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Sample records for cryogenic fourier-transform ion

  1. First Signal on the Cryogenic Fourier-Transform Ion Cyclotron Resonance Mass Spectrometer

    PubMed Central

    Lin, Cheng; Mathur, Raman; Aizikov, Kostantin; O'Connor, Peter B.

    2009-01-01

    The construction and achievement of the first signal on a cryogenic Fourier-transform ion cyclotron resonance mass spectrometer (FT-ICR-MS) are reported here, demonstrating proof-of-concept of this new instrument design. Building the FTICR cell into the cold bore of a superconducting magnet provided advantages over conventional warm bore design. At 4.2 K, the vacuum system cryopumps itself, thus removing the requirement for a large bore to achieve the desired pumping speed for maintaining base pressure. Furthermore, because the bore diameter has been reduced, the amount of magnet wire needed to achieve high field and homogeneity was also reduced, greatly decreasing the cost/Tesla of the magnet. The current instrument implements an actively shielded 14-Tesla magnet of vertical design with an external matrix assisted laser desorption/ionization (MALDI) source. The first signal was obtained by detecting the laser desorbed/ionized (LDI) C60+• ions, with the magnet at 7 Tesla, unshimmed, and the preamplifier mounted outside of the vacuum chamber at room temperature. A subsequent experiment done with the magnet at 14 Tesla and properly shimmed produced a C60 spectrum showing ∼350,000 resolving power at m/z ∼720. Increased magnetic field strength improves many FTMS performance parameters simultaneously, particularly mass resolving power and accuracy. PMID:17931882

  2. Cryogenic Scan Mechanism for Fourier Transform Spectrometer

    NASA Technical Reports Server (NTRS)

    Brasunas, John C.; Francis, John L.

    2011-01-01

    A compact and lightweight mechanism has been developed to accurately move a Fourier transform spectrometer (FTS) scan mirror (a cube corner) in a near-linear fashion with near constant speed at cryogenic temperatures. This innovation includes a slide mechanism to restrict motion to one dimension, an actuator to drive the motion, and a linear velocity transducer (LVT) to measure the speed. The cube corner mirror is double-passed in one arm of the FTS; double-passing is required to compensate for optical beam shear resulting from tilting of the moving cube corner. The slide, actuator, and LVT are off-the-shelf components that are capable of cryogenic vacuum operation. The actuator drives the slide for the required travel of 2.5 cm. The LVT measures translation speed. A proportional feedback loop compares the LVT voltage with the set voltage (speed) to derive an error signal to drive the actuator and achieve near constant speed. When the end of the scan is reached, a personal computer reverses the set voltage. The actuator and LVT have no moving parts in contact, and have magnetic properties consistent with cryogenic operation. The unlubricated slide restricts motion to linear travel, using crossed roller bearings consistent with 100-million- stroke operation. The mechanism tilts several arc seconds during transport of the FTS mirror, which would compromise optical fringe efficiency when using a flat mirror. Consequently, a cube corner mirror is used, which converts a tilt into a shear. The sheared beam strikes (at normal incidence) a flat mirror at the end of the FTS arm with the moving mechanism, thereby returning upon itself and compensating for the shear

  3. First signal from a broadband cryogenic preamplifier cooled by circulating liquid nitrogen in a 7 T Fourier transform ion cyclotron resonance mass spectrometer.

    PubMed

    Choi, Myoung Choul; Lee, Jeong Min; Lee, Se Gyu; Choi, Sang Hwan; Choi, Yeon Suk; Lee, Kyung Jae; Kim, SeungYong; Kim, Hyun Sik; Stahl, Stefan

    2012-12-18

    Despite the outstanding performance of Fourier transform ion cyclotron/mass spectrometry (FTICR/MS), the complexity of the cellular proteome or natural compounds presents considerable challenges. Sensitivity is a key performance parameter of a FTICR mass spectrometer. By improving this parameter, the dynamic range of the instrument can be increased to improve the detection signal of low-abundance compounds or fragment ion peaks. In order to improve sensitivity, a cryogenic detection system was developed by the KBSI (Korean Basic Science Institute) in collaboration with Stahl-Electronics (Mettenheim, Germany). A simple, efficient liquid circulation cooling system was designed and a cryogenic preamplifier implemented inside a FTICR mass spectrometer. This cooling system circulates a cryoliquid from a Dewar to the "liquid circulation unit" through a CF flange to cool a copper block and a cryopreamplifier; the cooling medium is subsequently exhausted into the air. The cryopreamplifier can be operated over a very wide temperature range, from room temperature to low temperature environments (4.2 K). First, ion signals detected by the cryopreamplifier using a circulating liquid nitrogen cooling system were observed and showed a signal-to-noise ratio (S/N) about 130% better than that obtained at room temperature.

  4. Fourier transform ion cyclotron resonance mass spectrometry

    NASA Astrophysics Data System (ADS)

    Marshall, Alan G.

    1998-06-01

    As for Fourier transform infrared (FT-IR) interferometry and nuclear magnetic resonance (NMR) spectroscopy, the introduction of pulsed Fourier transform techniques revolutionized ion cyclotron resonance mass spectrometry: increased speed (factor of 10,000), increased sensitivity (factor of 100), increased mass resolution (factor of 10,000-an improvement not shared by the introduction of FT techniques to IR or NMR spectroscopy), increased mass range (factor of 500), and automated operation. FT-ICR mass spectrometry is the most versatile technique for unscrambling and quantifying ion-molecule reaction kinetics and equilibria in the absence of solvent (i.e., the gas phase). In addition, FT-ICR MS has the following analytically important features: speed (~1 second per spectrum); ultrahigh mass resolution and ultrahigh mass accuracy for analysis of mixtures and polymers; attomole sensitivity; MSn with one spectrometer, including two-dimensional FT/FT-ICR/MS; positive and/or negative ions; multiple ion sources (especially MALDI and electrospray); biomolecular molecular weight and sequencing; LC/MS; and single-molecule detection up to 108 Dalton. Here, some basic features and recent developments of FT-ICR mass spectrometry are reviewed, with applications ranging from crude oil to molecular biology.

  5. Cryogenic Fourier transform infrared spectrometer from 4 to 20 micrometers

    NASA Astrophysics Data System (ADS)

    Kaplan, Simon G.; Woods, Solomon I.; Jung, Timothy M.; Carter, Adriaan C.

    2010-07-01

    We describe the design and performance of a cryogenic Fourier transform spectrometer (Cryo-FTS) operating at a temperature of approximately 15 K. The instrument is based on a porch-swing scanning mirror design with active alignment stabilization using a fiber-optic coupled diode laser and voice-coil actuator mechanism. It has a KBr beamsplitter and has been integrated into an infrared radiometer containing a calibrated Si:As blocked impurity band (BIB) detector. Due to its low operating temperature, the spectrometer exhibits very small thermal background signal and low drift. Data from tests of basic spectrometer function, such as modulation efficiency, scan jitter, spectral range, and spectral resolution are presented. We also present results from measurements of faint point-like sources in a low background environment, including background, signal offset and gain, and spectral noise equivalent power, and discuss the possible use of the instrument for spectral characterization of ground-based infrared astronomy calibration sources. The Cryo-FTS is presently limited to wavelengths below 25 micrometers but can be in principle extended to longer wavelengths with changes in beamsplitter and detector.

  6. Personal computer based Fourier transform ion cyclotron resonance mass spectrometer

    NASA Astrophysics Data System (ADS)

    Guan, Shenheng; Jones, Patrick R.

    1988-12-01

    An IBM PC AT compatible computer is used to host the interface of a Fourier transform ion cyclotron resonance mass spectrometer or FTMS. A common fast memory bank for both ion-excitation waveform and data acquisition is reserved in the computer's system memory space. All the digital electronics circuitry is assembled on an IBM PC AT extension board. Neither an external frequency synthesizer nor a waveform digitizer is needed. Ion-excitation waveforms can be generated in either frequency-sweeping or inverse-Fourier transform modes. Both excitation and data acquisition can be carried out at eight megawords per second.

  7. External Second Gate-Fourier Transform Ion Mobility Spectrometry.

    SciTech Connect

    Tarver, Edward E., III

    2005-01-01

    Ion mobility spectrometry (IMS) is recognized as one of the most sensitive and versatile techniques for the detection of trace levels of organic vapors. IMS is widely used for detecting contraband narcotics, explosives, toxic industrial compounds and chemical warfare agents. Increasing threat of terrorist attacks, the proliferation of narcotics, Chemical Weapons Convention treaty verification as well as humanitarian de-mining efforts has mandated that equal importance be placed on the analysis time as well as the quality of the analytical data. (1) IMS is unrivaled when both speed of response and sensitivity has to be considered. (2) With conventional (signal averaging) IMS systems the number of available ions contributing to the measured signal to less than 1%. Furthermore, the signal averaging process incorporates scan-to-scan variations decreasing resolution. With external second gate Fourier Transform ion mobility spectrometry (FT-IMS), the entrance gate frequency is variable and can be altered in conjunction with other data acquisition parameters to increase the spectral resolution. The FT-IMS entrance gate operates with a 50% duty cycle and so affords a 7 to 10-fold increase in sensitivity. Recent data on high explosives are presented to demonstrate the parametric optimization in sensitivity and resolution of our system.

  8. Planetary infrared astronomy using a cryogenic postdisperser on Fourier transform spectrometers

    NASA Technical Reports Server (NTRS)

    Jennings, D. E.; Kunde, V. G.; Hanel, R. A.; Maguire, W. C.; Lamb, G. M.

    1986-01-01

    High resolution infrared spectra of planets from ground-based observatories were analyzed and instrumentation to improve sensitivity was developed. A cryogenic postdisperser (a narrow bandpass spectral filter) for use with Fourier transform spectrometers (FTS's) at facility observatories was constructed. This instrument has improved the sensitivity of FTS observations at 8 to 20 microns by about an order of magnitude. Spectra of Jupiter, Saturn and Comet Halley were obtained using the postdisperser with FTS facilities at the Kitt Peak 4-meter and McMath telescopes. Spectral resolution as high as 0.01/cm was achieved.

  9. Cryogenic magnetic bearing scanning mechanism design for the SPICA/SAFARI Fourier transform spectrometer

    NASA Astrophysics Data System (ADS)

    van den Dool, Teun C.; Hamelinck, Roger F. M. M.; Kruizinga, Bob; Gielesen, Wim L. M.; Braam, Ben C.; Nijenhuis, Jan R.; Loix, Nicolas; Luyckx, Stanislas; van Loon, Dennis; Kooijman, Peter Paul; Swinyard, Bruce M.

    2010-07-01

    TNO, together with its partners Micromega and SRON, have designed a cryogenic scanning mechanism for use in the SAFARI Fourier Transform Spectrometer (FTS) on board of the SPICA mission. The optics of the FTS scanning mechanism (FTSM) consists of two back-to-back cat's-eyes. The optics are mounted on a central "back-bone" tube which houses all the important mechatronic parts: the magnetic bearing linear guiding system, a magnetic linear motor serving as the OPD actuator, internal metrology with nanometer resolution, and a launch lock. A magnetic bearing is employed to enable a large scanning stroke in a small volume. It supports the optics in a free-floating way with no friction, or other non-linearities, enabling sub-nanometer accuracy within a single stage with a stroke of -4 mm to +31.5 mm. Because the FTSM will be used at cryogenic temperatures of 4 Kelvin, the main structure and optics are all constructed from 6061 Aluminum. The overall outside dimensions of the FTSM are: 393 x 130 x 125 mm, and the mass is 2.2 kg.

  10. Differentiating Fragmentation Pathways of Cholesterol by Two-Dimensional Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

    NASA Astrophysics Data System (ADS)

    van Agthoven, Maria A.; Barrow, Mark P.; Chiron, Lionel; Coutouly, Marie-Aude; Kilgour, David; Wootton, Christopher A.; Wei, Juan; Soulby, Andrew; Delsuc, Marc-André; Rolando, Christian; O'Connor, Peter B.

    2015-12-01

    Two-dimensional Fourier transform ion cyclotron resonance mass spectrometry is a data-independent analytical method that records the fragmentation patterns of all the compounds in a sample. This study shows the implementation of atmospheric pressure photoionization with two-dimensional (2D) Fourier transform ion cyclotron resonance mass spectrometry. In the resulting 2D mass spectrum, the fragmentation patterns of the radical and protonated species from cholesterol are differentiated. This study shows the use of fragment ion lines, precursor ion lines, and neutral loss lines in the 2D mass spectrum to determine fragmentation mechanisms of known compounds and to gain information on unknown ion species in the spectrum. In concert with high resolution mass spectrometry, 2D Fourier transform ion cyclotron resonance mass spectrometry can be a useful tool for the structural analysis of small molecules.

  11. Differentiating Fragmentation Pathways of Cholesterol by Two-Dimensional Fourier Transform Ion Cyclotron Resonance Mass Spectrometry.

    PubMed

    van Agthoven, Maria A; Barrow, Mark P; Chiron, Lionel; Coutouly, Marie-Aude; Kilgour, David; Wootton, Christopher A; Wei, Juan; Soulby, Andrew; Delsuc, Marc-André; Rolando, Christian; O'Connor, Peter B

    2015-12-01

    Two-dimensional Fourier transform ion cyclotron resonance mass spectrometry is a data-independent analytical method that records the fragmentation patterns of all the compounds in a sample. This study shows the implementation of atmospheric pressure photoionization with two-dimensional (2D) Fourier transform ion cyclotron resonance mass spectrometry. In the resulting 2D mass spectrum, the fragmentation patterns of the radical and protonated species from cholesterol are differentiated. This study shows the use of fragment ion lines, precursor ion lines, and neutral loss lines in the 2D mass spectrum to determine fragmentation mechanisms of known compounds and to gain information on unknown ion species in the spectrum. In concert with high resolution mass spectrometry, 2D Fourier transform ion cyclotron resonance mass spectrometry can be a useful tool for the structural analysis of small molecules. Graphical Abstract ᅟ.

  12. Laser desorption studies of high mass biomolecules in Fourier-transform ion cyclotron resonance mass spectrometry.

    PubMed Central

    Solouki, T; Russell, D H

    1992-01-01

    Matrix-assisted laser desorption ionization is used to obtain Fourier-transform ion cyclotron resonance mass spectra of model peptides (e.g., gramicidin S, angiotensin I, renin substrate, melittin, and bovine insulin). Matrix-assisted laser desorption ionization yields ions having appreciable kinetic energies. Two methods for trapping the high kinetic energy ions are described: (i) the ion signal for [M+H]+ ions is shown to increase with increasing trapping voltages, and (ii) collisional relaxation is used for the detection of [M+H]+ ions of bovine insulin. Images PMID:1378614

  13. Electrostatic ion trap and Fourier transform measurements for high-resolution mass spectrometry.

    PubMed

    Bhushan, K G; Gadkari, S C; Yakhmi, J V; Sahni, V C

    2007-08-01

    We report on the development of an electrostatic ion trap for high-resolution mass spectrometry. The trap works on purely electrostatic fields and hence trapping and storing of ions is not mass restrictive, unlike other techniques based on Penning, Paul, or radio frequency quadrupole ion traps. It allows simultaneous trapping and studying of multiple mass species over a large mass range. Mass spectra were recorded in "dispersive" and "self-bunching" modes of ions. Storage lifetimes of about 100 ms and mass resolving power of about 20,000 could be achieved from the fifth harmonic Fourier transform spectrum of Xe ions recorded in the self-bunching mode.

