Serres, Ricardo; Clémancey, Martin; Latour, Jean-Marc; Blondin, Geneviève

2018-01-19

Fe/S cluster biogenesis involves a complex machinery comprising several mitochondrial and cytosolic proteins. Fe/S cluster biosynthesis is closely intertwined with iron trafficking in the cell. Defects in Fe/S cluster elaboration result in severe diseases such as Friedreich ataxia. Deciphering this machinery is a challenge for the scientific community. Because iron is a key player, 57 Fe-Mössbauer spectroscopy is especially appropriate for the characterization of Fe species and monitoring the iron distribution. This minireview intends to illustrate how Mössbauer spectroscopy contributes to unravel steps in Fe/S cluster biogenesis. Studies were performed on isolated proteins that may be present in multiple protein complexes. Since a few decades, Mössbauer spectroscopy was also performed on whole cells or on isolated compartments such as mitochondria and vacuoles, affording an overview of the iron trafficking. This minireview aims at presenting selected applications of 57 Fe-Mössbauer spectroscopy to Fe/S cluster biogenesis.

Solid state speciation of uranium and its local structure in Sr2CeO4 using photoluminescence spectroscopy.

PubMed

Sahu, M; Gupta, Santosh K; Jain, D; Saxena, M K; Kadam, R M

2018-04-15

An effort was taken to carry our speciation study of uranium ion in technologically important cerate host Sr 2 CeO 4 using time resolved photoluminescence spectroscopy. Such studies are not relevant only to nuclear industry but can give rich insight into fundamentals of 5f electron chemistry in solid state systems. In this work both undoped and varied amount of uranium doped Sr 2 CeO 4 compound is synthesized using complex polymerization method and is characterized systematically using X-ray diffraction (XRD), Raman spectroscopy, impedance spectroscopy and scanning electron microscopy (SEM). Both XRD and Raman spectroscopy confirmed the formation of pure Sr 2 CeO 4 which has tendency to decompose peritectically to SrCeO 3 and SrO at higher temperature. Uranium doping is confirmed by XRD. Uranium exhibits a rich chemistry owing to its variable oxidation state from +3 to +6. Each of them exhibits distinct luminescence properties either due to f-f transitions or ligand to metal charge transfer (LMCT). We have taken Sr 2 CeO 4 as a model host lattice to understand the photophysical characteristics of uranium ion in it. Emission spectroscopy revealed the stabilization of uranium as U (VI) in the form of UO 6 6- (octahedral uranate) in Sr 2 CeO 4 . Emission kinetics study reflects that uranate ions are not homogeneously distributed in Sr 2 CeO 4 and it has two different environments due to its stabilization at both Sr 2+ as well as Ce 4+ site. The lifetime population analysis interestingly pinpointed that majority of uranate ion resided at Ce 4+ site. The critical energy-transfer distance between the uranate ion was determined based on which the concentration quenching mechanism was attributed to electric multipolar interaction. These studies are very important in designing Sr 2 CeO 4 based optoelectronic material as well exploring it for actinides studies. Copyright © 2018 Elsevier B.V. All rights reserved.

Solid state speciation of uranium and its local structure in Sr2CeO4 using photoluminescence spectroscopy

NASA Astrophysics Data System (ADS)

Sahu, M.; Gupta, Santosh K.; Jain, D.; Saxena, M. K.; Kadam, R. M.

2018-04-01

An effort was taken to carry our speciation study of uranium ion in technologically important cerate host Sr2CeO4 using time resolved photoluminescence spectroscopy. Such studies are not relevant only to nuclear industry but can give rich insight into fundamentals of 5f electron chemistry in solid state systems. In this work both undoped and varied amount of uranium doped Sr2CeO4 compound is synthesized using complex polymerization method and is characterized systematically using X-ray diffraction (XRD), Raman spectroscopy, photoluminescence spectroscopy and scanning electron microscopy (SEM). Both XRD and Raman spectroscopy confirmed the formation of pure Sr2CeO4 which has tendency to decompose peritectically to SrCeO3 and SrO at higher temperature. Uranium doping is confirmed by XRD. Uranium exhibits a rich chemistry owing to its variable oxidation state from +3 to +6. Each of them exhibits distinct luminescence properties either due to f-f transitions or ligand to metal charge transfer (LMCT). We have taken Sr2CeO4 as a model host lattice to understand the photophysical characteristics of uranium ion in it. Emission spectroscopy revealed the stabilization of uranium as U (VI) in the form of UO66- (octahedral uranate) in Sr2CeO4. Emission kinetics study reflects that uranate ions are not homogeneously distributed in Sr2CeO4 and it has two different environments due to its stabilization at both Sr2+ as well as Ce4+ site. The lifetime population analysis interestingly pinpointed that majority of uranate ion resided at Ce4+ site. The critical energy-transfer distance between the uranate ion was determined based on which the concentration quenching mechanism was attributed to electric multipolar interaction. These studies are very important in designing Sr2CeO4 based optoelectronic material as well exploring it for actinides studies.

Local symmetry breaking in SnO2 nanocrystals with cobalt doping and its effect on optical properties.

PubMed

Roy, S; Joshi, Amish G; Chatterjee, S; Ghosh, Anup K

2018-06-07

X-ray photoemission spectroscopy (XPS), X-ray diffraction (XRD) and transmission electron microscopy (TEM) have been used to study the structural and morphological characteristics of cobalt doped tin(iv) oxide (Sn1-xCoxO2; 0 ≤ x ≤ 0.04) nanocrystals synthesized by a chemical co-precipitation technique. Electronic structure analysis using X-ray photoemission spectroscopy (XPS) shows the formation of tin interstitials (Sni) and reduction of oxygen vacancies (VO) in the host lattice on Co doping and that the doped Co exists in mixed valence states of +2 and +3. Using XRD, the preferential position of the Sni and doped Co in the unit cell of the nanocrystals have been estimated. Rietveld refinement of XRD data shows that samples are of single phase and variation of lattice constants follows Vegard's law. XRD and TEM measurements show that the crystallite size of the nanocrystals decrease with increase in Co doping concentration. SAED patterns confirm the monocrystalline nature of the samples. The study of the lattice dynamics using Raman spectroscopy and Fourier transform infrared (FTIR) spectroscopy shows the existence of many disorder activated forbidden optical phonon modes, along with the corresponding classical modes, signifying Co induced local symmetry breaking in the nanocrystals. UV-Vis spectroscopy shows that the optical band gap has red shifted with increase in doping concentration. The study of Urbach energy confirms the increase in disorder in the nanocrystals with Co doping. Local symmetry breaking induced UV emission along with violet, blue and green luminescence has been observed from the PL study. The spectral contribution of UV emission decreases and green luminescence increases with increase in doping. Using PL, in conjunction with Raman spectroscopy, the type of oxygen vacancy induced in the nanocrystals on Co doping has been confirmed and the position of the defect levels in the forbidden zone (w.r.t. the optical band gap) has been studied.

Two-dimensional correlation spectroscopy in polymer study

PubMed Central

Park, Yeonju; Noda, Isao; Jung, Young Mee

2015-01-01

This review outlines the recent works of two-dimensional correlation spectroscopy (2DCOS) in polymer study. 2DCOS is a powerful technique applicable to the in-depth analysis of various spectral data of polymers obtained under some type of perturbation. The powerful utility of 2DCOS combined with various analytical techniques in polymer studies and noteworthy developments of 2DCOS used in this field are also highlighted. PMID:25815286

White light emitting diode as potential replacement of tungsten-halogen lamp for visible spectroscopy system: a case study in the measurement of mango qualities

NASA Astrophysics Data System (ADS)

Chiong, W. L.; Omar, A. F.

2017-07-01

Non-destructive technique based on visible (VIS) spectroscopy using light emitting diode (LED) as lighting was used for evaluation of the internal quality of mango fruit. The objective of this study was to investigate feasibility of white LED as lighting in spectroscopic instrumentation to predict the acidity and soluble solids content of intact Sala Mango. The reflectance spectra of the mango samples were obtained and measured in the visible range (400-700 nm) using VIS spectroscopy illuminated under different white LEDs and tungsten-halogen lamp (pro lamp). Regression models were developed by multiple linear regression to establish the relationship between spectra and internal quality. Direct calibration transfer procedure was then applied between master and slave lighting to check on the acidity prediction results after transfer. Determination of mango acidity under white LED lighting was successfully performed through VIS spectroscopy using multiple linear regression but otherwise for soluble solids content. Satisfactory results were obtained for calibration transfer between LEDs with different correlated colour temperature indicated this technique was successfully used in spectroscopy measurement between two similar light sources in prediction of internal quality of mango.

Applications of UV/Vis Spectroscopy in Characterization and Catalytic Activity of Noble Metal Nanoparticles Fabricated in Responsive Polymer Microgels: A Review.

PubMed

Begum, Robina; Farooqi, Zahoor H; Naseem, Khalida; Ali, Faisal; Batool, Madeeha; Xiao, Jianliang; Irfan, Ahmad

2018-11-02

Noble metal nanoparticles loaded smart polymer microgels have gained much attention due to fascinating combination of their properties in a single system. These hybrid systems have been extensively used in biomedicines, photonics, and catalysis. Hybrid microgels are characterized by using various techniques but UV/Vis spectroscopy is an easily available technique for characterization of noble metal nanoparticles loaded microgels. This technique is widely used for determination of size and shape of metal nanoparticles. The tuning of optical properties of noble metal nanoparticles under various stimuli can be studied using UV/Vis spectroscopic method. Time course UV/Vis spectroscopy can also be used to monitor the kinetics of swelling and deswelling of microgels and hybrid microgels. Growth of metal nanoparticles in polymeric network or growth of polymeric network around metal nanoparticle core can be studied by using UV/Vis spectroscopy. This technique can also be used for investigation of various applications of hybrid materials in catalysis, photonics, and sensing. This tutorial review describes the uses of UV/Vis spectroscopy in characterization and catalytic applications of responsive hybrid microgels with respect to recent research progress in this area.

In vivo and in situ monitoring of the nitric oxide stimulus response of single cancer cells by Raman spectroscopy

NASA Astrophysics Data System (ADS)

Su, L.; Chen, Y.; Zhang, G. N.; Wang, L. H.; Shen, A. G.; Zhou, X. D.; Wang, X. H.; Hu, J. M.

2013-04-01

Raman spectroscopy is capable of studying time-resolved information of selected biomolecular distributions inside individual cells without labeling. In this study, Raman spectroscopy was for the first time utilized to in vivo and in situ monitor the cellular response to nitric oxide (NO) in single oral squamous cell carcinoma (OSCC) cells over a period of 24 h. Sodium nitroprusside (SNP) was chosen as a NO donor to be incubated with the OSCC cell line (TCA8113) for certain time intervals. In vivo and in situ Raman analysis revealed that the degradation and conformational changes of nucleic acids, lipids and proteins could be directly observed by changes in the characteristic Raman bands. In comparison with conventional flow cytometric analysis, Raman spectroscopy not only detected more subtle NO-induced chemical changes of cells, where the SNP concentration could be even less than 1 mM, but also provided a full view of the whole chemical components of single cells. Raman spectroscopy therefore is an important candidate for label-free, nondestructive and in situ monitoring of cellular changes in response to chemotherapeutic agents, which could potentially be used in rapid screening of novel drugs.

Nano-FTIR Spectroscopy to Investigate the Silicate Mineralogy of Mercury Analogues: Supporting MERTIS Onboard BepiColombo Mission

NASA Astrophysics Data System (ADS)

Varatharajan, I.; Maturilli, A.; Helbert, J.; Ulrich, G.; Born, K.; Namur, O.; Kästner, B.; Hecht, L.; Charlier, B.; Hiesinger, H.

2018-05-01

Nano-FTIR Spectroscopy is used to investigate the silicate mineralogy of synthetic Mercury analogues produced under reduced conditions representing different Mercury terrains. The study will support MERTIS payload onboard BepiColombo mission.

Raman Spectroscopy: An Emerging Tool in Neurodegenerative Disease Research and Diagnosis.

PubMed

Devitt, George; Howard, Kelly; Mudher, Amrit; Mahajan, Sumeet

2018-03-21

The pathogenesis underlining many neurodegenerative diseases remains incompletely understood. The lack of effective biomarkers and disease preventative medicine demands the development of new techniques to efficiently probe the mechanisms of disease and to detect early biomarkers predictive of disease onset. Raman spectroscopy is an established technique that allows the label-free fingerprinting and imaging of molecules based on their chemical constitution and structure. While analysis of isolated biological molecules has been widespread in the chemical community, applications of Raman spectroscopy to study clinically relevant biological species, disease pathogenesis, and diagnosis have been rapidly increasing since the past decade. The growing number of biomedical applications has shown the potential of Raman spectroscopy for detection of novel biomarkers that could enable the rapid and accurate screening of disease susceptibility and onset. Here we provide an overview of Raman spectroscopy and related techniques and their application to neurodegenerative diseases. We further discuss their potential utility in research, biomarker detection, and diagnosis. Challenges to routine use of Raman spectroscopy in the context of neuroscience research are also presented.

2012 Gordon Research Conference on Vibrational Spectroscopy - Formal Schedule and Speaker/Poster Program

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

Geiger, Franz

2012-08-10

The Vibrational Spectroscopy conference brings together experimentalists and theoreticians working at the frontiers of modern vibrational spectroscopy, with a special emphasis on spectroscopies that probe the structure and dynamics of molecules in gases, liquids, and at interfaces. The conference explores the wide range of state-of-the-art techniques based on vibrational motion. These techniques span the fields of time-domain, high-resolution frequency-domain, spatially-resolved, nonlinear, and multidimensional spectroscopies. The conference highlights both the application of these techniques in chemistry, materials, biology, the environment, and medicine as well as the development of theoretical models that enable one to connect spectroscopic signatures to underlying molecular motionsmore » including chemical reaction dynamics. The conference goal is to advance the field of vibrational spectroscopy by bringing together a collection of researchers who share common interests and who will gain from discussing work at the forefront of several connected areas. The intent is to emphasize the insights and understanding that studies of vibrations provide about a variety of molecular systems ranging from small polyatomic molecules to large biomolecules, nanomaterials, and environmental systems.« less

Terahertz spectroscopic investigations of leather in terahertz wave range

NASA Astrophysics Data System (ADS)

Song, Mei-jing; Li, Jiu-sheng

2012-03-01

Pulsed THz time-domain spectroscopy is a coherent technique, in which both the amplitude and the phase of a THz pulse are measured. Recently, material characterization using THz spectroscopy has been applied to biochemicals, pharmaceuticals, polymers and semiconductors and has given us important information. Moreover, THz imaging has progressed and is expected to be applicable for the identification of narcotics and explosives. The most important and characteristic point of THz spectroscopy is said to be its ability to observe intermolecular vibrations in contrast to infrared spectroscopy (IR), which observes intramolecular vibrations. Coherent detection enables direct calculations of both the imaginary and the real parts of the refractive index without using the Kramers-Kronig relations. Terahertz wave spectroscopy has been used to study the properties and absorption spectra characteristic of materials. In this paper, the spectral characteristics of cow skin, pig skin sheep skin, horse skin and deer skin have been measured with terahertz time-domain spectroscopy in the range of 0.1~2.0THz. The results show that THz-TDS technology provides an important tool for quality analysis and detection of leathers.