  14. Fast neutral beam ion source coupled to a Fourier transform ion cyclotron resonance mass spectrometer

    NASA Astrophysics Data System (ADS)

    Hill, Nicholas C.; Limbach, Patrick A.; Shomo, Ronald E., II; Marshall, Alan G.; Appelhans, Anthony D.; Delmore, James E.

    1991-11-01

    The coupling of an autoneutralizing SF-6 fast ion-beam gun to a Fourier transform ion cyclotron resonance (FT/ICR) mass spectrometer is described. The fast neutral beam provides for secondary-ion-type FT/ICR mass analysis [e.g., production of abundant pseudomolecular (M+H)+ ions] of involatile samples without the need for external ion injection, since ions are formed at the entrance to the ICR ion trap. The design, construction, and testing of the hybrid instrument are described. The feasibility of the experiment (for both broadband and high-resolution FT/ICR positive-ion mass spectra) is demonstrated with tetra-butylammonium bromide and a Tylenol■ sample. The ability to analyze high molecular weight polymers with high mass resolution is demonstrated for Teflon■. All of the advantages of the fast neutral beam ion source previously demonstrated with quadrupole mass analysis are preserved, and the additional advantages of FT/ICR mass analysis (e.g., high mass resolving power, ion trapping) are retained.

  15. Fast neutral beam ion source coupled to a Fourier transform ion cyclotron resonance mass spectrometer

    SciTech Connect

    Hill, N.C.; Limbach, P.A.; Shomo, R.E. II; Marshall, A.G. ); Appelhans, A.D.; Delmore, J.E. )

    1991-11-01

    The coupling of an autoneutralizing SF{sup {minus}}{sub 6} fast ion-beam gun to a Fourier transform ion cyclotron resonance (FT/ICR) mass spectrometer is described. The fast neutral beam provides for secondary-ion-type FT/ICR mass analysis (e.g., production of abundant pseudomolecular (M+H){sup +} ions) of involatile samples without the need for external ion injection, since ions are formed at the entrance to the ICR ion trap. The design, construction, and testing of the hybrid instrument are described. The feasibility of the experiment (for both broadband and high-resolution FT/ICR positive-ion mass spectra) is demonstrated with {ital tetra}-butylammonium bromide and a Tylenol{sup ( )} sample. The ability to analyze high molecular weight polymers with high mass resolution is demonstrated for Teflon{sup ( )}. All of the advantages of the fast neutral beam ion source previously demonstrated with quadrupole mass analysis are preserved, and the additional advantages of FT/ICR mass analysis (e.g., high mass resolving power, ion trapping) are retained.

  16. C60 Secondary Ion Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

    SciTech Connect

    Smith, Donald F.; Robinson, Errol W.; Tolmachev, Aleksey V.; Heeren, Ronald M.; Pasa-Tolic, Ljiljana

    2011-12-15

    Secondary ion mass spectrometry (SIMS) has seen increased application for high spatial chemical imaging of complex biological surfaces. The advent and commercial availability of cluster and polyatomic primary ion sources (e.g. Au and Bi cluster and buckminsterfullerene (C60)) provide improved secondary ion yield and decreased fragmentation of surface species, thus accessibility to intact molecular ions. Despite developments in primary ion sources, development of mass spectrometers to fully exploit their advantages has been limited. Tandem mass spectrometry for identification of secondary ions is highly desirable, but implementation has proven to be difficult. Similarly, high mass resolution and high mass measurement accuracy would greatly improve the chemical specificity of SIMS. Here we combine, for the first time, the advantages of a C60 primary ion source with the ultra-high mass resolving power and high mass measurement accuracy of Fourier transform ion cyclotron resonance mass spectrometry. Mass resolving power in excess of 100,000 (m/Δm50%) is demonstrated, with mass measurement accuracies below 3 parts-per-million. Imaging of mouse brain tissue at 40 μm pixel size is shown. Tandem mass spectrometry of ions from biological tissue is demonstrated and molecular formulae can be assigned to fragment ions.

  17. Gated Trapped Ion Mobility Spectrometry Coupled to Fourier Transform Ion Cyclotron Resonance Mass Spectrometry.

    PubMed

    Ridgeway, Mark E; Wolff, Jeremy J; Silveira, Joshua A; Lin, Cheng; Costello, Catherine E; Park, Melvin A

    2016-09-01

    Analysis of molecules by ion mobility spectrometry coupled with mass spectrometry (IMS-MS) provides chemical information on the three dimensional structure and mass of the molecules. The coupling of ion mobility to trapping mass spectrometers has historically been challenging due to the large differences in analysis time between the two devices. In this paper we present a modification of the trapped ion mobility (TIMS) analysis scheme termed "Gated TIMS" that allows efficient coupling to a Fourier Transform Ion Cyclotron Resonance (FT-ICR) analyzer. Analyses of standard compounds and the influence of source conditions on the TIMS distributions produced by ion mobility spectra of labile ubiquitin protein ions are presented. Ion mobility resolving powers up to 100 are observed. Measured collisional cross sections of ubiquitin ions are in excellent qualitative and quantitative agreement to previous measurements. Gated TIMS FT-ICR produces results comparable to those acquired using TIMS/time-of-flight MS instrument platforms as well as numerous drift tube IMS-MS studies published in the literature.

  18. Improved ion optics for introduction of ions into a 9.4-T Fourier transform ion cyclotron resonance mass spectrometer

    SciTech Connect

    Chen, Yu; Leach, Franklin E.; Kaiser, Nathan K.; Dang, Xibei; Ibrahim, Yehia M.; Norheim, Randolph V.; Anderson, Gordon A.; Smith, Richard D.; Marshall, Alan G.

    2015-01-19

    Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry provides unparalleled mass accuracy and resolving power.[1],[2] With electrospray ionization (ESI), ions are typically transferred into the mass spectrometer through a skimmer, which serves as a conductance-limiting orifice. However, the skimmer allows only a small fraction of incoming ions to enter the mass spectrometer. An ion funnel, originally developed by Smith and coworkers at Pacific Northwest National Laboratory (PNNL)[3-5] provides much more efficient ion focusing and transfer. The large entrance aperture of the ion funnel allows almost all ions emanating from a heated capillary to be efficiently captured and transferred, resulting in nearly lossless transmission.

  19. Fourier Transformation

    NASA Astrophysics Data System (ADS)

    Scherer, Philipp O. J.

    Fourier transformation is a very important tool for signal analysis but also helpful to simplify the solution of differential equations or the calculation of convolution integrals. An important numerical method is the discrete Fourier transformation which can be used for trigonometric interpolation and also as a numerical approximation to the continuous Fourier integral. It can be realized efficiently by Goertzel's algorithm or the family of fast Fourier transformation methods. For real valued even functions the computationally simpler discrete cosine transformation can be applied. Several computer experiments demonstrate the principles of trigonometric interpolation and nonlinear filtering.

  20. Improved ion optics for introduction of ions into a 9.4-T Fourier transform ion cyclotron resonance mass spectrometer.

    PubMed

    Chen, Yu; Leach, Franklin E; Kaiser, Nathan K; Dang, Xibei; Ibrahim, Yehia M; Norheim, Randolph V; Anderson, Gordon A; Smith, Richard D; Marshall, Alan G

    2015-01-01

    Enhancements to the ion source and transfer optics of our 9.4 T Fourier transform ion cyclotron resonance (ICR) mass spectrometer have resulted in improved ion transmission efficiency for more sensitive mass measurement of complex mixtures at the MS and MS/MS levels. The tube lens/skimmer has been replaced by a dual ion funnel and the following octopole by a quadrupole for reduced ion cloud radial expansion before transmission into a mass-selective quadrupole. The number of ions that reach the ICR cell is increased by an order of magnitude for the funnel/quadrupole relative to the tube lens/skimmer/octopole.

  1. Fourier transform C-13 NMR analysis of some free and potassium-ion complexed antibiotics.

    NASA Technical Reports Server (NTRS)

    Ohnishi, M.; Fedarko, M.-C.; Baldeschwieler, J. D.; Johnson, L. F.

    1972-01-01

    Fourier transforms of the noise-decoupled, natural abundance C-13 NMR free induction decays of the cyclic antibiotic valinomycin and its potassium-ion complex have been obtained at 25.2 MHz. Comparisons are made with C-13 NMR spectra taken at 22.6 MHz of the cyclic antibiotic nonactin and the synthetic polyether dicyclohexyl-18-crown-6 and their potassium complexes. The results obtained suggest that conformational rearrangements of the molecule as a whole can compete with direct interactions between carbons and the potassium ion in determining C-13 chemical shift differences between the free and complexed species.

  2. Fourier transform C-13 NMR analysis of some free and potassium-ion complexed antibiotics.

    NASA Technical Reports Server (NTRS)

    Ohnishi, M.; Fedarko, M.-C.; Baldeschwieler, J. D.; Johnson, L. F.

    1972-01-01

    Fourier transforms of the noise-decoupled, natural abundance C-13 NMR free induction decays of the cyclic antibiotic valinomycin and its potassium-ion complex have been obtained at 25.2 MHz. Comparisons are made with C-13 NMR spectra taken at 22.6 MHz of the cyclic antibiotic nonactin and the synthetic polyether dicyclohexyl-18-crown-6 and their potassium complexes. The results obtained suggest that conformational rearrangements of the molecule as a whole can compete with direct interactions between carbons and the potassium ion in determining C-13 chemical shift differences between the free and complexed species.

  3. Gas phase ion - molecule reactions studied by Fourier transform ion cyclotron resonance mass spectrometry

    SciTech Connect

    Ross, C.W. III.

    1993-01-01

    Intrinsic thermodynamic information of molecules can easily be determined in the low pressure FT/ICR mass spectrometer. The gas phase basicity of two carbenes were measured by isolating the protonated carbene ion and reacting it with neutral reference compounds by the bracketing method. A fundamentally new-dimensional FT/ICR/MS experiment, SWIM (stored waveform ion modulation) 2D-FT/ICR MS/MS, is described. Prior encodement of the second dimension by use of two identical excitation waveforms separated by a variable delay period is replaced by a new encodement in which each row of the two-dimensional data array is obtained by use of a single stored excitation waveform whose frequency-domain magnitude spectrum is a sinusoid whose frequency increases from one row to the next. In the two-dimensional mass spectrum, the conventional one-dimensional FT/ICR mass spectrum appears along the diagonal, and each off-diagonal peak corresponds to an ion-neutral reaction whose ionic components may be identified by horizontal and vertical projections to the diagonal spectrum. All ion-molecule reactions in a gaseous mixture may be identified from a single 2D-FT/ICR MS/MS experiment, without any prior knowledge of the system. In some endoergic reactions there is a minimum energy threshold that must overcome for a reaction to occur. Hence, a simple sinusoidal modulation of parent ion cyclotron radius leads to a clipped sinusoidal signal of the product ion abundance in the second dimension, which upon Fourier transformation produces signals with harmonic and combination ion cyclotron resonance frequencies. Moreover, ion-molecule reaction rates may vary directly within kinetic energy rather than cyclotron radius. With SWIM, it is possible to tailor the excitation profile so as to produce a sinusoidal modulation of ion kinetic energy as a function of cyclotron frequency.

  4. Atmospheric Pressure Ionization Permanent Magnet Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

    PubMed Central

    Vilkov, Andrey N.; Gamage, Chaminda M.; Misharin, Alexander S.; Doroshenko, Vladimir M.; Tolmachev, Dmitry A.; Tarasova, Irina A.; Kharybin, Oleg N.; Novoselov, Konstantin P.; Gorshkov, Michael V.

    2007-01-01

    A new Fourier Transform Ion Cyclotron Resonance mass spectrometer based on a permanent magnet with an atmospheric pressure ionization source was designed and constructed. A mass resolving power (full-width-at-half-maximum) of up to 80,000 in the electron ionization mode and 25,000 in the electrospray mode was obtained. Also, a mass measurement accuracy at low-ppm level has been demonstrated for peptide mixtures in a mass range of up to 1,200 m/z in the isotopically resolved mass spectra. PMID:17587594

  5. Utility of Higher Harmonics in Electrospray Ionization Fourier Transform Electrostatic Linear Ion Trap Mass Spectrometry.

    PubMed

    Dziekonski, Eric T; Johnson, Joshua T; McLuckey, Scott A

    2017-03-30

    Mass resolution (M/ΔM fwhm) is observed to linearly increase with harmonic order in a Fourier transform electrostatic linear ion trap (ELIT) mass spectrometer. This behavior was predicted by Grosshans and Marshall for frequency-multiple detection in a Fourier transform ion cyclotron resonance mass spectrometer only for situations when the prominent mechanism for signal decay is ion ejection from the trap. As the analyzer pressure in our ELIT chamber is relatively high, such that collisional scattering and collision-induced dissociation are expected to underlie much of the ion loss, we sought to explore the relationship between harmonic order and mass resolution. Mass resolutions of 36 900 (fundamental), 75 850 (2nd harmonic), and 108 200 (3rd harmonic) were obtained for GdO(+) (avg. m/z 173.919) with a transient length of 300 ms. To demonstrate that the mass resolution was truly increasing with harmonic order, the unresolved isotopes at the fundamental distribution of cytochrome c(+8) (m/z ∼ 1549) were nearly baseline, resolved at the third harmonic (mass resolution ≈ 23 000) with a transient length of only 200 ms. This experiment demonstrates that, when the ion density is sufficiently low, ions with frequency differences of less than 4 Hz remain uncoalesced. Higher harmonics can be used to increase the effective mass resolution for a fixed transient length and thereby may enable the resolution of closely spaced masses, determination of a protein ion's charge state, and study of the onset of peak coalescence when the resolution at the fundamental frequency is insufficient.

  6. Development of a Fourier-Transform Ion-Cyclotron-Resonance detection for short-lived radionuclides at SHIPTRAP

    NASA Astrophysics Data System (ADS)

    Ferrer, R.; Blaum, K.; Block, M.; Herfurth, F.; Ketelaer, J.; Nagy, Sz.; Neidherr, D.; Weber, C.; Shiptrap Collaboration

    2007-11-01

    The Penning-trap mass spectrometer SHIPTRAP at GSI is designed to provide clean and cooled beams of singly charged radioactive ions produced in fusion-evaporation reactions and separated in-flight by the velocity filter SHIP. The scientific goals include mass spectrometry, atomic and nuclear spectroscopy, and chemistry of transuranium species which are not available at ISOL- or fragmentation facilities Penning-trap based mass measurements on radionuclides relies up to now on the destructive time-of-flight ion-cyclotron-resonance method. One of the main limitations to the experimental investigations is the low production rate of most of these exotic nuclides, for which the use of this detection scheme is not applicable. A sensitive and non-destructive method, like the narrow-band Fourier Transform ion-cyclotron-resonance technique, is ideally suited for the identification and characterization of these species. A new cryogenic trap setup for SHIPTRAP exploiting this detection technique as well as some results of first preparatory tests are presented.

  7. Improved ion optics for introduction of ions into a 9.4-T Fourier transform ion cyclotron resonance mass spectrometer

    DOE PAGES

    Chen, Yu; Leach, Franklin E.; Kaiser, Nathan K.; ...

    2015-01-19

    Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry provides unparalleled mass accuracy and resolving power.[1],[2] With electrospray ionization (ESI), ions are typically transferred into the mass spectrometer through a skimmer, which serves as a conductance-limiting orifice. However, the skimmer allows only a small fraction of incoming ions to enter the mass spectrometer. An ion funnel, originally developed by Smith and coworkers at Pacific Northwest National Laboratory (PNNL)[3-5] provides much more efficient ion focusing and transfer. The large entrance aperture of the ion funnel allows almost all ions emanating from a heated capillary to be efficiently captured and transferred, resulting inmore » nearly lossless transmission.« less

  8. Liquid chromatography-Fourier transform ion cyclotron resonance mass spectrometric characterization of protein kinase C phosphorylation.

    PubMed

    Chalmers, Michael J; Quinn, John P; Blakney, Greg T; Emmett, Mark R; Mischak, Harold; Gaskell, Simon J; Marshall, Alan G

    2003-01-01

    A vented column, capillary liquid chromatography (LC) microelectrospray ionization (ESI) Fourier transform ion cyclotron resonance (FT-ICR (9.4 T)) mass spectrometry (MS) approach to phosphopeptide identification is described. A dual-ESI source capable of rapid (approximately 200 ms) switching between two independently controlled ESI emitters was constructed. The dual-ESI source, combined with external ion accumulation in a linear octopole ion trap, allowed for internal calibration of every mass spectrum during LC. LC ESI FT-ICR positive-ion MS of protein kinase C (PKC) revealed four previously unidentified phosphorylated peptides (one within PKC(alpha), one within PKC(delta), and two within PKC(zeta)). Internal calibration improved the mass accuracy for LC MS spectra from an absolute mean (47 peptide ions) of 11.5 ppm to 1.5 ppm. Five additional (out of eight known) activating sites of PKC phosphorylation, not detected in positive-ion experiments, were observed by subsequent negative-ion direct infusion nanoelectrospray. Extension of the method to enable infrared multiphoton dissociation of all ions in the ICR cell prior to every other mass measurement revealed the diagnostic neutral loss of H3PO4 from phosphorylated peptide ions. The combination of accurate-mass MS and MS/MS offers a powerful new tool for identifying the presence and site(s) of phosphorylation in peptides, without the need for additional wet chemical derivatization.

  9. Manipulating internal energy of protonated biomolecules in electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry.

    PubMed

    Guo, Xinghua; Duursma, Marc C; Kistemaker, Piet G; Nibbering, Nico M M; Vekey, Karoly; Drahos, Laszlo; Heeren, Ron M A

    2003-06-01

    The internal energy of protonated leucine enkephalin has been manipulated in electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry with two newly designed pump-probe experiments. Blackbody infrared radiation was applied to pump an ion population into a well-defined internal energy distribution below the dissociation threshold. Following this pumping stage, the internal energy distribution was probed using on-resonance collisional activation to dissociate the ions. These pump-probe experiments were carried out in two different ways: (a) using on-resonance collisional activation with variable kinetic energies to dissociate the ions at a constant initial ion temperature (determining the precursor ion survival percentage as a function of kinetic energy) and (b) using on-resonance collisional activation with a constant kinetic energy to dissociate the ions at variable initial ion temperatures (to investigate the ion survival yield-initial ion temperature dependence). Using this approach, a detailed study of the effects of the initial ion temperature, the probing kinetic energy and the internal energy loss rate on the effective conversion efficiency of (laboratory-frame) kinetic energy to internal energy was conducted. This conversion efficiency was found to be dependent on the initial ion temperature. Depending on the experimental conditions the conversion efficiency (for collisions with argon) was estimated to be about 4.0 +/- 1.7%, which agrees with that obtained from a theoretical modeling. Finally, the reconstructed curves of the ion survival yield versus the mode of the (final) total internal energy distribution of the activated ion population (after pump and probe events) at different pump-probe conditions reveal the internal energy content of the activated ions. Copyright 2003 John Wiley & Sons, Ltd.

  10. Application of Fourier transform ion cyclotron resonance mass spectrometry to oligosaccharides.

    PubMed

    Park, Youmie; Lebrilla, Carlito B

    2005-01-01

    The application of Fourier transform ion cyclotron resonance mass spectrometry (FTICR MS) to the structural elucidation of oligosaccharides is described. This review covers the analyses of oligosaccharides in the context of the unique features of FTICR MS and the improvements in instrumentation that make it possible to study this class of compounds. It consists of work performed initially to understand the fundamental aspects of oligosaccharide ionization and unimolecular fragmentation. More recent investigation includes the application of the technique to samples of direct biological origin. Chemical and enzymatic degradation methods in conjunction with mass spectrometry (MS) and the use front-end methods with FTICR MS are also discussed. The current applications including the characterization of bacterial lipooligosaccharides and phosporylated carbohydrates are described.

  11. Fourier Transform Mass Spectrometry.

    ERIC Educational Resources Information Center

    Gross, Michael L.; Rempel, Don L.

    1984-01-01

    Discusses the nature of Fourier transform mass spectrometry and its unique combination of high mass resolution, high upper mass limit, and multichannel advantage. Examines its operation, capabilities and limitations, applications (ion storage, ion manipulation, ion chemistry), and future applications and developments. (JN)

  12. Performance Evaluation of a Dual Linear Ion Trap-Fourier Transform Ion Cyclotron Resonance Mass Spectrometer for Proteomics Research

    PubMed Central

    Weisbrod, Chad R.; Hoopmann, Michael R.; Senko, Michael W.; Bruce, James E.

    2014-01-01

    A novel dual cell linear ion trap Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) and its performance characteristics are reported. A linear ion trap-Fourier transform ion cyclotron resonance mass spectrometer has been modified to incorporate a LTQ-Velos mass spectrometer. This modified instrument features efficient ion accumulation and fast MS/MS acquisition capabilities of dual cell linear RF ion trap instruments coupled to the high mass accuracy, resolution, and dynamic range of a FT-ICR for improved proteomic coverage. The ion accumulation efficiency is demonstrated to be an order of magnitude greater than that observed with LTQ-FT Ultra instrumentation. The proteome coverage with yeast was shown to increase over the previous instrument generation by 50% (100% increase on the peptide level). In addition, many lower abundance level yeast proteins were only detected with this modified instrument. This novel configuration also enables beam type CID fragmentation using a dual cell RF ion trap mass spectrometer. This technique involves accelerating ions between traps while applying an elevated DC offset to one of the traps to accelerate ions and induce fragmentation. This instrument design may serve as a useful option for labs currently considering purchasing new instrumentation or upgrading existing instruments. PMID:23590889

  13. Fourier Transform Ion Cyclotron Resonance Mass Spectrometry at the Cyclotron Frequency

    NASA Astrophysics Data System (ADS)

    Nagornov, Konstantin O.; Kozhinov, Anton N.; Tsybin, Yury O.

    2017-02-01

    The phenomenon of ion cyclotron resonance allows for determining mass-to-charge ratio, m/z, of an ensemble of ions by means of measurements of their cyclotron frequency, ω c . In Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS), the ω c quantity is usually unavailable for direct measurements: the resonant state is located close to the reduced cyclotron frequency (ω+), whereas the ω c and the corresponding m/z values may be calculated via theoretical derivation from an experimental estimate of the ω+ quantity. Here, we describe an experimental observation of a new resonant state, which is located close to the ω c frequency and is established because of azimuthally-dependent trapping electric fields of the recently developed ICR cells with narrow aperture detection electrodes. We show that in mass spectra, peaks close to ω+ frequencies can be reduced to negligible levels relative to peaks close to ω c frequencies. Due to reduced errors with which the ω c quantity is obtained, the new resonance provides a means of cyclotron frequency measurements with precision greater than that achieved when ω+ frequency peaks are employed. The described phenomenon may be considered for a development into an FT-ICR MS technology with increased mass accuracy for applications in basic research, life, and environmental sciences.

  14. Fourier Transform Ion Cyclotron Resonance Mass Spectrometry at the Cyclotron Frequency.

    PubMed

    Nagornov, Konstantin O; Kozhinov, Anton N; Tsybin, Yury O

    2017-04-01

    The phenomenon of ion cyclotron resonance allows for determining mass-to-charge ratio, m/z, of an ensemble of ions by means of measurements of their cyclotron frequency, ω c . In Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS), the ω c quantity is usually unavailable for direct measurements: the resonant state is located close to the reduced cyclotron frequency (ω+), whereas the ω c and the corresponding m/z values may be calculated via theoretical derivation from an experimental estimate of the ω+ quantity. Here, we describe an experimental observation of a new resonant state, which is located close to the ω c frequency and is established because of azimuthally-dependent trapping electric fields of the recently developed ICR cells with narrow aperture detection electrodes. We show that in mass spectra, peaks close to ω+ frequencies can be reduced to negligible levels relative to peaks close to ω c frequencies. Due to reduced errors with which the ω c quantity is obtained, the new resonance provides a means of cyclotron frequency measurements with precision greater than that achieved when ω+ frequency peaks are employed. The described phenomenon may be considered for a development into an FT-ICR MS technology with increased mass accuracy for applications in basic research, life, and environmental sciences. Graphical Abstract ᅟ.

  15. Determination of Collision Cross Sections Using a Fourier Transform Electrostatic Linear Ion Trap Mass Spectrometer.

    PubMed

    Dziekonski, Eric T; Johnson, Joshua T; Lee, Kenneth W; McLuckey, Scott A

    2017-07-11

    Collision cross sections (CCSs) were determined from the frequency-domain linewidths in a Fourier transform electrostatic linear ion trap. With use of an ultrahigh-vacuum precision leak valve and nitrogen gas, transients were recorded as the background pressure in the mass analyzer chamber was varied between 4× 10(-8) and 7 × 10(-7) Torr. The energetic hard-sphere ion-neutral collision model, described by Xu and coworkers, was used to relate the recorded image charge to the CCS of the molecule. In lieu of our monoisotopically isolating the mass of interest, the known relative isotopic abundances were programmed into the Lorentzian fitting algorithm such that the linewidth was extracted from a sum of Lorentzians. Although this works only if the isotopic distribution is known a priori, it prevents ion loss, preserves the high signal-to-noise ratio, and minimizes the experimental error on our homebuilt instrument. Six tetraalkylammonium cations were used to correlate the CCS measured in the electrostatic linear ion trap with that measured by drift-tube ion mobility spectrometry, for which there was an excellent correlation (R (2) ≈ 0.9999). Although the absolute CCSs derived with our method differ from those reported, the extracted linear correlation can be used to correct the raw CCS. With use of [angiotensin II](2+) and reserpine, the corrected CCSs (334.9 ± 2.1 and 250.1 ± 0.5, respectively) were in good agreement with the reported ion mobility spectrometry CCSs (335 and 254.3, respectively). With sufficient signal-to-noise ratio, the CCSs determined are reproducible to within a fraction of a percent, comparable to the uncertainties reported on dedicated ion mobility instruments. Graphical Abstract ᅟ.

  16. Determination of Collision Cross Sections Using a Fourier Transform Electrostatic Linear Ion Trap Mass Spectrometer

    NASA Astrophysics Data System (ADS)

    Dziekonski, Eric T.; Johnson, Joshua T.; Lee, Kenneth W.; McLuckey, Scott A.

    2017-07-01

    Collision cross sections (CCSs) were determined from the frequency-domain linewidths in a Fourier transform electrostatic linear ion trap. With use of an ultrahigh-vacuum precision leak valve and nitrogen gas, transients were recorded as the background pressure in the mass analyzer chamber was varied between 4× 10-8 and 7 × 10-7 Torr. The energetic hard-sphere ion-neutral collision model, described by Xu and coworkers, was used to relate the recorded image charge to the CCS of the molecule. In lieu of our monoisotopically isolating the mass of interest, the known relative isotopic abundances were programmed into the Lorentzian fitting algorithm such that the linewidth was extracted from a sum of Lorentzians. Although this works only if the isotopic distribution is known a priori, it prevents ion loss, preserves the high signal-to-noise ratio, and minimizes the experimental error on our homebuilt instrument. Six tetraalkylammonium cations were used to correlate the CCS measured in the electrostatic linear ion trap with that measured by drift-tube ion mobility spectrometry, for which there was an excellent correlation (R 2 ≈ 0.9999). Although the absolute CCSs derived with our method differ from those reported, the extracted linear correlation can be used to correct the raw CCS. With use of [angiotensin II]2+ and reserpine, the corrected CCSs (334.9 ± 2.1 and 250.1 ± 0.5, respectively) were in good agreement with the reported ion mobility spectrometry CCSs (335 and 254.3, respectively). With sufficient signal-to-noise ratio, the CCSs determined are reproducible to within a fraction of a percent, comparable to the uncertainties reported on dedicated ion mobility instruments.

  17. Identification of sites of ubiquitination in proteins: a fourier transform ion cyclotron resonance mass spectrometry approach.

    PubMed

    Cooper, Helen J; Heath, John K; Jaffray, Ellis; Hay, Ronald T; Lam, Tukiet T; Marshall, Alan G

    2004-12-01

    Structural elucidation of posttranslationally modified peptides and proteins is of key importance in the understanding of an array of biological processes. Ubiquitination is a reversible modification that regulates many cellular functions. Consequences of ubiquitination depend on whether a single ubiquitin or polyubiquitin chain is added to the tagged protein. The lysine residue through which the polyubiquitin chain is formed is also critical for biological activity. Robust methods are therefore required to identify sites of ubiquitination modification, both in the target protein and in ubiquitin. Here, we demonstrate the suitability of Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry, in conjunction with activated ion electron capture dissociation (AI ECD) or infrared multiphoton dissociation (IRMPD), for the analysis of ubiquitinated proteins. Polyubiquitinated substrate protein GST-Ubc5 was generated in vitro. Tryptic digests of polyubiquitinated species contain modified peptides in which the ubiquitin C-terminal Gly-Gly residues are retained on the modified lysine residues. Direct infusion microelectrospray FT-ICR of the digest and comparison with an in silico digest enables identification of modified peptides and therefore sites of ubiquitination. Fifteen sites of ubiquitination were identified in GST-Ubc5 and four sites in ubiquitin. Assignments were confirmed by AI ECD or IRMPD. The Gly-Gly modification is stable and both tandem mass spectrometric techniques are suitable, providing extensive sequence coverage and retention of the modification on backbone fragments.

  18. A gain and bandwidth enhanced transimpedance preamplifier for Fourier-transform ion cyclotron resonance mass spectrometry

    PubMed Central

    Lin, Tzu-Yung; Green, Roger J.; O'Connor, Peter B.