On the Exciton Coupling between Two Chlorophyll Pigments in the Absence of a Protein Environment: Intrinsic Effects Revealed by Theory and Experiment (German ed)

DTIC Science & Technology

2016-07-29

other micro- environmental effects. In pioneering experiments, Shafizadeh et al.[13] utilized two-color pump-probe spectroscopy to mea- sure the lowest...Institute for the Structure and Dynamics of Matter Luruper Chaussee 149, 22761 Hamburg (Germany) Prof. A. Rubio Nano-Bio Spectroscopy Group and ETSF...have applied the action spectroscopy method used previously on individual Chl pigments to the study of Chl a dimers in vacuo to evaluate the extent to

Gallium interstitial in irradiated germanium: Deep level transient spectroscopy

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

Kolkovsky, Vl.; Petersen, M. Christian; Larsen, A. Nylandsted

Two electronic levels at 0.34 eV above the valence band and 0.32 eV below the conduction band, in gallium doped, p-type Ge irradiated with 2 MeV electrons have been studied by deep level transient spectroscopy (DLTS) with both majority- and minority-carrier injections, and Laplace DLTS spectroscopy. It is concluded that these levels, having donor and acceptor characters, respectively, are correlated with interstitial Ga atoms, formed by the Watkins-replacement mechanism via self-interstitials.

Gallium interstitial in irradiated germanium: Deep level transient spectroscopy

NASA Astrophysics Data System (ADS)

Kolkovsky, Vl.; Petersen, M. Christian; Mesli, A.; van Gheluwe, J.; Clauws, P.; Larsen, A. Nylandsted

2008-12-01

Two electronic levels at 0.34 eV above the valence band and 0.32 eV below the conduction band, in gallium doped, p -type Ge irradiated with 2 MeV electrons have been studied by deep level transient spectroscopy (DLTS) with both majority- and minority-carrier injections, and Laplace DLTS spectroscopy. It is concluded that these levels, having donor and acceptor characters, respectively, are correlated with interstitial Ga atoms, formed by the Watkins-replacement mechanism via self-interstitials.

Dark spectroscopy at lepton colliders

NASA Astrophysics Data System (ADS)

Hochberg, Yonit; Kuflik, Eric; Murayama, Hitoshi

2018-03-01

Rich and complex dark sectors are abundant in particle physics theories. Here, we propose performing spectroscopy of the mass structure of dark sectors via mono-photon searches at lepton colliders. The energy of the mono-photon tracks the invariant mass of the invisible system it recoils against, which enables studying the resonance structure of the dark sector. We demonstrate this idea with several well-motivated models of dark sectors. Such spectroscopy measurements could potentially be performed at Belle II, BES-III and future low-energy lepton colliders.

Terahertz source requirements for molecular spectroscopy

NASA Astrophysics Data System (ADS)

De Lucia, Frank C.; Goyette, Thomas M.

1994-06-01

Molecular spectroscopy was the earliest application in the terahertz spectral region and remains one of the most important. With the development of modern technology, spectroscopy has expanded beyond the laboratory and is the basis for a number of important remote sensing systems, especially in atmospheric science and studies of the interstellar medium. Concurrently, these spectroscopic applications have been one of the prime motivators for the development of terahertz technology. This paper will review these issues in the context of the requirements placed on future technology developments by spectroscopic applications.

Terahertz source requirements for molecular spectroscopy

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

De Lucia, F.C.; Goyette, T.M.

1994-12-31

Molecular spectroscopy was the earliest application in the terahertz spectral region and remains one of the most important. With the development of modern technology, spectroscopy has expanded beyond the laboratory and is the basis for a number of important remote sensing systems, especially in atmospheric science and studies of the interstellar medium. Concurrently, these spectroscopic applications have been one of the prime motivators for the development of terahertz technology. This paper will review these issues in the context of the requirements placed on future technology developments by spectroscopic applications.

Synthesis and characterization of T[Ni(CN){sub 4}].2pyz with T=Fe, Ni; pyz=pyrazine: Formation of T-pyz-Ni bridges

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

Lemus-Santana, A.A.; Rodriguez-Hernandez, J.; Institute of Materials Science and Technology, University of Havana

2011-08-15

The formation of T-pyz-Ni bridges (pyz=pyrazine) in the T[Ni(CN){sub 4}].2pyz series is known for T=Mn, Zn, Cd and Co but not with T=Fe, Ni. In this contribution the existence of such bridges also for T=Fe, Ni is discussed. The obtained pillared solids, T[Ni(CN){sub 4}].2pyz, were characterized from XRD, TG, UV-Vis, IR, Raman, Moessbauer and magnetic data. Their crystal structures were refined in the orthorhombic Pmna space group from XRD powder patterns. The structural behavior of these solids on cooling down to 77 K was also studied. In the 180-200 K temperature range the occurrence of a structural transition to amore » monoclinic structure (P2{sub 1}/c space group) was observed. No temperature induced spin transition was observed for Fe[Ni(CN){sub 4}].2pyz. The iron (II) was found to be in high spin electronic state and this configuration is preserved on cooling down to 2 K. The magnetic data indicate the occurrence of a low temperature weak anti-ferromagnetic interaction between T metal centers within the T[Ni(CN){sub 4}] layer. In the paramagnetic region for Ni[Ni(CN){sub 4}].2pyz, a reversible temperature induced spin transition for the inner Ni atom was detected. - Graphical abstract: Rippled sheets structure for the pillared solids T[Ni(CN){sub 4}].2pyz. The pyrazine molecule is found forming T-pyz-Ni bridges between neighboring layers. Highlights: > Pillared 2D solids. > Inorganic-organic solids. > Assembling of molecular blocks. > From 1D and 2D building blocks to 3D solids.« less

MR imaging, proton MR spectroscopy, ultrasonographic, histologic findings in patients with chronic lymphedema.

PubMed

Fumiere, E; Leduc, O; Fourcade, S; Becker, C; Garbar, C; Demeure, R; Wilputte, F; Leduc, A; Delcour, C

2007-12-01

Lymphedema is a progressive disease with multiple alterations occurring in the dermis. We undertook this study using high-frequency ultrasonography (US), magnetic resonance imaging, proton MR spectroscopy and histology to examine structural changes occurring in the subcutaneous tissue and precisely describe the nature of intralobular changes in chronic lymphedema. Four cutaneous and subcutaneous tissue biopsies from patients with chronic lymphedema during lymphonodal transplantation were studied. We performed US with a 13.5 MHz transducer, TSE T1 and TSE T2 magnetic resonance images with and without fat-suppression, MR Chemical Shift Imaging Spectroscopy and histological evaluation on these biopsies. We found that normal subcutaneous septa are seen as hyperechogenic lines in US and hyposignal lines in MRI and that hyperechogenic subcutis in US can be due to interlobular and intralobular water accumulation and/or to interlobular and intralobular fibrosis. Our study also confirms the usefulness of MR spectroscopy to assess water or fat content of soft tissue. Thus, multiple imaging modalities may be necessary to precisely delineate the nature of tissue alterations in chronic lymphedema.

Analytical Raman spectroscopic study for discriminant analysis of different animal-derived feedstuff: Understanding the high correlation between Raman spectroscopy and lipid characteristics.

PubMed

Gao, Fei; Xu, Lingzhi; Zhang, Yuejing; Yang, Zengling; Han, Lujia; Liu, Xian

2018-02-01

The objectives of the current study were to explore the correlation between Raman spectroscopy and lipid characteristics and to assess the potential of Raman spectroscopic methods for distinguishing the different sources of animal-originated feed based on lipid characteristics. A total of 105 lipid samples derived from five animal species have been analyzed by gas chromatography (GC) and FT-Raman spectroscopy. High correlations (r 2 >0.94) were found between the characteristic peak ratio of the Raman spectra (1654/1748 and 1654/1445) and the degree of unsaturation of the animal lipids. The results of FT-Raman data combined with chemometrics showed that the fishmeal, poultry, porcine and ruminant (bovine and ovine) MBMs could be well separated based on their lipid spectral characteristics. This study demonstrated that FT-Raman spectroscopy can mostly exhibit the lipid structure specificity of different species of animal-originated feed and can be used to discriminate different animal-originated feed samples. Copyright © 2017. Published by Elsevier Ltd.

Photoacoustic spectroscopic studies of polycyclic aromatic hydrocarbons

NASA Astrophysics Data System (ADS)

Zaidi, Zahid H.; Kumar, Pardeep; Garg, R. K.

1999-02-01

Because of their involvement in environmental pollutants, in carcinogenic activity, plastics, pharmaceuticals, synthesis of some laser dyes and presence in interstellar space etc., Polycyclic aromatic hydrocarbons (PAHs) are important. As their structure and properties can be varied systematically, they form a beautiful class of molecules for experimental and quantum chemical investigations. These molecules are being studied for last several years by using conventional spectroscopy. In recent years, Photoacoustic (PA) spectroscopy has emerged as a new non-destructive technique with unique capability and sensitivity. The PA effect is the process of generation of acoustic waves in a sample resulting from the absorption of photons. This technique not only reveals non- radiative transitions but also provides information about forbidden singlet-triplet transitions which are not observed normally by the conventional spectroscopy. The present paper deals with the spectroscopic studies of some PAH molecules by PA spectroscopy in the region 250 - 400 nm. The CNDO/S-CI method is used to calculate the electronic transitions with the optimized geometries. A good agreement is found between the experimental and calculated results.

[L.A. Blumenfeld and study of photosynthesis by spectroscopy methods at Chair of Biophysics, Faculty of Physics, Moscow State University].

PubMed

Kukushkin, A K

2013-01-01

Nowadays spectroscopy methods are widely employed to study photosynthesis. For instance, fluorescence methods are often in use to study virtually all steps of photosynthesis process. Theoretical models of phenomena under study are of importance for interpretation of experimental data. A decisive role of L.A. Blumenfeld, the former head of the Chair of Biophysics, Faculty of Physics, Moscow State University, in the study of photosynthesis process is shown in this work.

The study of synthetic food dyes by positron annihilation lifetime spectroscopy.

NASA Astrophysics Data System (ADS)

Pivtsaev, A. A.; Razov, V. I.

2015-06-01

By method of positron annihilation lifetime spectroscopy (PALS), substances are food dyes were studied: E-102 (Tartrazine), E-124 (Ponso 4R), E 132 (Indigo carmine), E-133 (Brilliant Blue), E-151 (Black Shiny). They are examined for the presence of carcinogenic properties. The difference between dyes having explicit carcinogenic properties and mutagenic properties (non-explicit carcinogens) is established.

Search of massive star formation with COMICS

NASA Astrophysics Data System (ADS)

Okamoto, Yoshiko K.

2004-04-01

Mid-infrared observations is useful for studies of massive star formation. Especially COMICS offers powerful tools: imaging survey of the circumstellar structures of forming massive stars such as massive disks and cavity structures, mass estimate from spectroscopy of fine structure lines, and high dispersion spectroscopy to census gas motion around formed stars. COMICS will open the next generation infrared studies of massive star formation.

Fluorescence Spectroscopy of tRNA[superscript Phe] Y Base in the Presence of Mg[superscript 2+] and Small Molecule Ligands

ERIC Educational Resources Information Center

Kirk, Sarah R.; Silverstein, Todd P.; McFarlane Holman, Karen L.

2008-01-01

This laboratory project is one component of a semester-long advanced biochemistry laboratory course that uses several complementary techniques to study tRNA[superscript Phe] conformational changes induced by ligand binding. In this article we describe a set of experiments in which students use fluorescence spectroscopy to study tRNA[superscript…

Moderate relationships between NAA and cognitive ability in healthy adults: implications for cognitive spectroscopy.

PubMed

Patel, Tulpesh; Blyth, Jacqueline C; Griffiths, Gareth; Kelly, Deirdre; Talcott, Joel B

2014-01-01

Proton Magnetic Resonance Spectroscopy ((1)H-MRS) is a non-invasive imaging technique that enables quantification of neurochemistry in vivo and thereby facilitates investigation of the biochemical underpinnings of human cognitive variability. Studies in the field of cognitive spectroscopy have commonly focused on relationships between measures of N-acetyl aspartate (NAA), a surrogate marker of neuronal health and function, and broad measures of cognitive performance, such as IQ. In this study, we used (1)H-MRS to interrogate single-voxels in occipitoparietal and frontal cortex, in parallel with assessments of psychometric intelligence, in a sample of 40 healthy adult participants. We found correlations between NAA and IQ that were within the range reported in previous studies. However, the magnitude of these effects was significantly modulated by the stringency of data screening and the extent to which outlying values contributed to statistical analyses. (1)H-MRS offers a sensitive tool for assessing neurochemistry non-invasively, yet the relationships between brain metabolites and broad aspects of human behavior such as IQ are subtle. We highlight the need to develop an increasingly rigorous analytical and interpretive framework for collecting and reporting data obtained from cognitive spectroscopy studies of this kind.

Elucidation of intermolecular interaction of bovine serum albumin with Fenhexamid: A biophysical prospect.

PubMed

Shi, Jie-Hua; Lou, Yan-Yue; Zhou, Kai-Li; Pan, Dong-Qi

2018-03-01

Fenhexamid, as a hydroxyanilide, is widely applied to control Botrytis cinerea for protecting crops and fruits. But it could adversely affect human and animals health due to accumulation of residues in food production. Here, the affinity characteristics of fenhexamid on bovine serum albumin (BSA) was studied via a series of spectroscopic methods such as steady-state fluorescence spectroscopy, ultraviolet spectroscopy (UV), synchronous fluorescence spectroscopy (SFS), 3D fluorescence spectroscopy, and fourier transform infrared spectroscopy (FT-IR). The experimental results illustrated that the fluorescence quenching mechanism of BSA induced by fenhexamid was a static quenching. The binding constant (K b ) of fenhexamid with BSA was 2.399 × 10 4  M -1 at 298 K and the combination ratio was about 1:1. The competitive experiment demonstrated that fenhexamid was binding on the BSA at site II (subdomain IIIA), which was confirmed by the molecular docking studies. The negative values of thermodynamic parameter (ΔH 0 , ΔS 0 and ΔG 0 ) revealed that the reaction of fenhexamid with BSA could proceed spontaneously, the van der Waals force and hydrogen bonding interaction conducted the main effect, and the binding process was enthalpy-driven. What's more, the 8-Anilino-1-naphthalenesulfonate (ANS) and sucrose binding studies were also performed and further verified the binding force between BSA and fenhexamid. Copyright © 2018 Elsevier B.V. All rights reserved.

Improved removal of blood contamination from ThinPrep cervical cytology samples for Raman spectroscopic analysis.

PubMed

Traynor, Damien; Duraipandian, Shiyamala; Martin, Cara M; O'Leary, John J; Lyng, Fiona M

2018-05-01

There is an unmet need for methods to help in the early detection of cervical precancer. Optical spectroscopy-based techniques, such as Raman spectroscopy, have shown great potential for diagnosis of different cancers, including cervical cancer. However, relatively few studies have been carried out on liquid-based cytology (LBC) pap test specimens and confounding factors, such as blood contamination, have been identified. Previous work reported a method to remove blood contamination before Raman spectroscopy by pretreatment of the slides with hydrogen peroxide. The aim of the present study was to extend this work to excessively bloody samples to see if these could be rendered suitable for Raman spectroscopy. LBC ThinPrep specimens were treated by adding hydrogen peroxide directly to the vial before slide preparation. Good quality Raman spectra were recorded from negative and high grade (HG) cytology samples with no blood contamination and with heavy blood contamination. Good classification between negative and HG cytology could be achieved for samples with no blood contamination (sensitivity 92%, specificity 93%) and heavy blood contamination (sensitivity 89%, specificity 88%) with poorer classification when samples were combined (sensitivity 82%, specificity 87%). This study demonstrates for the first time the improved potential of Raman spectroscopy for analysis of ThinPrep specimens regardless of blood contamination. (2018) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE).

Applications of Raman spectroscopy in life science

NASA Astrophysics Data System (ADS)

Martin, Airton A.; T. Soto, Cláudio A.; Ali, Syed M.; Neto, Lázaro P. M.; Canevari, Renata A.; Pereira, Liliane; Fávero, Priscila P.

2015-06-01

Raman spectroscopy has been applied to the analysis of biological samples for the last 12 years providing detection of changes occurring at the molecular level during the pathological transformation of the tissue. The potential use of this technology in cancer diagnosis has shown encouraging results for the in vivo, real-time and minimally invasive diagnosis. Confocal Raman technics has also been successfully applied in the analysis of skin aging process providing new insights in this field. In this paper it is presented the latest biomedical applications of Raman spectroscopy in our laboratory. It is shown that Raman spectroscopy (RS) has been used for biochemical and molecular characterization of thyroid tissue by micro-Raman spectroscopy and gene expression analysis. This study aimed to improve the discrimination between different thyroid pathologies by Raman analysis. A total of 35 thyroid tissues samples including normal tissue (n=10), goiter (n=10), papillary (n=10) and follicular carcinomas (n=5) were analyzed. The confocal Raman spectroscopy allowed a maximum discrimination of 91.1% between normal and tumor tissues, 84.8% between benign and malignant pathologies and 84.6% among carcinomas analyzed. It will be also report the application of in vivo confocal Raman spectroscopy as an important sensor for detecting advanced glycation products (AGEs) on human skin.

Preliminary research on monitoring the durability of concrete subjected to sulfate attack with optical fibre Raman spectroscopy

NASA Astrophysics Data System (ADS)

Yue, Yanfei; Bai, Yun; Basheer, P. A. Muhammed; Boland, John J.; Wang, Jing Jing

2013-04-01

Formation of ettringite and gypsum from sulfate attack together with carbonation and chloride ingress have been considered as the most serious deterioration mechanisms of concrete structures. Although Electrical Resistance Sensors and Fibre Optic Chemical Sensors could be used to monitoring the latter two mechanisms in situ, currently there is no system for monitoring the deterioration mechanisms of sulfate attack and hence still needs to be developed. In this paper, a preliminary study was carried out to investigate the feasibility of monitoring the sulfate attack with optical fibre Raman spectroscopy through characterizing the ettringite and gypsum formed in deteriorated cementitious materials under an `optical fibre excitation + spectroscopy objective collection' configuration. Bench-mounted Raman spectroscopy analysis was also used to validate the spectrum obtained from the fibre-objective configuration. The results showed that the expected Raman bands of ettringite and gypsum in the sulfate attacked cement paste have been clearly identified by the optical fibre Raman spectroscopy and are in good agreement with those identified from bench-mounted Raman spectroscopy. Therefore, based on these preliminary results, there is a good potential of developing an optical fibre Raman spectroscopy-based system for monitoring the deterioration mechanisms of concrete subjected to the sulfate attack in the future.

In situ monitoring of cocrystals in formulation development using low-frequency Raman spectroscopy.

PubMed

Otaki, Takashi; Tanabe, Yuta; Kojima, Takashi; Miura, Masaru; Ikeda, Yukihiro; Koide, Tatsuo; Fukami, Toshiro

2018-05-05

In recent years, to guarantee a quality-by-design approach to the development of pharmaceutical products, it is important to identify properties of raw materials and excipients in order to determine critical process parameters and critical quality attributes. Feedback obtained from real-time analyses using various process analytical technology (PAT) tools has been actively investigated. In this study, in situ monitoring using low-frequency (LF) Raman spectroscopy (10-200 cm -1 ), which may have higher discriminative ability among polymorphs than near-infrared spectroscopy and conventional Raman spectroscopy (200-1800 cm -1 ), was investigated as a possible application to PAT. This is because LF-Raman spectroscopy obtains information about intermolecular and/or lattice vibrations in the solid state. The monitoring results obtained from Furosemide/Nicotinamide cocrystal indicate that LF-Raman spectroscopy is applicable to in situ monitoring of suspension and fluidized bed granulation processes, and is an effective technique as a PAT tool to detect the conversion risk of cocrystals. LF-Raman spectroscopy is also used as a PAT tool to monitor reactions, crystallizations, and manufacturing processes of drug substances and products. In addition, a sequence of conversion behaviors of Furosemide/Nicotinamide cocrystals was determined by performing in situ monitoring for the first time. Copyright © 2018 Elsevier B.V. All rights reserved.

RAMAN SPECTROSCOPY-BASED METABOLOMICS FOR DIFFERENTIATING EXPOSURES TO TRIAZOLE FUNGICIDES USING RAT URINE

EPA Science Inventory

Normal Raman spectroscopy was evaluated as a metabolomic tool for assessing the impacts of exposure to environmental contaminants, using rat urine collected during the course of a toxicological study. Specifically, one of three triazole fungicides, myclobutanil, propiconazole or ...

Electron Spectroscopy: Ultraviolet and X-Ray Excitation.

ERIC Educational Resources Information Center

Baker, A. D.; And Others

1980-01-01

Reviews recent growth in electron spectroscopy (54 papers cited). Emphasizes advances in instrumentation and interpretation (52); photoionization, cross-sections and angular distributions (22); studies of atoms and small molecules (35); transition, lanthanide and actinide metal complexes (50); organometallic (12) and inorganic compounds (2);…

[Quality anlysis of the before redrying raw tobacco & after redrying sheet tobacco by using online near infrared spectroscopy].

PubMed

Tang, Zhao-qi; Liu, Ying; Shu, Ru-xin; Yang, Kai; Zhao, Long-lian; Zhang, Lu-da; Zhang Ye-hui; Li, Jun-hui

2014-12-01

In this paper, the 7 different origin before redrying raw tobacco & after redrying sheet tobacco's online near infrared spectroscopy were collected from sorting & redrying production line specifically for "ZHONGHUA" brand. By using the projection model bulit by different origin tobacco's online spectroscopy and the method of variance and correlation analysis, we studied the uniformity and similarity quality characteristics change before and after the redrying of tobacco, which can provide support for understanding the quality of the tobacco material and cigarette product formulations. This study show that selecting about 10,000 by equally spaced sampling time from a huge number of online near infrared spectroscopy, for modeling are feasible, and representative. After manual sorting, threshing, and redrying, the uiformity of each origin tobacco near-infrared spectroscopy can be increased by 10%~35%, homogeneity of the tobacco leaf has been significantly improved. After redrying, the similar relationship embodied in the origin also have significant changes, overall it reduce significantly, that shows the quality differences embodied by origin significantly improve, which can provide greater space for formulations, it shows the need for high-quality Chinese cigarette production requires large amounts of financial and human resources to implement cured tobacco processing. The traditional means of chemical analysis, it takes a lot of time and effort, it is difficult to control the entire processing chain, Near Infrared Spectroscopy with its rapid, non-destructive advantage, not only can achieve real-time detection and quality control, but also can take full advantage of near-infrared spectroscopy information created in the production process, which is a very promising online analytical detection technology in many industries especially in the agricultural and food processing industries.

Study of electrical properties of Sc doped BaFe12O19 ceramic using dielectric, impedance, modulus spectroscopy and AC conductivity

NASA Astrophysics Data System (ADS)

Gupta, Surbhi; Deshpande, S. K.; Sathe, V. G.; Siruguri, V.

2018-04-01

We present dielectric, complex impedance, modulus spectroscopy and AC conductivity studies of the compound BaFe10Sc2O19 as a function of temperature and frequency to understand the conduction mechanism. The variation in complex dielectric constant with frequency and temperature were analyzed on the basis of Maxwell-Wagner-Koop's theory and charge hopping between ferrous and ferric ions. The complex impedance spectroscopy study shows only grain contribution whereas complex modulus plot shows two semicircular arcs which indicate both grain and grain boundary contributions in conduction mechanism. AC conductivity has also been evaluated which follows the Jonscher's law. The activation energy calculated from temperature dependence of DC conductivity comes out to be Ea˜ 0.31eV.

Isotope shifts from collinear laser spectroscopy of doubly charged yttrium isotopes

NASA Astrophysics Data System (ADS)

Vormawah, L. J.; Vilén, M.; Beerwerth, R.; Campbell, P.; Cheal, B.; Dicker, A.; Eronen, T.; Fritzsche, S.; Geldhof, S.; Jokinen, A.; Kelly, S.; Moore, I. D.; Reponen, M.; Rinta-Antila, S.; Stock, S. O.; Voss, A.

2018-04-01

Collinear laser spectroscopy has been performed on doubly charged ions of radioactive yttrium in order to study the isotope shifts of the 294.6-nm 5 s 1/2 2S →5 p 1/2 2P line. The potential of such an alkali-metal-like transition to improve the reliability of atomic-field-shift and mass-shift factor calculations, and hence the extraction of nuclear mean-square radii, is discussed. Production of yttrium ion beams for such studies is available at the IGISOL IV Accelerator Laboratory, Jyväskylä, Finland. This newly recommissioned facility is described here in relation to the on-line study of accelerator-produced short-lived isotopes using collinear laser spectroscopy and application of the technique to doubly charged ions.

PALS, MIR and UV-vis-NIR spectroscopy studies of pHEMA hydrogel, silicon- and fluoro-containing contact lens materials

NASA Astrophysics Data System (ADS)

Filipecka, Katarzyna; Budaj, Mariusz; Chamerski, Kordian; Miedziński, Rafał; Sitarz, Maciej; Miskowiak, Bogdan; Makowska-Janusik, Małgorzata; Filipecki, Jacek

2017-11-01

Studies on polymeric materials used in contactology for manufacturing of contact lenses are presented in the paper. Different types of brand new contact lenses were investigated: hydrogel, silicone-hydrogel and rigid gas permeable. Positron annihilation lifetime spectroscopy (PALS) was used to characterize geometrical sizes and fraction of the free volume holes in the investigated samples. Measurements reveal significant differences between the materials. Namely differences in size and fraction of free volume were observed. These changes are strongly correlated with oxygen permeability in contact lenses. Middle infrared (MIR) spectroscopy was carried out in order to investigate the internal structure of materials. Furthermore, UV-vis-NIR studies were performed in order to determine the transmittance properties of contact lenses.

Oxidation of municipal wastewater by free radicals mechanism. A UV/Vis spectroscopy study.

PubMed

Giannakopoulos, E; Isari, E; Bourikas, K; Karapanagioti, H K; Psarras, G; Oron, G; Kalavrouziotis, I K

2017-06-15

This study investigates the oxidation of municipal wastewater (WW) by complexation with natural polyphenols having radical scavenging activity, such as (3,4,5 tri-hydroxy-benzoic acid) gallic acid (GA) in alkaline pH (>7), under ambient O 2 and temperature. Physicochemical and structural characteristics of GA-WW complex-forming are evaluated by UV/Vis spectroscopy. The comparative analysis among UV/Vis spectra of GA monomer, GA-GA polymer, WW compounds, and GA-WW complex reveals significant differences within 350-450 and 500-900 nm. According to attenuated total reflectance (ATR) spectroscopy and thermogravimetric analysis (TGA), these spectra differences correspond to distinct complexes formed. This study suggests a novel role of natural polyphenols on the degradation and humification of wastes. Copyright © 2016 Elsevier Ltd. All rights reserved.

Structural, optical and photoelectric properties of sprayed CdS thin films

NASA Astrophysics Data System (ADS)

Chandel, Tarun; Dwivedi, Shailendra Kumar; Zaman, M. Burhanuz; Rajaram, P.