    2011-01-01

    The nature of the ion signal from a 12-T Fourier-transform ion cyclotron resonance mass spectrometer and the electronic noise were studied to further understand the electronic detection limit. At minimal cost, a new transimpedance preamplifier was designed, computer simulated, built, and tested. The preamplifier design pushes the electronic signal-to-noise performance at room temperature to the limit, because of its enhanced tolerance of the capacitance of the detection device, lower intrinsic noise, and larger flat mid-band gain (input current noise spectral density of around 1 pA/\\documentclass[12pt]{minimal}\\begin{document}$\\sqrt{\\mbox{Hz}}$\\end{document}Hz when the transimpedance is about 85 dBΩ). The designed preamplifier has a bandwidth of ∼3 kHz to 10 MHz, which corresponds to the mass-to-charge ratio, m/z, of approximately 18 to 61 k at 12 T. The transimpedance and the bandwidth can be easily adjusted by changing the value of passive components. The feedback limitation of the circuit is discussed. With the maximum possible transimpedance of 5.3 MΩ when using an 0402 surface mount resistor, the preamplifier was estimated to be able to detect ∼110 charges in a single scan. PMID:22225232

  19. 21 Tesla Fourier Transform Ion Cyclotron Resonance Mass Spectrometer Greatly Expands Mass Spectrometry Toolbox

    NASA Astrophysics Data System (ADS)

    Shaw, Jared B.; Lin, Tzu-Yung; Leach, Franklin E.; Tolmachev, Aleksey V.; Tolić, Nikola; Robinson, Errol W.; Koppenaal, David W.; Paša-Tolić, Ljiljana

    2016-12-01

    We provide the initial performance evaluation of a 21 Tesla Fourier transform ion cyclotron resonance mass spectrometer operating at the Environmental Molecular Sciences Laboratory at the Pacific Northwest National Laboratory. The spectrometer constructed for the 21T system employs a commercial dual linear ion trap mass spectrometer coupled to a FTICR spectrometer designed and built in-house. Performance gains from moving to higher magnetic field strength are exemplified by the measurement of peptide isotopic fine structure, complex natural organic matter mixtures, and large proteins. Accurate determination of isotopic fine structure was demonstrated for doubly charged Substance P with minimal spectral averaging, and 8158 molecular formulas assigned to Suwannee River Fulvic Acid standard with root-mean-square (RMS) error of 10 ppb. We also demonstrated superior performance for intact proteins; namely, broadband isotopic resolution of the entire charge state distribution of apo-transferrin (78 kDa) and facile isotopic resolution of monoclonal antibody under a variety of acquisition parameters (e.g., 6 s time-domains with absorption mode processing yielded resolution of approximately 1 M at m/z = 2700).

  20. 21 Tesla Fourier Transform Ion Cyclotron Resonance Mass Spectrometer Greatly Expands Mass Spectrometry Toolbox

    SciTech Connect

    Shaw, Jared B.; Lin, Tzu-Yung; Leach, Franklin E.; Tolmachev, Aleksey V.; Tolić, Nikola; Robinson, Errol W.; Koppenaal, David W.; Paša-Tolić, Ljiljana

    2016-10-12

    We provide the initial performance evaluation of a 21 Tesla Fourier transform ion cyclotron resonance mass spectrometer operating at the Environmental Molecular Sciences Laboratory at Pacific Northwest National Laboratory. The spectrometer constructed for the 21T system employs a commercial dual linear ion trap mass spectrometer coupled to a FTICR spectrometer designed and built in-house. Performance gains from moving to higher magnetic field strength are exemplified by the measurement of peptide isotopic fine structure, complex natural organic matter mixtures, and large proteins. Accurate determination of isotopic fine structure was demonstrated for doubly charged substance P with minimal spectral averaging, and 8,158 molecular formulas assigned to Suwannee River Fulvic Acid standard with RMS error of 10 ppb. We also demonstrated superior performance for intact proteins; namely, broadband isotopic resolution of the entire charge state distribution of apotransferrin (78 kDa) and facile isotopic resolution of monoclonal antibody under a variety of acquisition parameters (e.g. 6 s time-domains with absorption mode processing yielded resolution of approximately 1M at m/z =2,700).

  1. Towards analytically useful two-dimensional Fourier transform ion cyclotron resonance mass spectrometry.

    PubMed

    van Agthoven, Maria A; Delsuc, Marc-André; Bodenhausen, Geoffrey; Rolando, Christian

    2013-01-01

    Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry (MS) achieves high resolution and mass accuracy, allowing the identification of the raw chemical formulae of ions in complex samples. Using ion isolation and fragmentation (MS/MS), we can obtain more structural information, but MS/MS is time- and sample-consuming because each ion must be isolated before fragmentation. In 1987, Pfändler et al. proposed an experiment for 2D FT-ICR MS in order to fragment ions without isolating them and to visualize the fragmentations of complex samples in a single 2D mass spectrum, like 2D NMR spectroscopy. Because of limitations of electronics and computers, few studies have been conducted with this technique. The improvement of modern computers and the use of digital electronics for FT-ICR hardware now make it possible to acquire 2D mass spectra over a broad mass range. The original experiments used in-cell collision-induced dissociation, which caused a loss of resolution. Gas-free fragmentation modes such as infrared multiphoton dissociation and electron capture dissociation allow one to measure high-resolution 2D mass spectra. Consequently, there is renewed interest to develop 2D FT-ICR MS into an efficient analytical method. Improvements introduced in 2D NMR spectroscopy can also be transposed to 2D FT-ICR MS. We describe the history of 2D FT-ICR MS, introduce recent improvements, and present analytical applications to map the fragmentation of peptides. Finally, we provide a glossary which defines a few keywords for the 2D FT-ICR MS field.

  2. Method for calibrating a Fourier transform ion cyclotron resonance mass spectrometer

    DOEpatents

    Smith, Richard D.; Masselon, Christophe D.; Tolmachev, Aleksey

    2003-08-19

    A method for improving the calibration of a Fourier transform ion cyclotron resonance mass spectrometer wherein the frequency spectrum of a sample has been measured and the frequency (f) and intensity (I) of at least three species having known mass to charge (m/z) ratios and one specie having an unknown (m/z) ratio have been identified. The method uses the known (m/z) ratios, frequencies, and intensities at least three species to calculate coefficients A, B, and C, wherein the mass to charge ratio of a least one of the three species (m/z).sub.i is equal to ##EQU1## wherein f.sub.i is the detected frequency of the specie, G(I.sub.i) is a predetermined function of the intensity of the species, and Q is a predetermined exponent. Using the calculated values for A, B, and C, the mass to charge ratio of the unknown specie (m/z).sub.ii is calculated as the sum of ##EQU2## wherein f.sub.ii is the measured frequency of the unknown specie, and (I.sub.ii) is the measured intensity of the unknown specie.

  3. High-Throughput Metabolic Profiling of Soybean Leaves by Fourier Transform Ion Cyclotron Resonance Mass Spectrometry.

    PubMed

    Yilmaz, Ali; Rudolph, Heather L; Hurst, Jerod J; Wood, Troy D

    2016-01-19

    As a relatively recent research field, plant metabolomics has gained increasing interest in the past few years and has been applied to answer biological questions through large-scale qualitative and quantitative analyses of the plant metabolome. The combination of sensitivity and selectivity offered by mass spectrometry (MS) for measurement of many metabolites in a single shot makes it an indispensable platform in metabolomics. In this regard, Fourier-transform ion cyclotron resonance (FTICR) has the unique advantage of delivering high mass resolving power and mass accuracy simultaneously, making it ideal for the study of complex mixtures such as plant extracts. Here we optimize soybean leaf extraction methods compatible with high-throughput reproducible MS-based metabolomics. In addition, matrix-assisted laser desorption ionization (MALDI) and direct LDI of soybean leaves are compared for metabolite profiling. The extraction method combined with electrospray (ESI)-FTICR is supported by the significant reduction of chlorophyll and its related metabolites as the growing season moves from midsummer to the autumn harvest day. To our knowledge for the first time, the use of ESI-FTICR MS and MALDI-FTICR MS is described in a complementary manner with the aim of metabolic profiling of plant leaves that have been collected at different time points during the growing season.

  4. A 3T external source quadrupole Fourier transform mass spectrometer for ion/molecule reactions and analysis

    NASA Astrophysics Data System (ADS)

    McCullough, Sési M.; Gard, Eric; Lebrilla, Carlito B.

    1991-06-01

    A versatile quadrupole Fourier transform mass spectrometry instrument for both ion/molecule chemistry and analysis is described. Preliminary results show that despite the relatively low field (3T), a large mass range (up to m/z 16 000) and high resolution (41 000 FWHH at m/z 1692) are obtained. Metal ions (e.g. Fe+) for ion/molecule chemistry and organic ions (e.g. maltose) for analysis are routinely produced via secondary ion mass spectrometry (and liquid secondary ion mass spectrometry) in the external source.

  5. Determination of Peptide and Protein Ion Charge States by Fourier Transformation of Isotope-Resolved Mass Spectra

    SciTech Connect

    Tabb, Dave L; Shah, Manesh B; Strader, Michael B; Connelly, Heather M; Hettich, Robert {Bob} L; Hurst, Gregory {Greg} B

    2006-01-01

    We report an automated method for determining charge states from high-resolution mass spectra. Fourier transforms of isotope packets from high-resolution mass spectra are compared to Fourier transforms of modeled isotopic peak packets for a range of charge states. The charge state for the experimental ion packet is determined by the model isotope packet that yields the best match in the comparison of the Fourier transforms. This strategy is demonstrated for determining peptide ion charge states from 'zoom scan' data from a linear quadrupole ion trap mass spectrometer, enabling the subsequent automated identification of singly-through quadruply-charged peptide ions, while reducing the numbers of conflicting identifications from ambiguous charge state assignments. We also apply this technique to determine the charges of intact protein ions from LC-FTICR data, demonstrating that it is more sensitive under these experimental conditions than two existing algorithms. The strategy outlined in this paper should be generally applicable to mass spectra obtained from any instrument capable of isotopic resolution.

  6. Nontargeted metabolome analysis by use of Fourier Transform Ion Cyclotron Mass Spectrometry.

    PubMed

    Aharoni, Asaph; Ric de Vos, C H; Verhoeven, Harrie A; Maliepaard, Chris A; Kruppa, Gary; Bino, Raoul; Goodenowe, Dayan B

    2002-01-01

    Advanced functional genomic tools now allow the parallel and high-throughput analyses of gene and protein expression. Although this information is crucial to our understanding of gene function, it offers insufficient insight into phenotypic changes associated with metabolism. Here we introduce a high-capacity Fourier Transform Ion Cyclotron Mass Spectrometry (FTMS)-based method, capable of nontargeted metabolic analysis and suitable for rapid screening of similarities and dissimilarities in large collections of biological samples (e.g., plant mutant populations). Separation of the metabolites was achieved solely by ultra-high mass resolution; Identification of the putative metabolite or class of metabolites to which it belongs was achieved by determining the elemental composition of the metabolite based upon the accurate mass determination; and relative quantitation was achieved by comparing the absolute intensities of each mass using internal calibration. Crude plant extracts were introduced via direct (continuous flow) injection and ionized by either electrospray ionization (ESI) or atmospheric pressure chemical ionization (APCI) in both positive or negative ionization modes. We first analyzed four consecutive stages of strawberry fruit development and identified changes in the levels of a large range of masses corresponding to known fruit metabolites. The data also revealed novel information on the metabolic transition from immature to ripe fruit. In another set of experiments, the method was used to track changes in metabolic profiles of tobacco flowers overexpressing a strawberry MYB transcription factor and altered in petal color. Only nine masses appeared different between transgenic and control plants, among which was the mass corresponding to cyanidin-3-rhamnoglucoside, the main flower pigment. The results demonstrate the feasibility and utility of the FTMS approach for a nontargeted and rapid metabolic "fingerprinting," which will greatly speed up current

  7. Towards high-throughput metabolomics using ultrahigh-field Fourier transform ion cyclotron resonance mass spectrometry

    PubMed Central

    Han, Jun; Danell, Ryan M.; Patel, Jayanti R.; Gumerov, Dmitry R.; Scarlett, Cameron O.; Speir, J. Paul; Parker, Carol E.; Rusyn, Ivan; Zeisel, Steven; Borchers, Christoph H.

    2008-01-01

    With unmatched mass resolution, mass accuracy, and exceptional detection sensitivity, Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FTICR-MS) has the potential to be a powerful new technique for high-throughput metabolomic analysis. In this study, we examine the properties of an ultrahigh-field 12-Tesla (12T) FTICR-MS for the identification and absolute quantitation of human plasma metabolites, and for the untargeted metabolic fingerprinting of inbred-strain mouse serum by direct infusion (DI). Using internal mass calibration (mass error ≤1 ppm), we determined the rational elemental compositions (incorporating unlimited C, H, N and O, and a maximum of two S, three P, two Na, and one K per formula) of approximately 250 out of 570 metabolite features detected in a 3-min infusion analysis of aqueous extract of human plasma, and were able to identify more than 100 metabolites. Using isotopically-labeled internal standards, we were able to obtain excellent calibration curves for the absolute quantitation of choline with sub-pmol sensitivity, using 500 times less sample than previous LC/MS analyses. Under optimized serum dilution conditions, chemical compounds spiked into mouse serum as metabolite mimics showed a linear response over a 600-fold concentration range. DI/FTICR-MS analysis of serum from 26 mice from 2 inbred strains, with and without acute trichloroethylene (TCE) treatment, gave a relative standard deviation (RSD) of 4.5%. Finally, we extended this method to the metabolomic fingerprinting of serum samples from 49 mice from 5 inbred strains involved in an acute alcohol toxicity study, using both positive and negative electrospray ionization (ESI). Using these samples, we demonstrated the utility of this method for high-throughput metabolomics, with more than 400 metabolites profiled in only 24 h. Our experiments demonstrate that DI/FTICR-MS is well-suited for high-throughput metabolomic analysis. PMID:19081807

  8. Structural characterization of phospholipids by matrix-assisted laser desorption/ionization Fourier transform ion cyclotron resonance mass spectrometry.

    PubMed

    Marto, J A; White, F M; Seldomridge, S; Marshall, A G

    1995-11-01

    Matrix-assisted laser desorption/ionization (MALDI) Fourier transform ion cyclotron resonance mass spectrometry provides for structural analysis of the principal biological phospholipids: glycerophosphatidylcholine, -ethanolamine, -serine, and -inositol. Both positive and negative molecular or quasimolecular ions are generated in high abundance. Isolated molecular ions may be collisionally activated in the source side of a dual trap mass analyzer, yielding fragments serving to identify the polar head group (positive ion mode) and fatty acid side chains (negative ion mode). Azimuthal quadrupolar excitation following collisionally activated dissociation refocuses productions close to the solenoid axis; subsequent transfer of product ions to the analyzer ion trap allows for high-resolution mass analysis. Cyro-cooling of the sample probe with liquid nitrogen greatly reduces matrix adduction encountered in the negative ion mode.