2018-05-01

In this study, CdS thin films were grown via a facile spray pyrolysis technique. The crystalline phase, morphological, compositional and optical properties of the CdS thin films have been studied using X-ray diffraction, scanning electron microscopy, energy-dispersive X-ray spectroscopy, and UV-vis absorption spectroscopy, respectively. XRD patterns show that the grown CdS films crystallized in the hexagonal structure. Scanning electron microscopy (SEM) study shows that the surfaces of the films are smooth and are uniformly covered with nanoparticles. EDAX results reveal that the grown films have good stochiometry. UV-vis spectroscopy shows that the grown films have transparency above 80% over the entire visible region. The photo-electric response of the CdS films grown on glass substrates has been observed.

Advancements of two dimensional correlation spectroscopy in protein researches

NASA Astrophysics Data System (ADS)

Tao, Yanchun; Wu, Yuqing; Zhang, Liping

2018-05-01

The developments of two-dimensional correlation spectroscopy (2DCOS) applications in protein studies are discussed, especially for the past two decades. The powerful utilities of 2DCOS combined with various analytical techniques in protein studies are summarized. The emphasis is on the vibration spectroscopic techniques including IR, NIR, Raman and optical activity (ROA), as well as vibration circular dichroism (VCD) and fluorescence spectroscopy. In addition, some new developments, such as hetero-spectral 2DCOS, moving-window correlation, and model based correlation, are also reviewed for their utility in the investigation of the secondary structure, denaturation, folding and unfolding changes of protein. Finally, the new possibility and challenges of 2DCOS in protein research are highlighted as well.

Diamond /111/ studied by electron energy loss spectroscopy in the characteristic loss region

NASA Technical Reports Server (NTRS)

Pepper, S. V.

1982-01-01

Unoccupied surface states on diamond (111) annealed at greater than 900 C are studied by electron energy loss spectroscopy with valence band excitation. A feature found at 2.1 eV loss energy is attributed to an excitation from occupied surface states into unoccupied surface states of energy within the bulk band gap. A surface band gap of approximately 1 eV is estimated. This result supports a previous suggestion for unoccupied band gap states based on core level energy loss spectroscopy. Using the valence band excitation energy loss spectrosocpy, it is also suggested that hydrogen is removed from the as-polished diamond surface by a Menzel-Gomer-Redhead mechanism.

Self-organization of gold nanoparticles on silanated surfaces.

PubMed

Kyaw, Htet H; Al-Harthi, Salim H; Sellai, Azzouz; Dutta, Joydeep

2015-01-01

The self-organization of monolayer gold nanoparticles (AuNPs) on 3-aminopropyltriethoxysilane (APTES)-functionalized glass substrate is reported. The orientation of APTES molecules on glass substrates plays an important role in the interaction between AuNPs and APTES molecules on the glass substrates. Different orientations of APTES affect the self-organization of AuNps on APTES-functionalized glass substrates. The as grown monolayers and films annealed in ultrahigh vacuum and air (600 °C) were studied by water contact angle measurements, atomic force microscopy, X-ray photoelectron spectroscopy, UV-visible spectroscopy and ultraviolet photoelectron spectroscopy. Results of this study are fundamentally important and also can be applied for designing and modelling of surface plasmon resonance based sensor applications.

Activities report in quantum optics

NASA Astrophysics Data System (ADS)

1985-03-01

Soft X-ray radiation from laser plasmas, intense Planck radiation, X-ray spectroscopy with transmission gratings, simulation of laser-produced shock waves, self-similar expansion in vacuum, radiation hydrodynamics, electronic structure of highly compressed matter, and heavy-ion beams for inertial confinement were investigated, and a high power iodine laser was developed. Laser-spectroscopy experiments, as well as a gravitational wave experiments were conducted. The fundamentals of light-matter interaction and nonlinear dynamics were studied. Many-photon ionization of molecules; spectroscopy of shock pairs; interaction of excited molecules with surfaces; IR laser applications; organic photochemistry with UV lasers; theoretical chemistry; and a ClF laser were investigated. Thin layers, and a high-pressure CO2 laser were studied.

Synthesis of Mesoporous Nanocrystalline Zirconia by Surfactant-Assisted Hydrothermal Approach.

PubMed

Nath, Soumav; Biswas, Ashik; Kour, Prachi P; Sarma, Loka S; Sur, Ujjal Kumar; Ankamwar, Balaprasad G

2018-08-01

In this paper, we have reported the chemical synthesis of thermally stable mesoporous nanocrystalline zirconia with high surface area using a surfactant-assisted hydrothermal approach. We have employed different type of surfactants such as CTAB, SDS and Triton X-100 in our synthesis. The synthesized nanocrystalline zirconia multistructures exhibit various morphologies such as rod, mortar-pestle with different particle sizes. We have characterized the zirconia multistructures by X-ray diffraction study, Field emission scanning electron microscopy, Attenuated total refection infrared spectroscopy, UV-Vis spectroscopy and photoluminescence spectroscopy. The thermal stability of as synthesized zirconia multistructures was studied by thermo gravimetric analysis, which shows the high thermal stability of nanocrystalline zirconia around 900 °C temperature.

Capacitance spectroscopy on n-type GaNAs/GaAs embedded quantum structure solar cells

NASA Astrophysics Data System (ADS)

Venter, Danielle; Bollmann, Joachim; Elborg, Martin; Botha, J. R.; Venter, André

2018-04-01

In this study, both deep level transient spectroscopy (DLTS) and admittance spectroscopy (AS) have been used to study the properties of electrically active deep level centers present in GaNAs/GaAs quantum wells (QWs) embedded in p-i-n solar cells. The structures were grown by molecular beam epitaxy (MBE). In particular, the electrical properties of samples with Si (n-type) doping of the QWs were investigated. DLTS revealed four deep level centers in the material, whereas only three were detected by AS. NextNano++ simulation software was used to model the sample band-diagrams to provide reasoning for the origin of the signals produced by both techniques.

The study of esophageal cancer in an early stage by using Raman spectroscopy

NASA Astrophysics Data System (ADS)

Ishigaki, Mika; Taketani, Akinori; Maeda, Yasuhiro; Andriana, Bibin B.; Ishihara, Ryu; Sato, Hidetoshi

2013-02-01

The esophageal cancer is a disease with a high mortality. In order to lead a higher survival rate five years after the cancer's treatment, we inevitably need a method to diagnose the cancer in an early stage and support the therapy. Raman spectroscopy is one of the most powerful techniques for the purpose. In the present study, we apply Raman spectroscopy to obtain ex vivo spectra of normal and early tumor human esophageal sample. The result of principal component analysis indicates that the tumor tissue is associated with a decrease in tryptophan concentration. Furthermore, we can predict the tissue type with 80% accuracy by linear discriminant analysis which model is made by tryptophan bands.

Non-destructive Measurement of Total Carotenoid Content in Processed Tomato Products: Infrared Lock-In Thermography, Near-Infrared Spectroscopy/Chemometrics, and Condensed Phase Laser-Based Photoacoustics—Pilot Study

NASA Astrophysics Data System (ADS)

Bicanic, D.; Streza, M.; Dóka, O.; Valinger, D.; Luterotti, S.; Ajtony, Zs.; Kurtanjek, Z.; Dadarlat, D.

2015-09-01

Carotenes found in a diversity of fruits and vegetables are among important natural antioxidants. In a study described in this paper, the total carotenoid content (TCC) in seven different products derived from thermally processed tomatoes was determined using laser photoacoustic spectroscopy (LPAS), infrared lock-in thermography (IRLIT), and near-infrared spectroscopy (NIRS) combined with chemometrics. Results were verified versus data obtained by traditional VIS spectrophotometry (SP) that served as a reference technique. Unlike SP, the IRLIT, NIRS, and LPAS require a minimum of sample preparation which enables practically direct quantification of the TCC.

Corrosion resistance of flaky aluminum pigment coated with cerium oxides/hydroxides in chloride and acidic electrolytes

NASA Astrophysics Data System (ADS)

Niroumandrad, S.; Rostami, M.; Ramezanzadeh, B.

2015-12-01

The objective of this study was to enhance the corrosion resistance of lamellar aluminum pigment through surface treatment by cerium oxides/hydroxides. The surface composition of the pigments was studied by energy-dispersive spectroscopy (EDS) and X-ray photoelectron spectroscopy (XPS). The corrosion resistance of the pigment was evaluated by conventional hydrogen evolution measurements in acidic solution and electrochemical impedance spectroscopy (EIS) in 3.5% NaCl solution. Results showed that the Ce-rich coating composed of Ce2O3 and CeO2 was precipitated on the pigment surface after immersion in the cerium solution. The corrosion resistance of pigment was significantly enhanced after modification with cerium layer.

Oxygenation level and hemoglobin concentration in experimental tumor estimated by diffuse optical spectroscopy

NASA Astrophysics Data System (ADS)

Orlova, A. G.; Kirillin, M. Yu.; Volovetsky, A. B.; Shilyagina, N. Yu.; Sergeeva, E. A.; Golubiatnikov, G. Yu.; Turchin, I. V.

2017-07-01

Using diffuse optical spectroscopy the level of oxygenation and hemoglobin concentration in experimental tumor in comparison with normal muscle tissue of mice have been studied. Subcutaneously growing SKBR-3 was used as a tumor model. Continuous wave fiber probe diffuse optical spectroscopy system was employed. Optical properties extraction approach was based on diffusion approximation. Decreased blood oxygen saturation level and increased total hemoglobin content were demonstrated in the neoplasm. The main reason of such differences between tumor and norm was significant elevation of deoxyhemoglobin concentration in SKBR-3. The method can be useful for diagnosis of tumors as well as for study of blood flow parameters of tumor models with different angiogenic properties.

Electrode placement in bioimpedance spectroscopy: evaluation of alternative positioning of electrodes when measuring relative dehydration in athletes.

PubMed

Birkemose, M; Møller, A J; Madsen, M L; Brantlov, S; Sørensen, H; Overgaard, K; Johansen, P

2013-01-01

In order to maintain a homeostatic environment in human cells, the balance between absorption and separation of water must be retained. Imbalance will have consequences on both the cellular and organ levels. Studies performed on athletes have shown coherence between their hydration status and ability to perform. A dehydration of 2-7% of total body weight resulted in a marked decrease in performance. Measurement and monitoring of hydration status may be used to optimize athlete performance. Therefore, in this current study bioimpedance spectroscopy is used to determine the hydration status of athletes. Trials were made to investigate alternative ways of electrode placement when performing bioimpedance spectroscopy in order to measure relative dehydration. A total of 14 test subjects underwent measurements before, during, and after a cycle test of 3×25min. Electrodes where placed to measure body impedance in three different ways: wrist-ankle (recommended method), wrist-wrist, and transthoracic. Furthermore, the relative loss in weight of the subjects during the trial was registered. The study showed no relation between relative weight loss and the wrist-wrist and transthoracic placement method, using bioimpedance spectroscopy to measure relative dehydration. The inability of the method to detect such relative changes in hydration may be due to the bioimpedance spectroscopy technology being extremely sensitive to changes in skin temperature, movement artifacts, thoroughness in placing the electrodes, and the physiological impact on the human body when performing exercise. Therefore, further research into the area of bioimpedance spectroscopy is needed before this methodology can be applied in monitoring active athletes. Hence, a simple weight measurement still seems a more useful way of determining a relative change of hydration in an active setting.

HR-MAS MR Spectroscopy of Breast Cancer Tissue Obtained with Core Needle Biopsy: Correlation with Prognostic Factors

PubMed Central

Choi, Ji Soo; Baek, Hyeon-Man; Kim, Suhkmann; Kim, Min Jung; Youk, Ji Hyun; Moon, Hee Jung; Kim, Eun-Kyung; Han, Kyung Hwa; Kim, Dong-hyun; Kim, Seung Il; Koo, Ja Seung

2012-01-01

The purpose of this study was to examine the correlation between high-resolution magic angle spinning (HR-MAS) magnetic resonance (MR) spectroscopy using core needle biopsy (CNB) specimens and histologic prognostic factors currently used in breast cancer patients. After institutional review board approval and informed consent were obtained for this study, CNB specimens were collected from 36 malignant lesions in 34 patients. Concentrations and metabolic ratios of various choline metabolites were estimated by HR-MAS MR spectroscopy using CNB specimens. HR-MAS spectroscopic values were compared according to histopathologic variables [tumor size, lymph node metastasis, histologic grade, status of estrogens receptor (ER), progesterone receptor (PR), HER2 (a receptor for human epidermal growth factor), and Ki-67, and triple negativity]. Multivariate analysis was performed with Orthogonal Projections to Latent Structure-Discriminant Analysis (OPLS-DA). HR-MAS MR spectroscopy quantified and discriminated choline metabolites in all CNB specimens of the 36 breast cancers. Several metabolite markers [free choline (Cho), phosphocholine (PC), creatine (Cr), taurine, myo-inositol, scyllo-inositol, total choline (tCho), glycine, Cho/Cr, tCho/Cr, PC/Cr] on HR-MAS MR spectroscopy were found to correlate with histologic prognostic factors [ER, PR, HER2, histologic grade, triple negativity, Ki-67, poor prognosis]. OPLS-DA multivariate models were generally able to discriminate the status of histologic prognostic factors (ER, PR, HER2, Ki-67) and prognosis groups. Our study suggests that HR-MAS MR spectroscopy using CNB specimens can predict tumor aggressiveness prior to surgery in breast cancer patients. In addition, it may be helpful in the detection of reliable markers for breast cancer characterization. PMID:23272149

Impedance Spectroscopy Study of the Effect of Environmental Conditions on the Microstructure Development of Sustainable Fly Ash Cement Mortars.

PubMed

Ortega, José Marcos; Sánchez, Isidro; Climent, Miguel Ángel

2017-09-25

Today, the characterisation of the microstructure of cement-based materials using non-destructive techniques has become an important topic of study, and among them, the impedance spectroscopy has recently experienced great progress. In this research, mortars with two different contents of fly ash were exposed to four different constant temperature and relative humidity environments during a 180-day period. The evolution of their microstructure was studied using impedance spectroscopy, whose results were contrasted with mercury intrusion porosimetry. The hardening environment has an influence on the microstructure of fly ash cement mortars. On one hand, the impedance resistances R₁ and R₂ are more influenced by the drying of the materials than by microstructure development, so they are not suitable for following the evolution of the porous network under non-optimum conditions. On the other hand, the impedance spectroscopy capacitances C₁ and C₂ allow studying the microstructure development of fly ash cement mortars exposed to those conditions, and their results are in accordance with mercury intrusion porosimetry ones. Finally, it has been observed that the combined analysis of the abovementioned capacitances could be very useful for studying shrinkage processes in cement-based materials kept in low relative humidity environments.

Static and Dynamic Measurement of Dopamine Adsorption in Carbon Fiber Microelectrodes Using Electrochemical Impedance Spectroscopy.

PubMed

Rivera-Serrano, Nilka; Pagan, Miraida; Colón-Rodríguez, Joanisse; Fuster, Christian; Vélez, Román; Almodovar-Faria, Jose; Jiménez-Rivera, Carlos; Cunci, Lisandro

2018-02-06

In this study, electrochemical impedance spectroscopy was used for the first time to study the adsorption of dopamine in carbon fiber microelectrodes. In order to show a proof-of-concept, static and dynamic measurements were taken at potentials ranging from -0.4 to 0.8 V versus Ag|AgCl to demonstrate the versatility of this technique to study dopamine without the need of its oxidation. We used electrochemical impedance spectroscopy and single frequency electrochemical impedance to measure different concentrations of dopamine as low as 1 nM. Moreover, the capacitance of the microelectrodes surface was found to decrease due to dopamine adsorption, which is dependent on its concentration. The effect of dissolved oxygen and electrochemical oxidation of the surface in the detection of dopamine was also studied. Nonoxidized and oxidized carbon fiber microelectrodes were prepared and characterized by optical microscopy, scanning electron microscopy, cyclic voltammetry, and electrochemical impedance spectroscopy. Optimum working parameters of the electrodes, such as frequency and voltage, were obtained for better measurement. Electrochemical impedance of dopamine was determined at different concentration, voltages, and frequencies. Finally, dynamic experiments were conducted using a flow cell and single frequency impedance in order to study continuous and real-time measurements of dopamine.

Vibrational spectroscopy in the electron microscope.

PubMed

Krivanek, Ondrej L; Lovejoy, Tracy C; Dellby, Niklas; Aoki, Toshihiro; Carpenter, R W; Rez, Peter; Soignard, Emmanuel; Zhu, Jiangtao; Batson, Philip E; Lagos, Maureen J; Egerton, Ray F; Crozier, Peter A

2014-10-09

Vibrational spectroscopies using infrared radiation, Raman scattering, neutrons, low-energy electrons and inelastic electron tunnelling are powerful techniques that can analyse bonding arrangements, identify chemical compounds and probe many other important properties of materials. The spatial resolution of these spectroscopies is typically one micrometre or more, although it can reach a few tens of nanometres or even a few ångströms when enhanced by the presence of a sharp metallic tip. If vibrational spectroscopy could be combined with the spatial resolution and flexibility of the transmission electron microscope, it would open up the study of vibrational modes in many different types of nanostructures. Unfortunately, the energy resolution of electron energy loss spectroscopy performed in the electron microscope has until now been too poor to allow such a combination. Recent developments that have improved the attainable energy resolution of electron energy loss spectroscopy in a scanning transmission electron microscope to around ten millielectronvolts now allow vibrational spectroscopy to be carried out in the electron microscope. Here we describe the innovations responsible for the progress, and present examples of applications in inorganic and organic materials, including the detection of hydrogen. We also demonstrate that the vibrational signal has both high- and low-spatial-resolution components, that the first component can be used to map vibrational features at nanometre-level resolution, and that the second component can be used for analysis carried out with the beam positioned just outside the sample--that is, for 'aloof' spectroscopy that largely avoids radiation damage.

Application of the Pulsed Photoacoustic Spectroscopy in Biomedicine

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

Gutierrez-Juarez, G.; Sims, M. J.; Gupta, S. K.

2008-08-11

The use of optical spectroscopy as a diagnostic tool in biomedical applications and research has grown considerably in the last two decades. One of them is the pulsed photoacoustic or optoacoustic, which promises to be one of the most important tools for disease diagnostic studies, because while most spectroscopies exploit the optical nature of the light-tissue interaction, this field of photoacoustics uses optical energy to generate an acoustic wave which propagates in the tissue environment. The acoustic wave propagation is fundamentally related to various tissue properties and an analysis of the wave dynamics can provide insights into these properties. Thismore » work presents a review on pulsed photoacoustic spectroscopy of several photoacoustic methods to derive information about tissue and tissue phantoms.« less

Depth elemental characterization of 1D self-aligned TiO2 nanotubes using calibrated radio frequency glow discharge optical emission spectroscopy (GDOES)

NASA Astrophysics Data System (ADS)

Mohajernia, Shiva; Mazare, Anca; Hwang, Imgon; Gaiaschi, Sofia; Chapon, Patrick; Hildebrand, Helga; Schmuki, Patrik

2018-06-01

In this work we study the depth composition of anodic TiO2 nanotube layers. We use elemental depth profiling with Glow Discharge Optical Emission Spectroscopy and calibrate the results of this technique with X-ray photoelectron spectroscopy (XPS) and energy dispersive spectroscopy (EDS). We establish optimized sputtering conditions for nanotubular structures using the pulsed RF mode, which causes minimized structural damage during the depth profiling of the nanotubular structures. This allows to obtain calibrated sputter rates that account for the nanotubular "porous" morphology. Most importantly, sputter-artifact free compositional profiles of these high aspect ratio 3D structures are obtained, as well as, in combination with SEM, elegant depth sectional imaging.

Material quality frontiers of MOVPE grown AlGaAs for minority carrier devices

NASA Astrophysics Data System (ADS)

Heckelmann, S.; Lackner, D.; Dimroth, F.; Bett, A. W.

2017-04-01

In this study, secondary ion mass spectroscopy of oxygen, deep level transient spectroscopy and power dependent relative photoluminescence are compared regarding their ability to resolve differences in AlxGa1-xAs material quality. AlxGa1-xAs samples grown with two different trimethylaluminum sources showing low and high levels of oxygen contamination are compared. As tested in the growth of minority carrier devices, i.e. AlxGa1-xAs solar cells, the two precursors clearly lead to different device characteristics. It is shown that secondary ion mass spectroscopy could not resolve the difference in oxygen concentration, whereas deep level transient spectroscopy and photoluminescence based measurements indicate the influence of the precursor oxygen level on the material quality.

Validating in vivo Raman spectroscopy of bone in human subjects

NASA Astrophysics Data System (ADS)

Esmonde-White, Francis W. L.; Morris, Michael D.

2013-03-01

Raman spectroscopy can non-destructively measure properties of bone related to mineral density, mineral composition, and collagen composition. Bone properties can be measured through the skin in animal and human subjects, but correlations between the transcutaneous and exposed bone measurements have only been reported for human cadavers. In this study, we examine human subjects to collect measurements transcutaneously, on surgically exposed bone, and on recovered bone fragments. This data will be used to demonstrate in vivo feasibility and to compare transcutaneous and exposed Raman spectroscopy of bone. A commercially available Raman spectrograph and optical probe operating at 785 nm excitation are used for the in vivo measurements. Requirements for applying Raman spectroscopy during a surgery are also discussed.

Spectroscopic database

NASA Technical Reports Server (NTRS)

Husson, N.; Barbe, A.; Brown, L. R.; Carli, B.; Goldman, A.; Pickett, H. M.; Roche, A. E.; Rothman, L. S.; Smith, M. A. H.

1985-01-01

Several aspects of quantitative atmospheric spectroscopy are considered, using a classification of the molecules according to the gas amounts in the stratosphere and upper troposphere, and reviews of quantitative atmospheric high-resolution spectroscopic measurements and field measurements systems are given. Laboratory spectroscopy and spectral analysis and prediction are presented with a summary of current laboratory spectroscopy capabilities. Spectroscopic data requirements for accurate derivation of atmospheric composition are discussed, where examples are given for space-based remote sensing experiments of the atmosphere: the ATMOS (Atmospheric Trace Molecule) and UARS (Upper Atmosphere Research Satellite) experiment. A review of the basic parameters involved in the data compilations; a summary of information on line parameter compilations already in existence; and a summary of current laboratory spectroscopy studies are used to assess the data base.

Far Infrared spectroscopy of proteinogenic and other less common amino acids

NASA Astrophysics Data System (ADS)

Iglesias-Groth, S.; Cataldo, F.

2018-05-01

Far infrared spectroscopy is a powerful tool complementing the potential of mid infrared spectroscopy for the search and identification of organic molecules in space. The far infrared spectra of a total of 29 amino acids are reported in this study. In addition to the spectra of 20 common proteinogenic amino acids, spectra of a selection of 9 non-proteinogenic amino acids are also reported, including the 2-aminoisobutyric acid or α-aminoisobutyric acid which, with glycine, it is one of the most abundant amino acids found in meteorites. The present database of 29 far infrared spectra may serve as reference in the search for amino acids in space environments, given the new apportunities that JWST offers for mid and far IR spectroscopy.

Longitudinal evaluation of patients with oral potentially malignant disorders using optical imaging and spectroscopy

NASA Astrophysics Data System (ADS)

Schwarz, Richard A.; Pierce, Mark C.; Mondrik, Sharon; Gao, Wen; Quinn, Mary K.; Bhattar, Vijayashree; Williams, Michelle D.; Vigneswaran, Nadarajah; Gillenwater, Ann M.; Richards-Kortum, Rebecca

2012-02-01

Dysplastic and cancerous alterations in oral tissue can be detected noninvasively in vivo using optical techniques including autofluorescence imaging, high-resolution imaging, and spectroscopy. Interim results are presented from a longitudinal study in which optical imaging and spectroscopy were used to evaluate the progression of lesions over time in patients at high risk for development of oral cancer. Over 100 patients with oral potentially malignant disorders have been enrolled in the study to date. Areas of concern in the oral cavity are measured using widefield autofluorescence imaging and depth-sensitive optical spectroscopy during successive clinical visits. Autofluorescence intensity patterns and autofluorescence spectra are tracked over time and correlated with clinical observations. Patients whose lesions progress and who undergo surgery are also measured in the operating room immediately prior to surgery using autofluorescence imaging and spectroscopy, with the addition of intraoperative high-resolution imaging to characterize nuclear size, nuclear crowding, and tissue architecture at selected sites. Optical measurements are compared to histopathology results from biopsies and surgical specimens collected from the measured sites. Autofluorescence imaging and spectroscopy measurements are continued during post-surgery followup visits. We examined correlations between clinical impression and optical classification over time with an average followup period of 4 months. The data collected to date suggest that multimodal optical techniques may aid in noninvasive monitoring of the progression of oral premalignant lesions, biopsy site selection, and accurate delineation of lesion extent during surgery.

Effects of surface preparation on quality of aluminum alloy weldments

NASA Technical Reports Server (NTRS)

Kizer, D.; Saperstein, Z.

1968-01-01

Study of surface preparations and surface contamination effects on the welding of 2014 aluminum involves several methods of surface analysis to identify surface properties conducive to weld defects. These methods are radioactive evaporation, spectral reflectance mass spectroscopy, gas chromatography and spark emission spectroscopy.

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

Wojciech, Blachucki

This work treats of the high energy resolution off-resonant X-ray spectroscopy (HEROS) method of determining the density of unoccupied electronic states in the vicinity of the absorption edge. HEROS is an alternative to the existing X-ray absorption spectroscopy (XAS) methods and opens the way for new studies not achievable before.

Structure-property study of the Raman spectroscopy detection of fusaric acid and analogs

USDA-ARS?s Scientific Manuscript database

Food security can benefit from the development of selective methods to detect toxins. Fusaric acid is a mycotoxin produced by certain fungi occasionally found in agricultural commodities. Raman spectroscopy allows selective detection of analytes associated with certain spectral characteristics relat...

An Advanced Undergraduate Chemistry Laboratory Experiment Exploring NIR Spectroscopy and Chemometrics

ERIC Educational Resources Information Center

Wanke, Randall; Stauffer, Jennifer

2007-01-01

An advanced undergraduate chemistry laboratory experiment to study the advantages and hazards of the coupling of NIR spectroscopy and chemometrics is described. The combination is commonly used for analysis and process control of various ingredients used in agriculture, petroleum and food products.

Terahertz time-domain spectroscopy of submonolayer water adsorption in hydrophilic silica aerogel.

PubMed

Zhang, Jiangquan; Grischkowsky, Daniel

2004-05-01

We report a terahertz time-domain spectroscopy study of the adsorption of water in hydrophilic silica aerogel. The adsorbed water is in submonolayer form and shows properties of index of refraction similar to those of bulk water but different absorption properties.

Mobile humic acids and recalcitrant calcium humate in eight US soils

USDA-ARS?s Scientific Manuscript database

Both excitation-emission matrix (EEM) fluorescence spectroscopy and solid state C-13 nuclear magnetic resonance (NMR) spectroscopy have been applied for studying soil organic matter (SOM), but rarely have both techniques been employed together. We analyzed the fluorescence features of water extracta...

Effects of high hydrostatic pressure on the structure and potential allergenicity of the major allergen bovine β-lactoglobulin.

PubMed

Meng, Xuanyi; Bai, Yuxin; Gao, Jinyan; Li, Xin; Chen, Hongbing

2017-03-15

Bovine β-lactoglobulin (β-Lg) is recognized as a significant milk allergen in several countries. In this study, β-Lg was isolated and treated with high hydrostatic pressure (HHP) at 100, 200, 300, 400, and 500MPa. The allergenic properties of the HHP-treated β-Lg were characterized by indirect competitive enzyme-linked immunosorbent assay with anti-β-Lg rabbit antibody and the sera of patients allergic to cows' milk. The conformation of the HHP-treated β-Lg was examined with ultraviolet absorption spectroscopy, endogenous fluorescence spectroscopy, exogenous fluorescence spectroscopy, and circular dichroism spectroscopy analyses. The results indicated that IgG binding increased with treatment pressure, and IgE binding was lowest at 200MPa and highest at 400MPa. The tertiary structure of β-Lg changed significantly after HHP, whereas the primary and secondary structures remained stable. Overall, this study suggests that the conformational changes in HHP-treated β-Lg contribute to its altered allergenicity. Copyright © 2016 Elsevier Ltd. All rights reserved.

X-ray absorption spectroscopy using a self-seeded soft X-ray free-electron laser

DOE PAGES

Kroll, Thomas; Kern, Jan; Kubin, Markus; ...