  9. Fourier Transform Ion Cyclotron Resonance Mass Resolution and Dynamic Range Limits Calculated by Computer Modeling of Ion Cloud Motion

    NASA Astrophysics Data System (ADS)

    Vladimirov, Gleb; Hendrickson, Christopher L.; Blakney, Greg T.; Marshall, Alan G.; Heeren, Ron M. A.; Nikolaev, Eugene N.

    2012-02-01

    Particle-in-Cell (PIC) ion trajectory calculations provide the most realistic simulation of Fourier transform ion cyclotron resonance (FT-ICR) experiments by efficient and accurate calculation of the forces acting on each ion in an ensemble (cloud), including Coulomb interactions (space charge), the electric field of the ICR trap electrodes, image charges on the trap electrodes, the magnetic field, and collisions with neutral gas molecules. It has been shown recently that ion cloud collective behavior is required to generate an FT-ICR signal and that two main phenomena influence mass resolution and dynamic range. The first is formation of an ellipsoidal ion cloud (termed "condensation") at a critical ion number (density), which facilitates signal generation in an FT-ICR cell of arbitrary geometry because the condensed cloud behaves as a quasi-ion. The second phenomenon is peak coalescence. Ion resonances that are closely spaced in m/z coalesce into one resonance if the ion number (density) exceeds a threshold that depends on magnetic field strength, ion cyclotron radius, ion masses and mass difference, and ion initial spatial distribution. These two phenomena decrease dynamic range by rapid cloud dephasing at small ion density and by cloud coalescence at high ion density. Here, we use PIC simulations to quantitate the dependence of coalescence on each critical parameter. Transitions between independent and coalesced motion were observed in a series of the experiments that systematically varied ion number, magnetic field strength, ion radius, ion m/z, ion m/z difference, and ion initial spatial distribution (the present simulations begin from elliptically-shaped ion clouds with constant ion density distribution). Our simulations show that mass resolution is constant at a given magnetic field strength with increasing ion number until a critical value (N) is reached. N dependence on magnetic field strength, cyclotron radius, ion mass, and difference between ion masses

  10. Collision Cross Sections for 20 Protonated Amino Acids: Fourier Transform Ion Cyclotron Resonance and Ion Mobility Results

    NASA Astrophysics Data System (ADS)

    Anupriya; Jones, Chad A.; Dearden, David V.

    2016-08-01

    We report relative dephasing cross sections for the 20 biogenic protonated amino acids measured using the cross sectional areas by Fourier transform ion cyclotron resonance (CRAFTI) technique at 1.9 keV in the laboratory reference frame, as well as momentum transfer cross sections for the same ions computed from Boltzmann-weighted structures determined using molecular mechanics. Cross sections generally increase with increasing molecular weight. Cross sections for aliphatic and aromatic protonated amino acids are larger than the average trend, suggesting these side chains do not fold efficiently. Sulfur-containing protonated amino acids have smaller than average cross sections, reflecting the mass of the S atom. Protonated amino acids that can internally hydrogen-bond have smaller than average cross sections, reflecting more extensive folding. The CRAFTI measurements correlate well with results from drift ion mobility (IMS) and traveling wave ion mobility (TWIMS) spectrometric measurements; CRAFTI results correlate with IMS values approximately as well as IMS and TWIMS values from independent measurements correlate with each other. Both CRAFTI and IMS results correlate well with the computed momentum transfer cross sections, suggesting both techniques provide accurate molecular structural information. Absolute values obtained using the various methods differ significantly; in the case of CRAFTI, this may be due to errors in measurements of collision gas pressure, measurement of excitation voltage, and/or dependence of cross sections on kinetic energy.

  11. Aging effects on macadamia nut oil studied by electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry.

    PubMed

    Proschogo, Nicholas W; Albertson, Peter L; Bursle, Johanna; McConchie, Cameron A; Turner, Athol G; Willett, Gary D

    2012-02-29

    High-resolution electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry is successfully used in the detailed molecular analysis of aged macadamia nut oils. The results are consistent with peroxide values, the current industry measure for rancidity, and provide detailed molecular information on the oxidative and hydrolytic degeneration of such oils. Mass analysis of macadamia oil samples stored for extended periods at 6 °C revealed that oils obtained by the cold press method are more susceptible to aging than those obtained using modified Soxhlet or accelerated solvent extraction methods.

  12. Electrospray ionization Fourier transform ion cyclotron resonance mass spectrometric analysis of metal-ion selected dynamic protein libraries.

    PubMed

    Cooper, Helen J; Case, Martin A; McLendon, George L; Marshall, Alan G

    2003-05-07

    The application of electrospray ionization (ESI) Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry to the investigation of the relative stabilities (and thus packing efficiencies) of Fe-bound trihelix peptide bundles is demonstrated. Small dynamic protein libraries are created by metal-ion assisted assembly of peptide subunits. Control of the trimeric aggregation state is coupled to stability selection by exploiting the coordination requirements of Fe(2+) in the presence of bidentate 2,2'-bipyridyl ligands covalently appended to the peptide monomers. At limiting metal-ion concentration, the most thermodynamically stable, optimally packed peptide trimers dominate the mass spectrum. The identities of optimally stable candidate trimers observed in the ESI FT-ICR mass spectra are confirmed by resynthesis of exchange-inert analogues and measurement of their folding free energies. The peptide composition of the trimers may be determined by infrared multiphoton dissociation (IRMPD) MS(3) experiments. Additional sequence information for the peptide subunits is obtained from electron capture dissociation (ECD) of peptides and metal-bound trimers. The experiments also suggest the presence of secondary structure in the gas phase, possibly due to partial retention of the solution-phase coiled coil structure.

  13. Reference Interferometer Using a Semiconductor Laser/LED Reference Source in a Cryogenic Fourier-Transform Spectrometer

    NASA Technical Reports Server (NTRS)

    Martino, Anthony J.; Cornwell, Donald M.

    1998-01-01

    A combination of a single mode AlGaAs laser diode and broadband LED was used in a Michelson interferometer to provide reference signals in a Fourier transform spectrometer, the Composite Infrared Spectrometer, on the Cassini mission to Saturn. The narrowband light from the laser produced continuous fringes throughout the travel of the interferometer, which were used to control the velocity of the scan mechanism and to trigger data sampling. The broadband light from the LED produced a burst of fringes at zero path difference, which was used as a fixed position reference. The system, including the sources, the interferometer, and the detectors, was designed to work both at room temperature and instrument operating temperature of 170 Kelvin. One major challenge that was overcome was preservation, from room temperature to 170 K, of alignment sufficient for high modulation of fringes from the broadband source. Another was the shift of the source spectra about 30 nm toward shorter wavelengths upon cooldown.

  14. Reference interferometer using a semiconductor laser/LED reference source in a cryogenic Fourier-transform spectrometer

    NASA Astrophysics Data System (ADS)

    Martino, Anthony J.; Cornwell, Donald M.

    1998-09-01

    A combination of a single mode AlGaAs laser diode and a broadband LED was used in a Michelson interferometer to provide reference signals in a Fourier transform spectrometer, the Composite Infrared Spectrometer, on the Cassini mission to Saturn. The narrowband light from a laser produced continuous fringe throughout the travel of the interferometer, which were used to control the velocity of the scan mechanism and to trigger data sampling. The broadband light from the LED produced a burst of fringes at zero path difference, which was used as a fixed position reference. The system, including the sources, the interferometer, and the detectors, was designed to work both at room temperature and at the instrument operating temperature of 170 Kelvin. One major challenge that was overcome was preservation, from room temperature to 170 K, of alignment sufficient for high modulation of fringes from the broadband source. Another was the shift of the source spectra about 30 nm toward shorter wavelengths upon cooldown.

  15. Central ring electrode for trapping and excitation/detection in Fourier transform ion cyclotron resonance mass spectrometry.

    PubMed

    Ostrander, C M; Arkin, C R; Laude, D

    2001-01-01

    The use of a central trapping ring electrode for Fourier transform ion cyclotron resonance (FTICR) mass spectrometry is demonstrated. Ions are trapped with an oppositely biased static potential superimposed on both the excite and detect electrodes and maintained throughout the experiment, including the application of a dipolar rf excite waveform and the image current ion detection event. The use of a central trapping electrode for FTICR coupled with an open cell design retains the advantages of high ion throughput and gas conductance, while simplifying the electrode geometry and reducing the overall dimensions of the cell. This allows the central trapping electrode to be of utility in volume-limited vacuum chambers including FTICR instrument miniaturization. Presented here are the preliminary experimental results using the central trapping electrode as an FTICR cell in which the excitation and detection electrodes also create a trapping depression to constrain the z-axis motion of the ions. The cell overcomes the principle limitation of an earlier single trapping electrode design by producing a 91% effective potential well depth compared to 19% for the single trapping electrode and 33% for standard open cells. This allows the central trapping electrode configuration to achieve an order of magnitude improvement in ion capacity compared to more conventional open cell designs.

  16. Initial velocity distribution of MALDI/LDI ions measured by internal MALDI source Fourier-transform ion cyclotron resonance mass spectrometry.

    PubMed

    Chagovets, Vitaliy; Frankevich, Vladimir; Zenobi, Renato

    2014-11-01

    A new method for measuring the ion velocity distribution using an internal matrix-assisted laser desorption/ionization (MALDI) source Fourier-transform ion cyclotron resonance (FT-ICR) mass spectrometer is described. The method provides the possibility of studying ion velocities without any influence of electric fields in the direction of the instrument axis until the ions reach the ICR cell. It also allows to simultaneously account for and to estimate not only the velocity distribution but the angular distribution as well. The method was demonstrated using several types of compounds in laser desorption/ionization (LDI) mode.

  17. Evaluation and optimization of electron capture dissociation efficiency in fourier transform ion cyclotron resonance mass spectrometry.

    PubMed

    McFarland, Melinda A; Chalmers, Michael J; Quinn, John P; Hendrickson, Christopher L; Marshall, Alan G

    2005-07-01

    Electron capture dissociation (ECD) efficiency has typically been lower than for other dissociation techniques. Here we characterize experimental factors that limit ECD and seek to improve its efficiency. Efficiency of precursor to product ion conversion was measured for a range of peptide (approximately 15% efficiency) and protein (approximately 33% efficiency) ions of differing sizes and charge states. Conversion of precursor ions to products depends on electron irradiation period and maximizes at approximately 5-30 ms. The optimal irradiation period scales inversely with charge state. We demonstrate that reflection of electrons through the ICR cell is more efficient and robust than a single pass, because electrons can cool to the optimal energy for capture, which allows for a wide range of initial electron energy. Further, efficient ECD with reflected electrons requires only a short (approximately 500 micros) irradiation period followed by an appropriate delay for cooling and interaction. Reflection of the electron beam results in electrons trapped in or near the ICR cell and thus requires a brief (approximately 50 micros) purge for successful mass spectral acquisition. Further electron irradiation of refractory precursor ions did not result in further dissociation. Possibly the ion cloud and electron beam are misaligned radially, or the electron beam diameter may be smaller than that of the ion cloud such that remaining precursor ions do not overlap with the electron beam. Several ion manipulation techniques and use of a large, movable dispenser cathode reduce the possibility that misalignment of the ion and electron beams limits ECD efficiency.

  18. Fourier transform infrared spectroscopy of azide and cyanate ion pairs in AOT reverse micelles

    NASA Astrophysics Data System (ADS)

    Owrutsky, Jeffrey C.; Pomfret, Michael B.; Barton, David J.; Kidwell, David A.

    2008-07-01

    Evidence for ion pair formation in aqueous bis(2-ethylhexyl) sulfosuccinate (AOT) reverse micelles (RMs) was obtained from infrared spectra of azide and cyanate with Li+, Na+, K+, and NH4+ counterions. The anions' antisymmetric stretching bands near 2000 cm-1 are shifted to higher frequency (blueshifted) in LiAOT and to a lesser extent in NaAOT, but they are very similar to those in bulk water with K+ and NH4+ as the counterions. The shifts are largest for low values of wo=[water]/[AOT] and approach the bulk value with increasing wo. The blueshifts are attributed to ion pairing between the anions and the counterions. This interpretation is reinforced by the similar trend (Li+>Na+>K+) for producing contact ion pairs with the metal cations in bulk dimethyl sulfoxide (DMSO) solutions. We find no evidence of ion pairs being formed in NH4AOT RMs, whereas ammonium does form ion pairs with azide and cyanate in bulk DMSO. Studies are also reported for the anions in formamide-containing AOT RMs, in which blueshifts and ion pair formation are observed more than in the aqueous RMs. Ion pairs are preferentially formed in confined RM systems, consistent with the well established ideas that RMs exhibit reduced polarity and a disrupted hydrogen bonding network compared to bulk water and that ion-specific effects are involved in mediating the structure of species at interfaces.

  19. Structure characterization of polyaromatic hydrocarbons in Arabian mix vacuum residue by electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry

    NASA Astrophysics Data System (ADS)

    Miyabayashi, Keiko; Naito, Yasuhide; Tsujimoto, Kazuo; Miyake, Mikio

    2004-06-01

    Molecular formulas of constituents in vacuum residue were characterized by Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS). Evaluation of electrospray ionization (ESI) ability for hydrocarbons by using model compounds indicates that aromatic compounds having more than two fused rings without functional group are detectable as molecular ions, while that basic nitrogen-containing compounds produce protonated ions in the ESI solvent of methanol/chloroform. Thus, even peaks appear for both hydrocarbons and nitrogen-containing compounds in methanol/chloroform. Although basic nitrogen compound detected selectively in mixture of equal molar concentration of hydrocarbons, hydrocarbon could be observed almost the same intensity when the concentration of nitrogen compounds was adjusted as low as that of Arabian mix vacuum residue (AM-VR: N 0.4 wt.%). When ESI solvent of methanol/chloroform/trifluoroacetic acid (TFA) was used, protonated hydrocarbons produced predominantly as odd peaks. Thus, it was revealed that peaks originating from nitrogen-containing compounds and hydrocarbons can be clearly distinguished by changing composition of ESI solvents. In application to AM-VR, protonated nitrogen-containing compounds ([CnH2n+ZN + H]+ and [CnH2n+ZNS + H]+; even masses) were observed selectively in methanol/chloroform, and both protonated nitrogen-containing compounds and protonated or sodium-cationized hydrocarbons ([M + H]+ or [M + Na]+; odd masses) were observed simultaneously in the solvent composition of methanol/chloroform/TFA.

  20. External Second Gate, Fourier Transform Ion Mobility Spectrometry: Parametric Optimization for Detection of Weapons of Mass Destruction

    PubMed Central

    Tarver, Edward E.

    2004-01-01

    Ion mobility spectrometry (IMS) is recognized as one of the most sensitive and robust techniques for the detection of narcotics, explosives and chemical warfare agents. IMS is widely used in forensic, military and security applications. Increasing threat of terrorist attacks, the proliferation of narcotics, Chemical Weapons Convention (CWC) treaty verification as well as humanitarian de-mining efforts have mandated that equal importance be placed on the time required to obtain results as well as the quality of the analytical data. [1] In this regard IMS is virtually unrivaled when both speed of response and sensitivity have to be considered. [2] The problem with conventional (signal averaging) IMS systems is the fixed duty cycle of the entrance gate that restricts to less than 1%, the number of available ions contributing to the measured signal. Furthermore, the signal averaging process incorporates scan-to-scan variations that degrade the spectral resolution contributing to misidentifications and false positives. With external second gate, Fourier Transform ion mobility spectrometry (FT-IMS) the entrance gate frequency is variable and can be altered in conjunction with other data acquisition parameters (scan time and sampling rate) to increase the spectral resolution to reduce false alarms and improve the sensitivity for early warning and contamination avoidance. In addition, with FT-IMS the entrance gate operates with a 50% duty cycle and so affords a seven-fold increase in sensitivity. Recent data on high explosives are presented to demonstrate the parametric optimization in sensitivity and resolution of our system.

  1. Ionization and fragmentation of humic substances in electrospray ionization Fourier transform-ion cyclotron resonance mass spectrometry.

    PubMed

    Stenson, Alexandra C; Landing, William M; Marshall, Alan G; Cooper, William T

    2002-09-01

    Electrospray ionization (ESI) was combined with ultra-high-resolution Fourier transform-ion cyclotron resonance mass spectrometry (FTICR MS) to characterize complex humic and fulvic acid mixtures. Lower than expected molecular weight distributions previously observed for humics when analyzed by ESI-MS have fueled speculation about a bias in favor of low molecular weight. Multiply charged ions, ionization suppression, and sample fragmentation have all been suggested as sources of this low molecular weight bias. In this work, resolution of the individual components of humic mixtures within a 1 mass-to-charge unit window was accomplished by FTICR MS at 9.4 T. At mass resolving powers between 60,000 (high mass) and 120,000 (low mass), it was possible to determine that virtually all ions present in spectra of Suwannee River fulvic and humic acid are singly charged, thus eliminating inadequate accounting for multiply charged ions as a primary source of any low molecular weight bias. The high-resolution mass spectra also revealed the presence of molecular families containing ions that differ from each other in degree of saturation, functional group substitution (primarily CH vs N and CH4 vs O), and number of CH2 groups. Ionization suppression and ion fragmentation were addressed for humic and fulvic acid mixtures and well-characterized poly(ethylene glycol) (PEG) mixtures with average molecular weights of 8000 and 10,000. Although these high molecular weight PEG mixtures fragment extensively under traditional positive-ion mode ESI conditions, similar fragmentation could not be confirmed for humic and fulvic acid mixtures.

  2. Clarification of pathway-specific inhibition by Fourier transform ion cyclotron resonance/mass spectrometry-based metabolic phenotyping studies.

    PubMed

    Oikawa, Akira; Nakamura, Yukiko; Ogura, Tomonori; Kimura, Atsuko; Suzuki, Hideyuki; Sakurai, Nozomu; Shinbo, Yoko; Shibata, Daisuke; Kanaya, Shigehiko; Ohta, Daisaku

    2006-10-01

    We have developed a metabolic profiling scheme based on direct-infusion Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR/MS). The scheme consists of: (1) reproducible data collection under optimized FT-ICR/MS analytical conditions; (2) automatic mass-error correction and multivariate analyses for metabolome characterization using a newly developed metabolomics tool (DMASS software); (3) identification of marker metabolite candidates by searching a species-metabolite relationship database, KNApSAcK; and (4) structural analyses by an MS/MS method. The scheme was applied to metabolic phenotyping of Arabidopsis (Arabidopsis thaliana) seedlings treated with different herbicidal chemical classes for pathway-specific inhibitions. Arabidopsis extracts were directly infused into an electrospray ionization source on an FT-ICR/MS system. Acquired metabolomics data were comprised of mass-to-charge ratio values with ion intensity information subjected to principal component analysis, and metabolic phenotypes from the herbicide treatments were clearly differentiated from those of the herbicide-free treatment. From each herbicide treatment, candidate metabolites representing such metabolic phenotypes were found through the KNApSAcK database search. The database search and MS/MS analyses suggested dose-dependent accumulation patterns of specific metabolites including several flavonoid glycosides. The metabolic phenotyping scheme on the basis of FT-ICR/MS coupled with the DMASS program is discussed as a general tool for high throughput metabolic phenotyping studies.

  3. Characterization of organic aerosol in Beijing by laser desorption ionization coupled with Fourier Transform Ion Cyclotron Resonance Mass spectrometry

    NASA Astrophysics Data System (ADS)

    Xue, Jinjuan; Li, Yafeng; Xie, Xiaobo; Xiong, Caiqiao; Liu, Huihui; Chen, Suming; Nie, Zongxiu; Chen, Chuncheng; Zhao, Jincai

    2017-06-01

    In order to resolve the organic compositions in the atmospheric aerosol which is significant for understanding the formation mechanism of particulate matter and their harm for human health, a direct laser desorption ionization (LDI) coupled with Fourier Transform Resonance Mass (FT-ICR MS) was utilized for characterizing the aerosol particles collected in Beijing during winter. A lot of organic compounds can be detected by direct laser desorption ionization of the aerosol particular with different size collected on aluminum foil without complicated sample pretreatment process. In addition, semi quantification of the organic compounds can be achieved with solvent extraction procedure. It was found that the ubiquitous polycyclic aromatic hydrocarbons (PAHs) contaminants in the aerosol could serve as matrix, which helps the detection of many kinds of compounds including highly saturated amphiphilic long alkyl chain compounds (carbon number>16), like aliphatic amines in positive ion mode and organosulfates in negative ion mode. Based on the accurate mass measurement results, elemental compositions of over 1500 peaks in the mass spectrum were derived, and we categorized them into five groups according to their elemental compositions in order to provide helpful information for tracing the pollution source. It is demonstrated that abundant information about the organic components in the atmospheric aerosol can be provided by direct LDI FT-ICR MS method, and these information will largely facilitate further studies on origin and formation process of the aerosol.

  4. On-Line Desalting of Crude Oil in the Source Region of a Fourier Transform Ion Cyclotron Resonance Mass Spectrometer

    NASA Astrophysics Data System (ADS)

    Chanthamontri, C. Ken; Stopford, Andrew P.; Snowdon, Ryan W.; Oldenburg, Thomas B. P.; Larter, Stephen R.

    2014-08-01

    The presence of dissolved metal ions in waters associated with crude oils has many negative implications for the transport, processing, and refining of petroleum. In addition, mass spectrometric analysis of sodium containing crude oil samples suffers from ionization suppression, unwanted adduct formation, and an increase in the complexity of data analysis. Here, we describe a method for the reduction/elimination of these adverse effects by modification of the source region gas-inlet system of a 12 T Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. Several acids were examined as part of this study, with the most suitable for on-line desalting found to have both high vapor pressure and low pKa; 12.1 M HCl showed the strongest desalting effect for crude oil samples with a sodium removal index (SRI) of 88%-100% ± 7% for the NaOS compound class. In comparison, a SRI of only 38% ± 9% was observed for a H2O/toluene solution-phase extraction of Oil 1. These results clearly demonstrate the increased efficacy of pseudo-vapor phase desalting with the additional advantages that initial sample solution conditions are preserved and no sample preparation is required prior to analysis.

  5. Fourier-Transform ion cyclotron mass spectrometry (FT-ICR MS)

    SciTech Connect

    Robinson, Errol W.

    2014-03-28

    FT-ICR MS achieves the highest resolution and best mass measurement accuracy of any mass spectrometry method. These remarkable achievements are due to several factors, including multi-channel detection, measurement of frequency, magnetic field stability, and dependence of cyclotron frequency on only the magnetic field and ion mass to charge ratio, not on ion kinetic energy and other factors. Significant advances in magnet technology, instrument design and construction continue to enhance the capabilities of FT-ICR MS. FT-ICR has been applied to a variety of analytical challenges and is particularly suited to the analysis of complex mixtures and in applications where high resolution and mass measurement accuracy are critical analytical parameters.

  6. Lithium-ion battery electrolyte emissions analyzed by coupled thermogravimetric/Fourier-transform infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Bertilsson, Simon; Larsson, Fredrik; Furlani, Maurizio; Albinsson, Ingvar; Mellander, Bengt-Erik

    2017-10-01

    In the last few years the use of Li-ion batteries has increased rapidly, powering small as well as large applications, from electronic devices to power storage facilities. The Li-ion battery has, however, several safety issues regarding occasional overheating and subsequent thermal runaway. During such episodes, gas emissions from the electrolyte are of special concern because of their toxicity, flammability and the risk for gas explosion. In this work, the emissions from heated typical electrolyte components as well as from commonly used electrolytes are characterized using FT-IR spectroscopy and FT-IR coupled with thermogravimetric (TG) analysis, when heating up to 650 °C. The study includes the solvents EC, PC, DEC, DMC and EA in various single, binary and ternary mixtures with and without the LiPF6 salt, a commercially available electrolyte, (LP71), containing EC, DEC, DMC and LiPF6 as well as extracted electrolyte from a commercial 6.8 Ah Li-ion cell. Upon thermal heating, emissions of organic compounds and of the toxic decomposition products hydrogen fluoride (HF) and phosphoryl fluoride (POF3) were detected. The electrolyte and its components have also been extensively analyzed by means of infrared spectroscopy for identification purposes.

  7. Weathering trend characterization of medium-molecular weight polycyclic aromatic disulfur heterocycles by Fourier transform ion cyclotron resonance mass spectrometry.

    PubMed

    Hegazi, Abdelrahman H; Fathalla, Eiman M; Andersson, Jan T

    2014-09-01

    Different weathering factors act to change petroleum composition once it is spilled into the environment. n-Alkanes, biomarkers, low-molecular weight polyaromatic hydrocarbons and sulfur heterocycles compositional changing in the environment have been extensively studied by different researchers and many parameters have been used for oil source identification and monitoring of weathering and biological degradation processes. In this work, we studied the fate of medium-molecular weight polycyclic aromatic disulfur heterocycles (PAS2Hs), up to ca. 900Da, of artificially weathered Flotta North Sea crude oil by ultra high-resolution Fourier transform ion cyclotron resonance mass spectrometry. It was found that PAS2Hs in studied crude oil having double bond equivalents (DBE) from 5 to 8 with a mass range from ca 316 to 582Da were less influenced even after six months artificial weathering experiment. However, compounds having DBEs 12, 11 and 10 were depleted after two, four and six months weathering, respectively. In addition, DBE 9 series was more susceptible to weathering than those of DBE 7 and 8. Copyright © 2014 Elsevier Ltd. All rights reserved.

  8. Top-Down Analysis of Highly Post-Translationally Modified Peptides by Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

    NASA Astrophysics Data System (ADS)

    Guerrero, Andres; Lerno, Larry; Barile, Daniela; Lebrilla, Carlito B.

    2015-03-01

    Bovine κ-caseinoglycomacropeptide (GMP) is a highly modified peptide from κ-casein produced during the cheese making process. The chemical nature of GMP makes analysis by traditional proteomic approaches difficult, as the peptide bears a strong net negative charge and a variety of post-translational modifications. In this work, we describe the use of electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI FT-ICR MS) for the top-down analysis of GMP. The method allows the simultaneous detection of different GMP forms that result from the combination of amino acid genetic variations and post-translational modifications, specifically phosphorylation and O-glycosylation. The different GMP forms were identified by high resolution mass spectrometry in both negative and positive mode and confirmation was achieved by tandem MS. The results showed the predominance of two genetic variants of GMP that occur as either mono- or bi-phosphorylated species. Additionally, these four forms can be modified with up to two O-glycans generally sialylated. The results demonstrate the presence of glycosylated, bi-phosphorylated forms of GMP never described before.

  9. Vacuum compatible sample positioning device for matrix assisted laser desorption/ionization Fourier transform ion cyclotron resonance mass spectrometry imaging

    PubMed Central

    Aizikov, Konstantin; Smith, Donald F.; Chargin, David A.; Ivanov, Sergei; Lin, Tzu-Yung; Heeren, Ron M. A.; O’Connor, Peter B.

    2011-01-01

    The high mass accuracy and resolving power of Fourier transform ion cyclotron resonance mass spectrometers (FT-ICR MS) make them ideal mass detectors for mass spectrometry imaging (MSI), promising to provide unmatched molecular resolution capabilities. The intrinsic low tolerance of FT-ICR MS to RF interference, however, along with typically vertical positioning of the sample, and MSI acquisition speed requirements present numerous engineering challenges in creating robotics capable of achieving the spatial resolution to match. This work discusses a two-dimensional positioning stage designed to address these issues. The stage is capable of operating in ∼1 × 10–8 mbar vacuum. The range of motion is set to 100 mm × 100 mm to accommodate large samples, while the positioning accuracy is demonstrated to be less than 0.4 micron in both directions under vertical load over the entire range. This device was integrated into three different matrix assisted laser desorption/ionization (MALDI) FT-ICR instruments and showed no detectable RF noise. The “oversampling” MALDI-MSI experiments, under which the sample is completely ablated at each position, followed by the target movement of the distance smaller than the laser beam, conducted on the custom-built 7T FT-ICR MS demonstrate the stability and positional accuracy of the stage robotics which delivers high spatial resolution mass spectral images at a fraction of the laser spot diameter. PMID:21639522

  10. Surface-Induced Dissociation of Protein Complexes in a Hybrid Fourier Transform Ion Cyclotron Resonance Mass Spectrometer.

    PubMed

    Yan, Jing; Zhou, Mowei; Gilbert, Joshua D; Wolff, Jeremy J; Somogyi, Árpád; Pedder, Randall E; Quintyn, Royston S; Morrison, Lindsay J; Easterling, Michael L; Paša-Tolić, Ljiljana; Wysocki, Vicki H

    2017-01-03

    Mass spectrometry continues to develop as a valuable tool in the analysis of proteins and protein complexes. In protein complex mass spectrometry studies, surface-induced dissociation (SID) has been successfully applied in quadrupole time-of-flight (Q-TOF) instruments. SID provides structural information on noncovalent protein complexes that is complementary to other techniques. However, the mass resolution of Q-TOF instruments can limit the information that can be obtained for protein complexes by SID. Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) provides ultrahigh resolution and ultrahigh mass accuracy measurements. In this study, an SID device was designed and successfully installed in a hybrid FT-ICR instrument in place of the standard gas collision cell. The SID-FT-ICR platform has been tested with several protein complex systems (homooligomers, a heterooligomer, and a protein-ligand complex, ranging from 53 to 85 kDa), and the results are consistent with data previously acquired on Q-TOF platforms, matching predictions from known protein interface information. SID fragments with the same m/z but different charge states are well-resolved based on distinct spacing between adjacent isotope peaks, and the addition of metal cations and ligands can also be isotopically resolved with the ultrahigh mass resolution available in FT-ICR.

  11. Vacuum compatible sample positioning device for matrix assisted laser desorption/ionization Fourier transform ion cyclotron resonance mass spectrometry imaging

    SciTech Connect

    Aizikov, Konstantin; Lin, Tzu-Yung; Smith, Donald F.; Heeren, Ron M. A.; Chargin, David A.; Ivanov, Sergei; O'Connor, Peter B.