2016-09-19

X-ray free electron lasers (XFELs) enable unprecedented new ways to study the electronic structure and dynamics of transition metal systems. L-edge absorption spectroscopy is a powerful technique for such studies and the feasibility of this method at XFELs for solutions and solids has been demonstrated. But, the required x-ray bandwidth is an order of magnitude narrower than that of self-amplified spontaneous emission (SASE), and additional monochromatization is needed. We compare L-edge x-ray absorption spectroscopy (XAS) of a prototypical transition metal system based on monochromatizing the SASE radiation of the linac coherent light source (LCLS) with a new technique based onmore » self-seeding of LCLS. We demonstrate how L-edge XAS can be performed using the self-seeding scheme without the need of an additional beam line monochromator. Lastly, we show how the spectral shape and pulse energy depend on the undulator setup and how this affects the x-ray spectroscopy measurements.« less

A Complex Approach to Noninvasive Estimation of Microcirculatory Tissue Impairments in Feet of Patients with Diabetes Mellitus using Spectroscopy

NASA Astrophysics Data System (ADS)

Potapova, E. V.; Dremin, V. V.; Zherebtsov, E. A.; Makovik, I. N.; Zharkikh, E. V.; Dunaev, A. V.; Pilipenko, O. V.; Sidorov, V. V.; Krupatkin, A. I.

2017-12-01

The possibility of a complex approach for studying changes in the system of blood microcirculation and metabolic processes in the biotissue of lower extremities using optical noninvasive methods of laser doppler flowmetry (LDF), fluorescence spectroscopy, and diffuse reflectance spectroscopy in combination with different modes of heating tests has been assessed. Seventy-six patients with type 2 diabetes mellitus, with 14 patients having visible trophic foot impairments, and 48 healthy volunteers have been examined. The parameters of LDF signals and spectra of fluorescence intensity and diffuse reflectance for foot skin have been analyzed. Statistically significant differences in the recorded parameters between the groups under study have been found. It has been concluded that combined application of noninvasive methods of spectroscopy could be used for diagnostics of complications both upon the occurrence of preliminary symptoms of diabetes, when pathological changes are still reversible, and in the presence of impairments to prevent aggravation of the disease and select an adequate correction of the treatment.

A Raman spectroscopic study of thermally treated glushinskite--the natural magnesium oxalate dihydrate.

PubMed

Frost, Ray L; Adebajo, Moses; Weier, Matt L

2004-02-01

Raman spectroscopy has been used to study the thermal transformations of natural magnesium oxalate dihydrate known in mineralogy as glushinskite. The data obtained by Raman spectroscopy was supplemented with that of infrared emission spectroscopy. The vibrational spectroscopic data was complimented with high resolution thermogravimetric analysis combined with evolved gas mass spectrometry. TG-MS identified two mass loss steps at 146 and 397 degrees C. In the first mass loss step water is evolved only, in the second step carbon dioxide is evolved. The combination of Raman microscopy and a thermal stage clearly identifies the changes in the molecular structure with thermal treatment. Glushinskite is the dihydrate phase in the temperature range up to the pre-dehydration temperature of 146 degrees C. Above 397 degrees C, magnesium oxide is formed. Infrared emission spectroscopy shows that this mineral decomposes at around 400 degrees C. Changes in the position and intensity of the CO and CC stretching vibrations in the Raman spectra indicate the temperature range at which these phase changes occur.

Synthesis of ZnO nanopencils using wet chemical method and its investigation as LPG sensor

NASA Astrophysics Data System (ADS)

Shimpi, Navinchandra G.; Jain, Shilpa; Karmakar, Narayan; Shah, Akshara; Kothari, D. C.; Mishra, Satyendra

2016-12-01

ZnO nanopencils (NPCs) were prepared by a novel wet chemical process, using triethanolamine (TEA) as a mild base, which is relatively simple and cost effective method as compared to hydrothermal method. ZnO NPCs were characterized using powder X-ray diffraction (XRD), Fourier Transform Infra-Red (FTIR) spectroscopy in mid-IR and far-IR regions, X-ray Photoelectron Spectroscopy (XPS), UV-vis (UV-vis) absorption spectroscopy, room temperature Photoluminescence (PL) spectroscopy and Field Emission Scanning Electron Microscopy (FESEM). ZnO NPCs obtained, were highly pure, uniform and monodispersed.XRD pattern indicated hexagonal unit cell structure with preferred orientation along the c-axis. Sensing behaviour of ZnO NPCs was studied towards Liquefied Petroleum Gas (LPG) at different operating temperatures. The study shows that ZnO NPCs were most sensitive and promising candidate for detection of LPG at 250 °C with gas sensitivity > 60%. The high response towards LPG is due to high surface area of ZnO NPCs and their parallel alignment.

In Vivo Fluorescence Correlation and Cross-Correlation Spectroscopy

NASA Astrophysics Data System (ADS)

Mütze, Jörg; Ohrt, Thomas; Petrášek, Zdeněk; Schwille, Petra

In this manuscript, we describe the application of Fluorescence Correlation Spectroscopy (FCS), Fluorescence Cross-Correlation Spectroscopy (FCCS), and scanning FCS (sFCS) to two in vivo systems. In the first part, we describe the application of two-photon standard and scanning FCS in Caenorhabditis elegans embryos. The differentiation of a single fertilized egg into a complex organism in C. elegans is regulated by a number of protein-dependent processes. The oocyte divides asymmetrically into two daughter cells of different developmental fate. Two of the involved proteins, PAR-2 and NMY-2, are studied. The second investigated system is the mechanism of RNA interference in human cells. An EGFP based cell line that allows to study the dynamics and localization of the RNA-induced silencing complex (RISC) with FCS in vivo is created, which has so far been inaccessible with other experimental methods. Furthermore, Fluorescence Cross-Correlation Spectroscopy is employed to highlight the asymmetric incorporation of labeled siRNAs into RISC.

Comparison study on biosynthesis of silver nanoparticles using fresh and hot air oven dried IMPERATA CYLINDRICA leaf

NASA Astrophysics Data System (ADS)

Najmi Bonnia, Noor; Fairuzi, Afiza Ahmad; Akhir, Rabiatuladawiyah Md.; Yahya, Sabrina M.; Rani, Mohd Azri Ab; Ratim, Suzana; Rahman, Norafifah A.; Akil, Hazizan Md

2018-01-01

The perennial rhizomatous grass; Imperata cylindrica (I. cylindrica) has been reported rich in various phytochemicals. In present study, silver nanoparticles were synthesized from aqueous leaf extract of I. cylindrica at two different leaf conditions; fresh leaves and hot-air oven dried leaves. Biosynthesized silver nanoparticles were characterized by UV-visible spectroscopy, field emission scanning electron microscopy (FESEM) and Fourier transform infrared spectroscopy (FTIR). Maximum absorption was recorded between 400 nm to 500 nm. FESEM analysis revealed that the silver nanoparticles predominantly form spherical shapes. The particles sizes were ranging from 22-37 nm. The elemental composition of the synthesized silver nanoparticles was confirmed by using energy dispersive X-ray spectroscopy (EDX) analysis. Fourier transform infrared spectroscopy (FTIR) confirmed the reducing and stabilizing actions came from biomolecules associated with I. cylindrica leaf extract. Thus in this investigation, an environmentally safe method to synthesized silver nanoparticles using local plant extract was successfully established.

Pathways of energy transfer in LHCII revealed by room-temperature 2D electronic spectroscopy.

PubMed

Wells, Kym L; Lambrev, Petar H; Zhang, Zhengyang; Garab, Gyözö; Tan, Howe-Siang

2014-06-21

We present here the first room-temperature 2D electronic spectroscopy study of energy transfer in the plant light-harvesting complex II, LHCII. Two-dimensional electronic spectroscopy has been used to study energy transfer dynamics in LHCII trimers from the chlorophyll b Qy band to the chlorophyll a Qy band. Observing cross-peak regions corresponding to couplings between different excitonic states reveals partially resolved fine structure at the exciton level that cannot be isolated by pump-probe or linear spectroscopy measurements alone. Global analysis of the data has been performed to identify the pathways and time constants of energy transfer. The measured waiting time (Tw) dependent 2D spectra are found to be composed of 2D decay-associated spectra with three timescales (0.3 ps, 2.3 ps and >20 ps). Direct and multistep cascading pathways from the high-energy chlorophyll b states to the lowest-energy chlorophyll a states have been resolved occurring on time scales of hundreds of femtoseconds to picoseconds.

X-ray absorption spectroscopy using a self-seeded soft X-ray free-electron laser

PubMed Central

Kroll, Thomas; Kern, Jan; Kubin, Markus; Ratner, Daniel; Gul, Sheraz; Fuller, Franklin D.; Löchel, Heike; Krzywinski, Jacek; Lutman, Alberto; Ding, Yuantao; Dakovski, Georgi L.; Moeller, Stefan; Turner, Joshua J.; Alonso-Mori, Roberto; Nordlund, Dennis L.; Rehanek, Jens; Weniger, Christian; Firsov, Alexander; Brzhezinskaya, Maria; Chatterjee, Ruchira; Lassalle-Kaiser, Benedikt; Sierra, Raymond G.; Laksmono, Hartawan; Hill, Ethan; Borovik, Andrew; Erko, Alexei; Föhlisch, Alexander; Mitzner, Rolf; Yachandra, Vittal K.; Yano, Junko; Wernet, Philippe; Bergmann, Uwe

2016-01-01

X-ray free electron lasers (XFELs) enable unprecedented new ways to study the electronic structure and dynamics of transition metal systems. L-edge absorption spectroscopy is a powerful technique for such studies and the feasibility of this method at XFELs for solutions and solids has been demonstrated. However, the required x-ray bandwidth is an order of magnitude narrower than that of self-amplified spontaneous emission (SASE), and additional monochromatization is needed. Here we compare L-edge x-ray absorption spectroscopy (XAS) of a prototypical transition metal system based on monochromatizing the SASE radiation of the linac coherent light source (LCLS) with a new technique based on self-seeding of LCLS. We demonstrate how L-edge XAS can be performed using the self-seeding scheme without the need of an additional beam line monochromator. We show how the spectral shape and pulse energy depend on the undulator setup and how this affects the x-ray spectroscopy measurements. PMID:27828320

Extended x-ray absorption fine structure spectroscopy and x-ray absorption near edge spectroscopy study of aliovalent doped ceria to correlate local structural changes with oxygen vacancies clustering

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

Shirbhate, S. C.; Acharya, S. A., E-mail: saha275@yahoo.com; Yadav, A. K.

2016-04-04

This study provides atomic scale insight to understand the role of aliovalent dopants on oxygen vacancies clustering and dissociation mechanism in ceria system in order to enhance the performance of oxy-ion conductor. Dopants induced microscale changes in ceria are probed by extended X-ray absorption fine structure spectroscopy, X-ray absorption near edge spectra, and Raman spectroscopy. The results are explored to establish a correlation between atomic level structural changes (coordination number, interatomic spacing) → formation of dimer and trimer type cation-oxygen vacancies defect complex (intrinsic and extrinsic) → dissociation of oxygen vacancies from defect cluster → ionic conductivity temperature. It ismore » a strategic approach to understand key physics of ionic conductivity mechanism in order to reduce operating temperature of electrolytes for intermediate temperature (300–450 °C) electrochemical devices for the first time.« less

Elemental content of enamel and dentin after bleaching of teeth (a comparative study between laser-induced breakdown spectroscopy and x-ray photoelectron spectroscopy)

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

Imam, H.; Ahmed, Doaa; Eldakrouri, Ashraf

2013-06-21

The elemental content of the superficial and inner enamel as well as that of dentin was analyzed using laser-induced breakdown spectroscopy (LIBS) and x-ray photoelectron spectroscopy (XPS) of bleached and unbleached tooth specimens. It is thus clear from the spectral analysis using both the LIBS and XPS technique that elemental changes (though insignificant within the scopes of this study) of variable intensities do occur on the surface of the enamel and extend deeper to reach dentin. The results of the LIBS revealed a slight reduction in the calcium levels in the bleached compared to the control specimens in all themore » different bleaching groups and in both enamel and dentin. The good correlation found between the LIBS and XPS results demonstrates the possibility of LIBS technique for detection of minor loss in calcium and phosphorus in enamel and dentin.« less

Study of complex molecular systems by probe vibrational spectroscopy method

NASA Astrophysics Data System (ADS)

Boldeskul, A. E.; Zatsepin, V. M.; Atakhodjaev, A. K.; Shermatov, A. N.; Ashburiev, R.

1984-03-01

Experimental study of benzonitril as a probe in aqueous solution of sodium lauril sulphate /SDS/ by Raman spectroscopy technique showed integral moments of √ /C X N/ line to be extremely sensitive to the structural transitions in micellar systems. The central part of the experimental contour was used to determine integral moments with the help of line shape approximant received by Mori method

A preliminary study of preservative retention and penetration in ACQ-treated timbers using near infrared spectroscopy

Treesearch

Chi-Leung So; Thomas L. Eberhardt; Stan T. Lebow; Leslie H. Groom

2006-01-01

Near infrared (NIR) spectroscopy has been previously used in our laboratory to predict copper, chromium, and arsenic levels in samples of chromated copper arsenate (CCA)-treated wood. In the present study, we utilized our custom-made NIR scanning system, NIRVANA (near infrared visual and automated numerical analysis), to scan cross sections of ACQ (alkaline copper quat...

Lower "N"-Acetyl-Aspartate Levels in Prefrontal Cortices in Pediatric Bipolar Disorder: A (Superscript 1]H Magnetic Resonance Spectroscopy Study

ERIC Educational Resources Information Center

Caetano, Sheila C.; Olvera, Rene L.; Hatch, John P.; Sanches, Marsal; Chen, Hua Hsuan; Nicoletti, Mark; Stanley, Jeffrey A.; Fonseca, Manoela; Hunter, Kristina; Lafer, Beny; Pliszka, Steven R.; Soares, Jair C.

2011-01-01

Objective: The few studies applying single-voxel [superscript 1]H spectroscopy in children and adolescents with bipolar disorder (BD) have reported low "N"-acetyl-aspartate (NAA) levels in the dorsolateral prefrontal cortex (DLPFC), and high myo-inositol/phosphocreatine plus creatine (PCr+Cr) ratios in the anterior cingulate. The aim of this study…

A Classical Test Theory Analysis of the Light and Spectroscopy Concept Inventory National Study Data Set

ERIC Educational Resources Information Center

Schlingman, Wayne M.; Prather, Edward E.; Wallace, Colin S.; Brissenden, Gina; Rudolph, Alexander L.

2012-01-01

This paper is the first in a series of investigations into the data from the recent national study using the Light and Spectroscopy Concept Inventory (LSCI). In this paper, we use classical test theory to form a framework of results that will be used to evaluate individual item difficulties, item discriminations, and the overall reliability of the…

Properties of the carbon-palladium nanocomposites studied by Raman spectroscopy method

NASA Astrophysics Data System (ADS)

Belka, Radosław; Suchańska, Małgorzata

2013-10-01

In this paper, the results for thin carbon-palladium (C-Pd) nanocomposites obtained by PVD (Physical Vapour Deposition) and PVD/CVD (Chemical Vapour Deposition) method, carried out using Raman spectroscopy method are presented. Studies reveal the dominance of fullerene-like structure for PVD samples and graphite-like structures for CVD samples. The type of substrate and metal content have great impact on spectra shapes.

The study of electrical conductivity of DNA molecules by scanning tunneling spectroscopy

NASA Astrophysics Data System (ADS)

Sharipov, T. I.; Bakhtizin, R. Z.

2017-10-01

An interest to the processes of charge transport in DNA molecules is very high, due to perspective of their using in nanoelectronics. The original sample preparation for studying electrical conductivity of DNA molecules by scanning tunneling spectroscopy has been proposed and tested. The DNA molecules immobilized on gold surface have been imaged clearly and their current-voltage curves have been measured.

Tunable far infrared studies of molecular parameters in support of stratospheric measurements

NASA Technical Reports Server (NTRS)

Chance, Kelly V.; Evenson, K. M.; Park, K.; Radostitz, J. V.; Jennings, D. A.; Nolt, I. G.; Vanek, M. D.

1991-01-01

Lab studies were made in support of far infrared spectroscopy of the stratosphere using the Tunable Far InfraRed (TuFIR) method of ultrahigh resolution spectroscopy and, more recently, spectroscopic and retrieval calculations performed in support of satellite-based atmospheric measurement programs: the Global Ozone Monitoring Experiment (GOME), and the SCanning Imaging Absorption spectroMeter for Atmospheric CHartographY (SCIAMACHY).

Thermally induced conformational changes in polyethylene studied by two-dimensional near-infrared infrared hetero-spectral correlation spectroscopy

NASA Astrophysics Data System (ADS)

Watanabe, Shin; Noda, Isao; Ozaki, Yukihiro

2008-07-01

The amount of nonplanar gauche bonds was monitored as a function of increasing temperature in three different polyethylene (PE) samples by means of mid-infrared (MIR) and near-infrared (NIR) spectroscopy. The hetero-spectral two-dimensional (2D) correlation analysis was carried out between the NIR spectral region of 4365-4235 cm -1 and the well-established MIR spectral region of 1375-1265 cm -1, where bands due to nonplanar conformer are detected. This approach allowed us to identify the NIR band at 4265 cm -1, which behaves in a way similar to MIR bands originating from conformational-defect sequences. By combining the result of our current study and that of our previous report obtained on different types of PE, it is suggested that the NIR band originates from conformational-defect sequences in PE. This finding opens up a unique and useful way to study the state of conformational disorder in PE crystal by NIR spectroscopy, monitoring the intensity of the NIR band at 4265 cm -1. The use of NIR spectroscopy allows researchers to directly probe the degree in the formation of conformational-defect sequences in thick, real-world PE samples that cannot be studied by conventional MIR spectroscopy. The 2D correlation spectroscopy analysis among the MIR CH 2 wagging conformational-defect-mode bands on linear low-density PE (LLDPE) and low-density PE (LDPE) revealed the formation of nonplanar conformer represented by the band at 1368 cm -1 proceeds prior to those by other band at 1308 cm -1. This result agrees well with our previous finding on high-density PE (HDPE). We therefore propose with strong confidence that the bands at 1368 and 1308 cm -1 arise from different conformational-defect sequences, even though both of the bands have been proposed to arise from the same conformer of gtg' ( kink) + gtg sequence.

Surface molecular imprinting onto fluorescein-coated magnetic nanoparticlesvia reversible addition fragmentation chain transfer polymerization: A facile three-in-one system for recognition and separation of endocrine disrupting chemicals

NASA Astrophysics Data System (ADS)

Li, Ying; Dong, Cunku; Chu, Jia; Qi, Jingyao; Li, Xin

2011-01-01

In this study, we present a general protocol for the making of surface-imprinted magnetic fluorescence beads viareversible addition-fragmentation chain transfer polymerization. The resulting composites were characterized by X-ray diffraction analysis, transmission electron microscopy, scanning electron microscopy, fluorescence spectroscopy, Fourier transform infrared spectroscopy, and energy dispersive spectroscopy. The as-synthesized beads exhibited homogeneous polymer films (thickness of about 5.7 nm), spherical shape, high fluorescence intensity and magnetic property (Magnetization (Ms) = 3.67 emu g-1). The hybrids bind the original template 17β-estradiol with an appreciable selectivity over structurally related compounds. In addition, the resulting hybrids performed without obvious deterioration after five repeated cycles. This study therefore demonstrates the potential of molecularly imprinted polymers for the recognition and separation of endocrine disrupting chemicals.In this study, we present a general protocol for the making of surface-imprinted magnetic fluorescence beads viareversible addition-fragmentation chain transfer polymerization. The resulting composites were characterized by X-ray diffraction analysis, transmission electron microscopy, scanning electron microscopy, fluorescence spectroscopy, Fourier transform infrared spectroscopy, and energy dispersive spectroscopy. The as-synthesized beads exhibited homogeneous polymer films (thickness of about 5.7 nm), spherical shape, high fluorescence intensity and magnetic property (Magnetization (Ms) = 3.67 emu g-1). The hybrids bind the original template 17β-estradiol with an appreciable selectivity over structurally related compounds. In addition, the resulting hybrids performed without obvious deterioration after five repeated cycles. This study therefore demonstrates the potential of molecularly imprinted polymers for the recognition and separation of endocrine disrupting chemicals. Electronic supplementary information (ESI) available: Supplementary figure S1. The hysteresis loop of Fe3O4 (a), Fe3O4@SiO2 (b), and Fe3O4@SiO2-Dye-SiO2 (c). See DOI: 10.1039/c0nr00614a

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

Padmaja, S.; Jayakumar, S., E-mail: s_jayakumar_99@yahoo.com; Balaji, R.

Cadmium Sulphide (CdS) nanoparticles were reinforced in Poly(ethylene Oxide) (PEO) and Poly(methyl methacrylate) (PMMA) matrices by in situ technique. The presence of CdS in PEO and PMMA matrix was confirmed using X-ray photoelectron spectroscopy (XPS). Fourier Transform Infrared spectroscopy (FTIR) analysis disclosed the co-ordination of CdS in the matrices. Thermal analysis of the nanocomposites was carried out using Differential Scanning calorimetric studies (DSC). The optical studies using UV–vis spectroscopy were carried out to find the band gap of the materials and the absorption onset. The CdS particle size in the matrices was found by Effective Mass Approximation (EMA) model usingmore » the band gap values and was confirmed by TEM studies. The surface trapped emissions of the nanocomposites were observed from the photoluminescence (PL) spectra. The distribution of CdS particles in the polymer matrices were presented by Atomic force microscopic studies (AFM).« less

A spectroscopic study for understanding the speciation of Cr on palm shell based adsorbents and their application for the remediation of chrome plating effluents.

PubMed

Kushwaha, Shilpi; Sreedhar, B; Sudhakar, Padmaja P

2012-07-01

Palm shell based adsorbents prepared under five different thermochemical conditions have been shown to be quite effective for removal of chromium (III and VI) from aqueous solutions. X-ray photoelectron spectroscopy (XPS) and Fourier Transform Infrared Spectroscopy (FT-IR) have been used to determine information about the speciation and binding of chromium on the adsorbents under study. X-ray photoelectron spectroscopy (XPS) studies indicate that oxidation of lignin moieties takes place concurrently to Cr(VI) reduction and leads to the formation of hydroxyl and carboxyl functions. The maximum adsorption capacity for hexavalent chromium was found to be about 313 mg/g in an acidic medium using PAPSP. This is comparable to other natural substrates and ordinary adsorbents. The efficacy of the adsorbents under study to remove chromium from plating waste water has been demonstrated. Copyright © 2012 Elsevier Ltd. All rights reserved.

Raman Spectroscopy of Experimental Oral Carcinogenesis: Study on Sequential Cancer Progression in Hamster Buccal Pouch Model.

PubMed

Kumar, Piyush; Bhattacharjee, Tanmoy; Ingle, Arvind; Maru, Girish; Krishna, C Murali

2016-10-01

Oral cancers suffer from poor 5-year survival rates, owing to late detection of the disease. Current diagnostic/screening tools need to be upgraded in view of disadvantages like invasiveness, tedious sample preparation, long output times, and interobserver variances. Raman spectroscopy has been shown to identify many disease conditions, including oral cancers, from healthy conditions. Further studies in exploring sequential changes in oral carcinogenesis are warranted. In this Raman spectroscopy study, sequential progression in experimental oral carcinogenesis in Hamster buccal pouch model was investigated using 3 approaches-ex vivo, in vivo sequential, and in vivo follow-up. In all these studies, spectral changes show lipid dominance in early stages while later stages and tumors showed increased protein to lipid ratio and nucleic acids. On similar lines, early weeks of 7,12-dimethylbenz(a)anthracene-treated and control groups showed higher overlap and low classification. The classification efficiency increased progressively, reached a plateau phase and subsequently increased up to 100% by 14 weeks. The misclassifications between treated and control spectra suggested some changes in controls as well, which was confirmed by a careful reexamination of histopathological slides. These findings suggests Raman spectroscopy may be able to identify microheterogeneity, which may often go unnoticed in conventional biochemistry wherein tissue extracts are employed, as well as in histopathology. In vivo findings, quite comparable to gold-standard supported ex vivo findings, give further proof of Raman spectroscopy being a promising label-free, noninvasive diagnostic adjunct for future clinical applications. © The Author(s) 2015.

Quality Assessment of Urinary Stone Analysis: Results of a Multicenter Study of Laboratories in Europe

PubMed Central

Siener, Roswitha; Buchholz, Noor; Daudon, Michel; Hess, Bernhard; Knoll, Thomas; Osther, Palle J.; Reis-Santos, José; Sarica, Kemal; Traxer, Olivier; Trinchieri, Alberto

2016-01-01

After stone removal, accurate analysis of urinary stone composition is the most crucial laboratory diagnostic procedure for the treatment and recurrence prevention in the stone-forming patient. The most common techniques for routine analysis of stones are infrared spectroscopy, X-ray diffraction and chemical analysis. The aim of the present study was to assess the quality of urinary stone analysis of laboratories in Europe. Nine laboratories from eight European countries participated in six quality control surveys for urinary calculi analyses of the Reference Institute for Bioanalytics, Bonn, Germany, between 2010 and 2014. Each participant received the same blinded test samples for stone analysis. A total of 24 samples, comprising pure substances and mixtures of two or three components, were analysed. The evaluation of the quality of the laboratory in the present study was based on the attainment of 75% of the maximum total points, i.e. 99 points. The methods of stone analysis used were infrared spectroscopy (n = 7), chemical analysis (n = 1) and X-ray diffraction (n = 1). In the present study only 56% of the laboratories, four using infrared spectroscopy and one using X-ray diffraction, fulfilled the quality requirements. According to the current standard, chemical analysis is considered to be insufficient for stone analysis, whereas infrared spectroscopy or X-ray diffraction is mandatory. However, the poor results of infrared spectroscopy highlight the importance of equipment, reference spectra and qualification of the staff for an accurate analysis of stone composition. Regular quality control is essential in carrying out routine stone analysis. PMID:27248840

Quality Assessment of Urinary Stone Analysis: Results of a Multicenter Study of Laboratories in Europe.

PubMed

Siener, Roswitha; Buchholz, Noor; Daudon, Michel; Hess, Bernhard; Knoll, Thomas; Osther, Palle J; Reis-Santos, José; Sarica, Kemal; Traxer, Olivier; Trinchieri, Alberto

2016-01-01

After stone removal, accurate analysis of urinary stone composition is the most crucial laboratory diagnostic procedure for the treatment and recurrence prevention in the stone-forming patient. The most common techniques for routine analysis of stones are infrared spectroscopy, X-ray diffraction and chemical analysis. The aim of the present study was to assess the quality of urinary stone analysis of laboratories in Europe. Nine laboratories from eight European countries participated in six quality control surveys for urinary calculi analyses of the Reference Institute for Bioanalytics, Bonn, Germany, between 2010 and 2014. Each participant received the same blinded test samples for stone analysis. A total of 24 samples, comprising pure substances and mixtures of two or three components, were analysed. The evaluation of the quality of the laboratory in the present study was based on the attainment of 75% of the maximum total points, i.e. 99 points. The methods of stone analysis used were infrared spectroscopy (n = 7), chemical analysis (n = 1) and X-ray diffraction (n = 1). In the present study only 56% of the laboratories, four using infrared spectroscopy and one using X-ray diffraction, fulfilled the quality requirements. According to the current standard, chemical analysis is considered to be insufficient for stone analysis, whereas infrared spectroscopy or X-ray diffraction is mandatory. However, the poor results of infrared spectroscopy highlight the importance of equipment, reference spectra and qualification of the staff for an accurate analysis of stone composition. Regular quality control is essential in carrying out routine stone analysis.

Following aptamer-ricin specific binding by single molecule recognition and force spectroscopy measurements

USDA-ARS?s Scientific Manuscript database

The atomic force microscope (AFM) recognition and dynamic force spectroscopy (DFS) experiments provide both morphology and interaction information of the aptamer and protein, which can be used for the future study on the thermodynamics and kinetics properties of ricin-aptamer/antibody interactions. ...

A spatially offset Raman spectroscopy method for non-destructive detection of gelatin-encapsulated powders

USDA-ARS?s Scientific Manuscript database

Non-destructive subsurface detection of encapsulated, coated, or seal-packaged foods and pharmaceuticals can help prevent distribution and consumption of counterfeit or hazardous products. This study used a Spatially Offset Raman Spectroscopy (SORS) method to detect and identify urea, ibuprofen, and...