    2011-05-15

    The high mass accuracy and resolving power of Fourier transform ion cyclotron resonance mass spectrometers (FT-ICR MS) make them ideal mass detectors for mass spectrometry imaging (MSI), promising to provide unmatched molecular resolution capabilities. The intrinsic low tolerance of FT-ICR MS to RF interference, however, along with typically vertical positioning of the sample, and MSI acquisition speed requirements present numerous engineering challenges in creating robotics capable of achieving the spatial resolution to match. This work discusses a two-dimensional positioning stage designed to address these issues. The stage is capable of operating in {approx}1 x 10{sup -8} mbar vacuum. The range of motion is set to 100 mm x 100 mm to accommodate large samples, while the positioning accuracy is demonstrated to be less than 0.4 micron in both directions under vertical load over the entire range. This device was integrated into three different matrix assisted laser desorption/ionization (MALDI) FT-ICR instruments and showed no detectable RF noise. The ''oversampling'' MALDI-MSI experiments, under which the sample is completely ablated at each position, followed by the target movement of the distance smaller than the laser beam, conducted on the custom-built 7T FT-ICR MS demonstrate the stability and positional accuracy of the stage robotics which delivers high spatial resolution mass spectral images at a fraction of the laser spot diameter.

  12. Efficient denoising algorithms for large experimental datasets and their applications in Fourier transform ion cyclotron resonance mass spectrometry

    PubMed Central

    Chiron, Lionel; van Agthoven, Maria A.; Kieffer, Bruno; Rolando, Christian; Delsuc, Marc-André

    2014-01-01

    Modern scientific research produces datasets of increasing size and complexity that require dedicated numerical methods to be processed. In many cases, the analysis of spectroscopic data involves the denoising of raw data before any further processing. Current efficient denoising algorithms require the singular value decomposition of a matrix with a size that scales up as the square of the data length, preventing their use on very large datasets. Taking advantage of recent progress on random projection and probabilistic algorithms, we developed a simple and efficient method for the denoising of very large datasets. Based on the QR decomposition of a matrix randomly sampled from the data, this approach allows a gain of nearly three orders of magnitude in processing time compared with classical singular value decomposition denoising. This procedure, called urQRd (uncoiled random QR denoising), strongly reduces the computer memory footprint and allows the denoising algorithm to be applied to virtually unlimited data size. The efficiency of these numerical tools is demonstrated on experimental data from high-resolution broadband Fourier transform ion cyclotron resonance mass spectrometry, which has applications in proteomics and metabolomics. We show that robust denoising is achieved in 2D spectra whose interpretation is severely impaired by scintillation noise. These denoising procedures can be adapted to many other data analysis domains where the size and/or the processing time are crucial. PMID:24390542

  13. An antibiotic linked to peptides and proteins is released by electron capture dissociation fourier transform ion cyclotron resonance mass spectrometry.

    PubMed

    Fagerquist, Clifton K; Hudgins, Robert R; Emmett, Mark R; Håkansson, Kristina; Marshall, Alan G

    2003-04-01

    Desfuroylceftiofur (DFC) is a bioactive beta-lactam antibiotic metabolite that has a free thiol group. Previous experiments have shown release of DFC from plasma extracts after addition of a disulfide reducing agent, suggesting that DFC may be bound to plasma and tissue proteins through disulfide bonds. We have reacted DFC with [Arg(8)]-vasopressin (which has one disulfide bond) and bovine insulin (which has three disulfide bonds) and analyzed the reaction products by use of electron capture dissociation Fourier transform ion cyclotron resonance mass spectrometry (ECD FT-ICR MS), which has previously shown preferential cleavage of disulfide bonds. We observe cleavage of DFC from vasopressin and insulin during ECD, suggesting that DFC is indeed bound to peptides and proteins through disulfide bonds. Specifically, we observed dissociative loss of one, as well as two, DFC species during ECD of [vasopressin + 2(DFC-H) + 2H](2+) from a single electron capture event. Loss of two DFCs could arise from either consecutive or simultaneous loss, but in any case implies a gas phase disulfide exchange step. ECD of [insulin + DFC + 4H](4+) shows preferential dissociative loss of DFC. Combined with HPLC, ECD FT-ICR-MS may be an efficient screening method for detection of drug-biomolecule binding.

  14. Top-Down Proteomics on a Chromatographic Time Scale Using Linear Ion Trap Fourier Transform Hybrid Mass Spectrometers

    PubMed Central

    Parks, Bryan A.; Jiang, Lihua; Thomas, Paul M.; Wenger, Craig D.; Roth, Michael J.; Boyne, Michael T.; Burke, Patricia V.; Kwast, Kurt E.; Kelleher, Neil L.

    2008-01-01

    Proteomics has grown significantly with the aid of new technologies that consistently are becoming more streamlined. While processing of proteins from a whole cell lysate is typically done in a bottom-up fashion utilizing MS/MS of peptides from enzymatically digested proteins, top-down proteomics is becoming a viable alternative that until recently has been limited largely to offline analysis by tandem mass spectrometry. Here we describe a method for high-resolution tandem mass spectrometery of intact proteins on a chromatographic time scale. In a single liquid chromatography–tandem mass spectrometry (LC–MS/MS) run, we have identified 22 yeast proteins with molecular weights from 14 to 35 kDa. Using anion exchange chromatography to fractionate a whole cell lysate before online LC–MS/MS, we have detected 231 metabolically labeled (14N/15N) protein pairs from Saccharomyces cerevisiae. Thirty-nine additional proteins were identified and characterized from LC–MS/MS of selected anion exchange fractions. Automated localization of multiple acetylations on Histone H4 was also accomplished on an LC time scale from a complex protein mixture. To our knowledge, this is the first demonstration of top-down proteomics (i.e., many identifications) on linear ion trap Fourier transform (LTQ FT) systems using high-resolution MS/MS data obtained on a chromatographic time scale. PMID:17915963

  15. Photochemically induced changes in dissolved organic matter identified by ultrahigh resolution fourier transform ion cyclotron resonance mass spectrometry.

    PubMed

    Gonsior, Michael; Peake, Barrie M; Cooper, William T; Podgorski, David; D'Andrilli, Juliana; Cooper, William J

    2009-02-01

    Sunlight-induced molecular changes have been observed in two samples of dissolved organic matter (DOM) collected in the Cape Fear River system, North Carolina, USA. The molecular composition of a water sample collected in the Black River (sample B210, salinity 0) and another water sample collected within the Cape Fear River estuary (sample M61, salinity 13.7) were analyzed using an ultrahigh resolution 9.4 Tesla (T) electrospray ionization Fourier transform ion cyclotron resonance mass spectrometer. Additionally, the Ultraviolet/Visible (UV/vis) absorbance as well as the excitation emission matrix (EEM) fluorescence spectra were determined to identify changes in the optical properties associated with photochemical reactions of the chromophoric DOM (CDOM). The molecular formulas forthe Cape Fear River Estuary (M61) sample before the irradiation experiments indicated the presence of highly aromatic compounds which were not present in the unirradiated Black River sample (B210). These aromatic compounds, with oxygen-subtracted double bond equivalents (DBE-O) values greater than nine, are more photoreactive and readily photodegraded relative to saturated compounds. Compounds with DBE-O values below nine are less photoreactive. The UV/vis absorbance and EEM fluorescence results supported this different photodegradation behavior, suggesting that the photoreactivity of CDOM is highly dependent on the molecular composition of the CDOM.

  16. Unambiguous identification and discovery of bacterial siderophores by direct injection 21 Tesla Fourier transform ion cyclotron resonance mass spectrometry

    SciTech Connect

    Walker, Lawrence R.; Tfaily, Malak M.; Shaw, Jared B.; Hess, Nancy J.; Paša-Tolić, Ljiljana; Koppenaal, David W.

    2017-01-01

    Under iron-limiting conditions, bacteria produce low molecular mass Fe(III) binding molecules known as siderophores to sequester the Fe(III), along with other elements, increasing their bioavailibility. Siderophores are thought to influence iron cycling and biogeochemistry in both marine and terrestrial ecosystems and hence the need for rapid, confident characterization of these compounds has increased. In this study, the type of siderophores produced by two marine bacterial species, Synechococcus sp. PCC 7002 and Vibrio cyclitrophicus 1F53, were characterized using a newly developed 21T Fourier Transform Ion Cyclotron Resonance Mass Spectrometer (FTICR MS) with direct injection electrospray ionization. This technique allowed for the rapid detection of synechobactins from Synechococcus sp. PCC 7002 as well as amphibactins from Vibrio cyclitrophicus 1F53 based on high mass accuracy and resolution allowing for observation of specific Fe isotopic peaks and fine isotopic structure enables highly confident identification of these sideropohores. When combined with molecular network analysis two new amphibactins were discovered and verified by tandem MS. These results show that high-field FTICR MS is a powerful technique that will greatly improve the ability to rapidly identify and discover metal binding species in the environment.

  17. Improved Ion Optics for Introduction of Ions into a 9.4 Tesla Fourier Transform Ion Cyclotron Resonance Mass Spectrometer

    PubMed Central

    Chen, Yu; Leach, Franklin E.; Kaiser, Nathan K.; Dang, Xibei; Ibrahim, Yehia M.; Norheim, Randolph V.; Anderson, Gordon A.; Smith, Richard D.; Marshall, Alan G.

    2014-01-01

    Enhancements to the ion source and transfer optics of our 9.4 T FT-ICR mass spectrometer have resulted in improved ion transmission efficiency for more sensitive mass measurement of complex mixtures at the MS and MS/MS levels. The tube lens/skimmer has been replaced by a dual ion funnel and the following octopole by a quadrupole for reduced ion cloud radial expansion before transmission into a mass-selective quadrupole. The number of ions that reach the ICR cell is increased by an order of magnitude for the funnel/quadrupole relative to the tube lens/skimmer/octopole. PMID:25601704

  18. Detailed characterization of polar compounds of residual oil in contaminated soil revealed by Fourier transform ion cyclotron resonance mass spectrometry.

    PubMed

    Wang, Jian; Zhang, Xu; Li, Guanghe

    2011-10-01

    Effects of remediation technologies on polar compounds of crude oil in contaminated soils have not been well understood when compared to hydrocarbons. In this study, ultrahigh resolution Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) was used to characterize the changes in NSO polar compounds of crude oil and residual oil after long-term natural attenuation, biostimulation and subsequent ozonation following biostimulation of contaminated soils. N1 and O1 species, which were abundant in the crude oil, were selectively biodegraded, and species with higher double bond equivalent values and smaller carbon numbers appeared to be more resistant to microbial alteration. O2-O6 species were enriched by biodegradation and contained a large number of compounds with a high degree of unsaturation. Ozone could react with a variety of polar compounds in residual oil after biodegradation and showed high reactivity with polar species containing aromatic or multi-aliphatic rings, including the residual N1 and O1 species, naphthenic acids and unsaturated O3-O6 compounds. Fatty acids and O3-O8 species dominated by saturated alkyl compounds were resistant to ozonation or the primarily incomplete ozonation products. Principal component analysis of identified peaks in the FT-ICR MS spectra provided a comprehensive overview of the complex samples at the molecular level and the results were consistent with the detailed analysis. Taken together, these results showed the high complexity of polar compounds in residual oils after biodegradation or ozonation in contaminated soil and would contribute to a better understanding of bioremediation and ozonation processes. Copyright © 2011 Elsevier Ltd. All rights reserved.

  19. Molecular characterization of inhibiting biochar water-extractable substances using electrospray ionization fourier transform ion cyclotron resonance mass spectrometry.

    PubMed

    Smith, Cameron R; Sleighter, Rachel L; Hatcher, Patrick G; Lee, James W

    2013-01-01

    Biochar has gained significant interest worldwide for its potential use as both a carbon sequestration technique and soil amendment. Recently, research has shown that pinewood-derived biochar water extracts inhibited the growth of aquatic photosynthetic microorganisms, both prokaryotic and eukaryotic algae, while chicken litter- and peanut shell-derived biochar water extracts showed no growth inhibition. With the use of electrodialysis, the pinewood-derived biochar water extract is separated into 3 fractions (anode-isolated, center chamber retained, and cathode-isolated substances) all with varying toxic effects. Because of its ultrahigh resolution and mass precision, electrospray ionization (ESI) coupled to Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) is utilized in this study to analyze biochar water extracts at a molecular level to enhance our understanding of the toxic nature of pinewood-derived biochar water extracts as compared to benign peanut shell-derived biochar water extracts. The molecular composition of pinewood-derived biochar water extracts shows unique carbohydrate ligneous components and sulfur containing condensed ligneous components that are both absent from the peanut shell water extracts and more prevalent in the anode-isolated substances. Using Kendrick mass defect analysis, we also determine that the most likely inhibitor species contain carboxyl and hydroxyl homologous series, both of which are characteristic functional groups hypothesized in our previous research for the inhibitor species. We have suggested that inhibition of aquatic photosynthetic microorganism growth is most likely due to degraded lignin-like species rich in oxygen containing functionalities. From the study conducted here, we show the potential of ultrahigh resolution FTICR-MS as a valuable analytical technique for determining whether certain biochars are safe and benign for use as carbon sequestration and soil amendment.

  20. Oil spill source identification by principal component analysis of electrospray ionization Fourier transform ion cyclotron resonance mass spectra.

    PubMed

    Corilo, Yuri E; Podgorski, David C; McKenna, Amy M; Lemkau, Karin L; Reddy, Christopher M; Marshall, Alan G; Rodgers, Ryan P

    2013-10-01

    One fundamental challenge with either acute or chronic oil spills is to identify the source, especially in highly polluted areas, near natural oil seeps, when the source contains more than one petroleum product or when extensive weathering has occurred. Here we focus on heavy fuel oil that spilled (~200,000 L) from two suspected fuel tanks that were ruptured on the motor vessel (M/V) Cosco Busan when it struck the San Francisco-Oakland Bay Bridge in November 2007. We highlight the utility of principal component analysis (PCA) of elemental composition data obtained by high resolution FT-ICR mass spectrometry to correctly identify the source of environmental contamination caused by the unintended release of heavy fuel oil (HFO). Using ultrahigh resolution electrospray ionization (ESI) Fourier transform ion cyclotron resonance mass spectrometry, we uniquely assigned thousands of elemental compositions of heteroatom-containing species in neat samples from both tanks and then applied principal component analysis. The components were based on double bond equivalents for constituents of elemental composition, CcHhN1S1. To determine if the fidelity of our source identification was affected by weathering, field samples were collected at various intervals up to two years after the spill. We are able to identify a suite of polar petroleum markers that are environmentally persistent, enabling us to confidently identify that only one tank was the source of the spilled oil: in fact, a single principal component could account for 98% of the variance. Although identification is unaffected by the presence of higher polarity, petrogenic oxidation (weathering) products, future studies may require removal of such species by anion exchange chromatography prior to mass spectral analysis due to their preferential ionization by ESI.