Porous framework of T{sub 2}[Fe(CN){sub 6}].xH{sub 2}O with T=Co, Ni, Cu, Zn, and H{sub 2} storage

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

Avila, M.; Reguera, L.; Rodriguez-Hernandez, J.

2008-11-15

The materials under study were prepared from aqueous solutions of ferrocyanic acid and salts of the involved transition metals and their crystal structure solved and refined from X-ray powder diffraction data. Complementary information from thermogravimetric, infrared and Moessbauer data was also used for the structural study. Three different crystal structures were found: hexagonal (P-3) for Zn with the zinc atom coordinated to three N ends of CN groups plus a water molecule, cubic (Pm-3m) for Ni and Cu, and monoclinic (P2{sub 1}/m) for Co. For Ni and Cu the obtained solids have an open channel framework related to 50% ofmore » vacancies for the building unit, [Fe(CN){sub 6}]. In the as-synthesized material the framework free volume is occupied by coordinated and hydrogen-bonded water molecules. These of hexacyanoferrates (II) have received certain attention as prototype of materials for the hydrogen storage. In the anhydrous phase of Ni and Cu, 50% of the metal (T) coordination sites, located at the cavities surface, will be available to interact with the hydrogen molecule. However, when the crystal waters are removed the porous frameworks collapse as it is suggested by H{sub 2} and CO{sub 2} adsorption data. For Co, a structure of stacked layers was found where the cobalt atoms have both tetrahedral and octahedral coordination. The layers remain together through a network of hydrogen-bonding interactions between coordinated and weakly bonded water molecules. No H{sub 2} adsorption was observed in the anhydrous phase of Co. For Zn, the porous framework remains stable on the water removal but with a system of narrow channels and a small available volume, also inaccessible to H{sub 2}. - Graphical abstract: Structure of stacked layers for CO{sub 2}[Fe(CN){sub 6}].xH{sub 2}O.« less

The road not taken: Applications of fluorescence spectroscopy and electronic structure theory to systems of materials and biological relevance

NASA Astrophysics Data System (ADS)

Carlson, Philip Joseph

Applications of Fluorescence Spectroscopy and Electronic Structure Theory to Systems of Materials and Biological Relevance. The photophysics of curcumin was studied in micelles and the solvation dynamics were probed. The high-energy ionic liquid HEATN was also studied using the fragment molecular orbital method. The solvation dynamics of the HEATN system were determined. This marks the first study of the solvation dynamics in a triazolium ionic liquid system.

Reference publication year spectroscopy (RPYS) of Eugene Garfield's publications.

PubMed

Bornmann, Lutz; Haunschild, Robin; Leydesdorff, Loet

2018-01-01

Which studies, theories, and ideas have influenced Eugene Garfield's scientific work? Recently, the method reference publication year spectroscopy (RPYS) has been introduced, which can be used to answer this and related questions. Since then, several studies have been published dealing with the historical roots of research fields and scientists. The program CRExplorer (http://www.crexplorer.net) was specifically developed for RPYS. In this study, we use this program to investigate the historical roots of Eugene Garfield's oeuvre.

Diiodobodipy-styrylbodipy Dyads: Preparation and Study of the Intersystem Crossing and Fluorescence Resonance Energy Transfer.

PubMed

Wang, Zhijia; Xie, Yun; Xu, Kejing; Zhao, Jianzhang; Glusac, Ksenija D

2015-07-02

2,6-Diiodobodipy-styrylbodipy dyads were prepared to study the competing intersystem crossing (ISC) and the fluorescence-resonance-energy-transfer (FRET), and its effect on the photophysical property of the dyads. In the dyads, 2,6-diiodobodipy moiety was used as singlet energy donor and the spin converter for triplet state formation, whereas the styrylbodipy was used as singlet and triplet energy acceptors, thus the competition between the ISC and FRET processes is established. The photophysical properties were studied with steady-state UV-vis absorption and fluorescence spectroscopy, electrochemical characterization, and femto/nanosecond time-resolved transient absorption spectroscopies. FRET was confirmed with steady state fluorescence quenching and fluorescence excitation spectra and ultrafast transient absorption spectroscopy (kFRET = 5.0 × 10(10) s(-1)). The singlet oxygen quantum yield (ΦΔ = 0.19) of the dyad was reduced as compared with that of the reference spin converter (2,6-diiodobodipy, ΦΔ = 0.85), thus the ISC was substantially inhibited by FRET. Photoinduced intramolecular electron transfer (ET) was studied by electrochemical data and fluorescence quenching. Intermolecular triplet energy transfer was studied with nanosecond transient absorption spectroscopy as an efficient (ΦTTET = 92%) and fast process (kTTET = 5.2 × 10(4) s(-1)). These results are useful for designing organic triplet photosensitizers and for the study of the photophysical properties.

Mineralogy of SNC Meteorite EET79001 by Simultaneous Fitting of Moessbauer Backscatter Spectra

NASA Technical Reports Server (NTRS)

Morris, Richard V.; Agresti, D. G.

2010-01-01

We have acquired M ssbauer spectra for SNC meteorite EET79001 with a MIMOS II backscatter M ssbauer spectrometer [1] similar to those now operating on Mars as part of the Mars Exploration Rover (MER) missions. We are working to compare the Fe mineralogical composition of martian meteorites with in-situ measurements on Mars. Our samples were hand picked from the >1 mm size fraction of saw fines on the basis of lithology, color, and grain size (Table 1). The chips were individually analyzed at approx.300K by placing them on a piece of plastic that was in turn supported by the contact ring of the instrument (oriented vertically). Tungsten foil was used to mask certain areas from analysis. As shown in Figure 1, a variety of spectra was obtained, each resulting from different relative contributions of the Fe-bearing minerals present in the sample. Because the nine samples are reasonably mixtures of the same Fe-bearing phases in variable proportions, the nine spectra were fit simultaneously (simfit) with a common model, adjusting parameters to a single minimum chi-squared convergence criterion [2]. The starting point for the fitting model and values of hyperfine parameters was the work of Solberg and Burns [3], who identified olivine, pyroxene, and ferrous glass as major, and ilmenite and a ferric phase as minor (<5%), Fe-bearing phases in EET79001.

'Diamond Jenness': After the Grind

NASA Technical Reports Server (NTRS)

2004-01-01

This microscopic imager mosaic taken by NASA's Mars Exploration Rover Opportunity shows the rock dubbed 'Diamond Jenness.' It was taken on sol 177 (July 23, 2004) after the rover first ground into the rock with its rock abrasion tool, or 'Rat.' The rover later ground into the rock a second time. A sliced spherule, or 'blueberry,' is visible in the upper left corner of the hole.

Opportunity has bored nearly a dozen holes into the inner walls of 'Endurance Crater.' On sols 177 and 178 (July 23 and July 24, 2004), the rover worked double-duty on Diamond Jenness. Surface debris and the bumpy shape of the rock resulted in a shallow and irregular hole, only about 2 millimeters (0.08 inch) deep. The final depth was not enough to remove all the bumps and leave a neat hole with a smooth floor. This extremely shallow depression was then examined by the rover's alpha particle X-ray spectrometer.

On Sol 178, Opportunity's 'robotic rodent' dined on Diamond Jenness once again, grinding almost an additional 5 millimeters (about 0.2 inch). The rover then applied its Moessbauer spectrometer to the deepened hole. This double dose of Diamond Jenness enabled the science team to examine the rock at varying layers. Results from those grindings are currently being analyzed.

The image mosaic is about 6 centimeters (2.4 inches) across.

Titanium Mass-balance Analysis of Paso Robles Soils: Elemental Gains and Losses as Affected by Acid Alteration Fluids

NASA Technical Reports Server (NTRS)

Sutter, Brad; Ming, Douglas W.

2010-01-01

The Columbia Hills soils have been exposed to aqueous alteration in alkaline [1] as well as acid conditions [2,3]. The Paso Robles class soils are bright soils that possess the highest S concentration of any soil measured on Mars [2]. Ferric-sulfate detection by Moessbauer analysis indicated that acid solutions were involved in forming these soils [4]. These soils are proposed to have formed by alteration of nearby rock by volcanic hydrothermal or fumarolic activity. The Paso Robles soils consist of the original Paso Robles-disturbed-Pasadena (PR-dist), Paso Robles- PasoLight (PR-PL), Arad-Samra, Arad-Hula, Tyrone- Berker Island1 and Tyrone-MountDarwin [2 ,3. ]Chemical characteristics indicate that the PR-dist and PR-PL soils could be derived from acid weathering of local Wishstone rocks while the Samra and Hula soils are likely derived from local Algonquin-Iroquet rock [3]. The Paso Robles soils were exposed to acidic sulfur bearing fluids; however, little else is known about the chemistry of the alteration fluid and its effects on the alteration of the proposed parent materials. The objectives of this work are to conduct titanium normalized mass-balance analysis to1) assess elemental gains and losses from the parent materials in the formation of the Paso Robles soils and 2) utilize this information to indicate the chemical nature of the alteration fluids.

Solid-State NMR Spectroscopy of Metal–Organic Framework Compounds (MOFs)

PubMed Central

Hoffmann, Herbert C.; Debowski, Marta; Müller, Philipp; Paasch, Silvia; Senkovska, Irena; Kaskel, Stefan; Brunner, Eike

2012-01-01

Nuclear Magnetic Resonance (NMR) spectroscopy is a well-established method for the investigation of various types of porous materials. During the past decade, metal–organic frameworks have attracted increasing research interest. Solid-state NMR spectroscopy has rapidly evolved into an important tool for the study of the structure, dynamics and flexibility of these materials, as well as for the characterization of host–guest interactions with adsorbed species such as xenon, carbon dioxide, water, and many others. The present review introduces and highlights recent developments in this rapidly growing field.

In vivo soft tissue differentiation by diffuse reflectance spectroscopy: preliminary results

NASA Astrophysics Data System (ADS)

Zam, Azhar; Stelzle, Florian; Tangermann-Gerk, Katja; Adler, Werner; Nkenke, Emeka; Neukam, Friedrich Wilhelm; Schmidt, Michael; Douplik, Alexandre

Remote laser surgery does not provide haptic feedback to operate layer by layer and preserve vulnerable anatomical structures like nerve tissue or blood vessels. The aim of this study is identification of soft tissue in vivo by diffuse reflectance spectroscopy to set the base for a feedback control system to enhance nerve preservation in oral and maxillofacial laser surgery. Various soft tissues can be identified by diffuse reflectance spectroscopy in vivo. The results may set the base for a feedback system to prevent nerve damage during oral and maxillofacial laser surgery.

Large Area X-Ray Spectroscopy Mission

NASA Technical Reports Server (NTRS)

Tananbaum, H.

1997-01-01

The Large Area X-ray Spectroscopy (LAXS) mission concept study continues to evolve strongly following the merging of the LAXS mission with the Next Generation X-ray Observatory (NGXO, PI: Nick White) into the re-named High Throughput X-ray Spectroscopy (HTXS) Mission. HTXS retains key elements of the LAXS proposal, including the use of multiple satellites for risk-reduction and cost savings. A key achievement of the program has been the recommendation by the Structure and Evolution of the Universe (SEUS) (April 1997) for a new start for the HTXS mission in the 2000-2004 timeframe.

Study on THz spectra of the active ingredients in the TCM

NASA Astrophysics Data System (ADS)

Ma, ShiHua; Wang, WenFeng; Liu, GuiFeng; Ge, Min; Zhu, ZhiYong

2008-03-01

Terahertz spectroscopy has tremendous potential for applications to evaluate the quality of the drugs including the TCM. In this paper, the Terahertz Time-Domain Spectroscopy investigated two active ingredients: Andrographolide and Dehydroandrographoline, isolated from Andrographis paniculata (Burm. f.) Nees. We also measured the mixtures of two active ingredients at the different ratio and the quantitative analysis is also applied to determine the contents of compound. The Terahertz spectroscopy is a potential and promising technique in identifying the components, evaluating the drugs sanitation and inspecting the quality of medicine including TCM.

Characterization study of polycrystalline tin oxide surfaces before and after reduction in CO

NASA Technical Reports Server (NTRS)

Drawdy, Jean E.; Hoflund, Gar B.; Davidson, Mark R.; Schryer, David R.

1990-01-01

Polycrystalline tin oxide surfaces have been examined before and after reduction in 40 Torr of CO at 100 and 175 C using Auger electron spectroscopy (AES), electron spectroscopy for chemical analysis (ESCA), ion scattering spectroscopy (ISS) and electron stimulated desorption (ESD). The changes in the surface composition and chemical states of the surface species generally are subtle for the reductive conditions used. However, significant changes do occur with regard to the amounts and the chemical forms of the hydrogen-containing species remaining after both the 100 and 175 C reductions.

Study of diffusion coefficient of anhydrous trehalose glasses by using PFG-NMR spectroscopy

NASA Astrophysics Data System (ADS)

Kwon, Hyun-Joung; Takekawa, Reiji; Kawamura, Junichi; Tokuyama, Michio

2013-02-01

We investigated the temperature dependent long time self-diffusion coefficient of the anhydrous trehalose supercooled liquids by using pulsed field gradient nuclear magnetic resonance (PFG-NMR) spectroscopy. At the same temperature ranges, the diffusion coefficient convoluted from the α-relaxation time as Einstein-Smoluchowski relaxation, measured by using the dielectric loss spectroscopy are well overlapped with diffusion coefficients within experimental error. The temperature dependent diffusion coefficients obtained from different methods are normalized by fictive temperature and well satisfied the single master curve, proposed by Tokuyama.

p-Type dopant incorporation and surface charge properties of catalyst-free GaN nanowires revealed by micro-Raman scattering and X-ray photoelectron spectroscopy.

PubMed

Wang, Q; Liu, X; Kibria, M G; Zhao, S; Nguyen, H P T; Li, K H; Mi, Z; Gonzalez, T; Andrews, M P

2014-09-07

Micro-Raman scattering and X-ray photoelectron spectroscopy were employed to investigate Mg-doped GaN nanowires. With the increase of Mg doping level, pronounced Mg-induced local vibrational modes were observed. The evolution of longitudinal optical phonon-plasmon coupled mode, together with detailed X-ray photoelectron spectroscopy studies, show that the near-surface region of nanowires can be transformed from weakly n-type to p-type with the increase of Mg doping.