  1. Selective injection and isolation of ions in quadrupole ion trap mass spectrometry using notched waveforms created using the inverse Fourier transform

    SciTech Connect

    Soni, M.H.; Cooks, R.G. )

    1994-08-01

    Broad-band excitation of ions is accomplished in the quadrupole ion trap mass spectrometer using notched waveforms created by the SWIFT (stored waveform inverse Fourier transform) technique. A series of notched SWIFT pulses are applied during the period of ion injection from an external Cs[sup +] source to resonantly eject all ions whose resonance frequencies fall within the frequency range of the pulse while injecting only those analyte ions whose resonance frequencies fall within the limits of the notch. This allows selective injection and accumulation of the ions of interest and continuous ejection of the unwanted ions. This is shown to result in significant improvement in S/N ratio, resolution, and sensitivity for the analyte ions of interest. Selective ion injection is demonstrated by injecting the protonated molecules of peptides VSV and gramicidin S and the intact cation of l-carnitine hydrochloride, using singly notched SWIFT pulses. Multiply notched SWIFT pulses are used to simultaneously inject ions of different m/z values of l-carnitine hydrochloride into the ion trap. A new coarse/fine ion isolation procedure, which employs a doubly notched SWIFT pulse, is demonstrated for isolating ions of a single m/z value of 4-bromobiphenyl from a population of trapped ions. 36 refs., 10 figs., 2 tabs.

  2. Molecular characterization of monoterpene ozonolysis products using ultrahigh-resolution Fourier transform ion cyclotron resonance mass spectrometry

    NASA Astrophysics Data System (ADS)

    Kundu, S.; Fisseha, R.; Putman, A.; Rahn, T.; Mazzoleni, L. R.

    2010-12-01

    A detailed knowledge of the chemical composition of secondary organic aerosols (SOA) is required to better understand their roles in climate change, biogeochemical cycling and public health. The chemical composition of the SOA produced by the ozonolysis of limonene was investigated using electrospray ionization Fourier transform ion cyclotron resonance (ESI FT-ICR) mass spectrometry. SOA was generated in a 1.5 m3 teflon chamber with 500 ppb of limonene and 250 ppb of O3, without the presence of hydroxyl radical scavenger. We have identified approximately 1300-1500 molecular masses from negative-ion spectra in the range of 105 < m/z < 870 in each of two samples. The double bond equivalency (DBE), the number of rings and unsaturated bonds, values range from 1 to 13. This indicates the formation of a wide variety of chemical compounds. Several regions of high peak number density were observed in the mass ranges of 170 < m/z < 280, 350 < m/z < 480, 550 < m/z < 650 and 730 < m/z < 850. These regions are generally referred to as monomers, dimers, trimers, and tetramers of oxidized monoterpene units. The average DBE values for monomer to tetramer regions increase from 3.7 to 9.4 and the oxidation number decreases from -0.4 to -0.7. These results suggest that high MW organic compounds in the SOA samples are more unsaturated and less-oxidized. Both the oxygen to carbon (0.2-2) and hydrogen to carbon (0.5-1.1) ratios for limonene-SOA are different from those for α-pinene-SOA, 0.2-1 and 1.1-1.9 (Putman et al., 2010). We will compare the chemical composition of limonene-SOA with that of α- and β-pinene-SOA. We will also discuss the MSn fragmentation behavior of major ions for the structural elucidation of the oligomers. Putman, A., J. Offenberg, R. Fisseha, T. Rahn, and L. R. Mazzoleni, Ultrahigh-resolution mass spectrometry of the complex secondary organic aerosol products from ozonolysis of α-pinene: Investigating oligomers, in preparation, 2010.

  3. Characterization of the chemical composition of soil humic acids using Fourier transform ion cyclotron resonance mass spectrometry

    NASA Astrophysics Data System (ADS)

    Ikeya, Kosuke; Sleighter, Rachel L.; Hatcher, Patrick G.; Watanabe, Akira

    2015-03-01

    The composition of humic acids (HAs) with varying degrees of humification isolated from 10 common Japanese soils was characterized using negative ion mode electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry at 12 T. In particular, attention was paid to polynuclear aromatic components, which are more associated with the refractory nature of HAs and their resistance to biodegradation in soil than single C ring aromatic entities, such as lignin-like components, and aliphatic functionalities. Thousands of peaks were observed in the m/z range of 200-700, and molecular formulas were assigned to 817-2457 peaks in each sample. The molecular formulas having H/C and O/C ratios similar to those of lipid, protein, and other aliphatics with low double bond equivalents (DBE) of 0-7 were generally observed across the m/z range of 200-700. Although there were a number of molecular formulas having H/C and O/C values similar to those of lignin across the wide m/z range in the HAs with a low degree of humification, most lignin-like molecular formulas in the larger m/z range (450-650) or irrespective of m/z were lacking in the HAs with middle and high degrees of humification, respectively. These observations suggest a longer residence time for lignin monomers/dimers (and their derivatives; m/z 200-400) than larger lignin oligomers (m/z 450-650) in HA structural domains. The number of molecular formulas having H/C and O/C values similar to condensed aromatics increased with increasing degree of humification. The m/z and DBE values of condensed aromatic-like molecular formulas in the HAs with a lower degree of humification were <500 and 10-25, respectively, whilst the ranges expanded to 600 and 30-33, respectively, in the highly-humified black HAs. Kendrick mass defect analysis using a carboxyl group as the characteristic functional group found that 31, 73, and 39 molecular formulas had chain-type, net-type, and biphenyl-type condensed aromatic acids

  4. Reactions of metal ions and their clusters in the gas phase using laser ionization: Fourier transform mass spectrometry. Progress report, February 1, 1993--January 31, 1994

    SciTech Connect

    Freiser, B.S.

    1993-09-01

    This report focuses on progress in seven areas: (1) Gas-Phase Reactions of Fe(Benzyne){sup +} with Simple Alkyl Halides; (2) Photodissociation and Collision-Induced Dissociation of Molecular Ions From Methylphenol and Chloromethylphenol; (3) Isotopomer Differentiation Using Metal Ion Chemical Ionization Reagents; (4) Multiple Excitation Collisional Activation (MECA) in Fourier Transform Mass Spectrometry; (5) Chemistry of Fe{sup +}-Arene Ions with Halobenzenes; (6) Gas-Phase Photodissociaton Study of Ag(Benzene){sup +} and Ag(Toluene){sup +}; and (7) Reactivity of Ti{sup 2+} and V{sup 2+} with Small Alkanes.

  5. Reduced fragmentation in liquid injection field desorption/ionization Fourier transform ion cyclotron resonance mass spectrometry by use of helium for the thermalization of molecular ions.

    PubMed

    Bernhard Linden, H; Gross, Jürgen H

    2012-02-15

    To exploit the softness of liquid injection field desorption/ionization (LIFDI), the molecular ions, M(+•), need to be transferred from their origin at the field emitter through the mass analyzer without disrupting their integrity. To preserve the molecular ions, ion-activating events like collisions must therefore be avoided. In hybrid quadrupole Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometers, however, multiple ion-guiding and ion-trapping events occur prior to mass analysis. The effects thereof compromised initial spectra from a LIFDI and electrospray ionization (ESI) combination (LIFDI-ESI) ion source and, thus, called for refined experimental conditions. A hybrid quadrupole FT-ICR instrument equipped with a new LIFDI-ESI combination ion source was used to obtain LIFDI spectra of polystyrene 1050, of 2,3,4-tridodecyloxybenzaldehyde, and of sewing machine oil as well as a field ionization (FI) spectrum of pentafluoroiodobenzene. The abundance of molecular ions, M(+•), was optimized, in particular by variation of the trapping conditions inside the instrument's accumulation RF-hexapole ion trap. Ion-buffer gas collisions in the instrument's accumulation RF-hexapole ion trap were detrimental to the easy-to-fragment molecular ions of hydrocarbon species, whereas more robust even-electron ions were not affected. Exchanging the instrument's standard supply of argon buffer gas for helium resulted in a remarkable improvement. Together with further adjustments of potentials applied along the ion transfer path, hydrocarbon species could be analyzed. The use of helium buffer gas remarkably improved LIFDI spectra, because the loss of molecular ions by dissociation during transfer from the LIFDI source into the ICR cell was significantly reduced. Hydrocarbon species could be analyzed while fragmentation of ions was avoided for the most part. Copyright © 2012 John Wiley & Sons, Ltd.

  6. Boosting Sensitivity in Liquid Chromatography-Fourier Transform Ion Cyclotron Resonance-Tandem Mass Spectrometry for Product Ion Analysis of Monoterpene Indole Alkaloids.

    PubMed

    Nakabayashi, Ryo; Tsugawa, Hiroshi; Kitajima, Mariko; Takayama, Hiromitsu; Saito, Kazuki

    2015-01-01

    In metabolomics, the analysis of product ions in tandem mass spectrometry (MS/MS) is noteworthy to chemically assign structural information. However, the development of relevant analytical methods are less advanced. Here, we developed a method to boost sensitivity in liquid chromatography-Fourier transform ion cyclotron resonance-tandem mass spectrometry analysis (MS/MS boost analysis). To verify the MS/MS boost analysis, both quercetin and uniformly labeled (13)C quercetin were analyzed, revealing that the origin of the product ions is not the instrument, but the analyzed compounds resulting in sensitive product ions. Next, we applied this method to the analysis of monoterpene indole alkaloids (MIAs). The comparative analyses of MIAs having indole basic skeleton (ajmalicine, catharanthine, hirsuteine, and hirsutine) and oxindole skeleton (formosanine, isoformosanine, pteropodine, isopteropodine, rhynchophylline, isorhynchophylline, and mitraphylline) identified 86 and 73 common monoisotopic ions, respectively. The comparative analyses of the three pairs of stereoisomers showed more than 170 common monoisotopic ions in each pair. This method was also applied to the targeted analysis of MIAs in Catharanthus roseus and Uncaria rhynchophylla to profile indole and oxindole compounds using the product ions. This analysis is suitable for chemically assigning features of the metabolite groups, which contributes to targeted metabolome analysis.

  7. A "screened" electrostatic ion trap for enhanced mass resolution, mass accuracy, reproducibility, and upper mass limit in Fourier transform ion cyclotron resonance mass spectrometry.

    PubMed

    Wang, M; Marshall, A G

    1989-06-01

    Until now, it was thought that the optimal static electromagnetic ion trap for Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry should be designed to produce a quadrupolar electrical potential, for which the ion cyclotron frequency is independent of the ion's preexcitation location within the trap. However, a quadrupolar potential results in a transverse (to the magnetic field) electric field that increases linearly with distance from the center of the trap. That radially linear electric field shifts the observed ICR frequency, increases the ICR orbital radius, and ultimately limits the highest mass-to-charge ratio ion that can be contained within the trap. In this paper, we propose a new static electromagnetic ion "trap" in which grounded screens placed just inside the usual "trapping" plates produce a good approximation to a "particle-in-a-box" potential (rather than the quadrupolar "harmonic oscillator" potential). SIMION calculations confirm that the electric potential of the screened trap is near zero almost everywhere within the trap. For our screened orthorhombic (2.5 in. X 2 in. X 2 in.) trap, the experimental ICR frequency shift due to trapping voltage is reduced by a factor of approximately 100, and the experimental variation of ICR frequency with ICR radius is reduced by a factor of approximately 10 compared to a conventional (unscreened) 2-in. cubic ion trap.(ABSTRACT TRUNCATED AT 250 WORDS)

  8. Boosting Sensitivity in Liquid Chromatography–Fourier Transform Ion Cyclotron Resonance–Tandem Mass Spectrometry for Product Ion Analysis of Monoterpene Indole Alkaloids

    PubMed Central

    Nakabayashi, Ryo; Tsugawa, Hiroshi; Kitajima, Mariko; Takayama, Hiromitsu; Saito, Kazuki

    2015-01-01

    In metabolomics, the analysis of product ions in tandem mass spectrometry (MS/MS) is noteworthy to chemically assign structural information. However, the development of relevant analytical methods are less advanced. Here, we developed a method to boost sensitivity in liquid chromatography–Fourier transform ion cyclotron resonance–tandem mass spectrometry analysis (MS/MS boost analysis). To verify the MS/MS boost analysis, both quercetin and uniformly labeled 13C quercetin were analyzed, revealing that the origin of the product ions is not the instrument, but the analyzed compounds resulting in sensitive product ions. Next, we applied this method to the analysis of monoterpene indole alkaloids (MIAs). The comparative analyses of MIAs having indole basic skeleton (ajmalicine, catharanthine, hirsuteine, and hirsutine) and oxindole skeleton (formosanine, isoformosanine, pteropodine, isopteropodine, rhynchophylline, isorhynchophylline, and mitraphylline) identified 86 and 73 common monoisotopic ions, respectively. The comparative analyses of the three pairs of stereoisomers showed more than 170 common monoisotopic ions in each pair. This method was also applied to the targeted analysis of MIAs in Catharanthus roseus and Uncaria rhynchophylla to profile indole and oxindole compounds using the product ions. This analysis is suitable for chemically assigning features of the metabolite groups, which contributes to targeted metabolome analysis. PMID:26734034

  9. Utilizing artificial neural networks in MATLAB to achieve parts-per-billion mass measurement accuracy with a fourier transform ion cyclotron resonance mass spectrometer.

    PubMed

    Williams, D Keith; Kovach, Alexander L; Muddiman, David C; Hanck, Kenneth W

    2009-07-01

    Fourier transform ion cyclotron resonance mass spectrometry has the ability to realize exceptional mass measurement accuracy (MMA); MMA is one of the most significant attributes of mass spectrometric measurements as it affords extraordinary molecular specificity. However, due to space-charge effects, the achievable MMA significantly depends on the total number of ions trapped in the ICR cell for a particular measurement, as well as relative ion abundance of a given species. Artificial neural network calibration in conjunction with automatic gain control (AGC) is utilized in these experiments to formally account for the differences in total ion population in the ICR cell between the external calibration spectra and experimental spectra. In addition, artificial neural network calibration is used to account for both differences in total ion population in the ICR cell as well as relative ion abundance of a given species, which also affords mean MMA values at the parts-per-billion level.

  10. Electron transfer dissociation in the hexapole collision cell of a hybrid quadrupole-hexapole Fourier transform ion cyclotron resonance mass spectrometer.

    PubMed

    Kaplan, Desmond A; Hartmer, Ralf; Speir, J Paul; Stoermer, Carsten; Gumerov, Dmitry; Easterling, Michael L; Brekenfeld, Andreas; Kim, Taeman; Laukien, Frank; Park, Melvin A

    2008-01-01

    Electron transfer dissociation (ETD) of proteins is demonstrated in a hybrid quadrupole-hexapole Fourier transform ion cyclotron resonance mass spectrometer (Qh-FTICRMS). Analyte ions are selected in the mass analyzing quadrupole, accumulated in the hexapole linear ion trap, reacted with fluoranthene reagent anions, and then analyzed via an FTICR mass analyzer. The hexapole trap allows for a broad fragment ion mass range and a high ion storage capacity. Using a 3 T FTICRMS, resolutions of 60 000 were achieved with mass accuracies averaging below 1.4 ppm. The high resolution, high mass accuracy ETD spectra provided by FTICR obviates the need for proton transfer reaction (PTR) charge state reduction of ETD product ions when analyzing proteins or large peptides. This is demonstrated with the ETD of ubiquitin and apomyoglobin yielding sequence coverages of 37 and 20%, respectively. We believe this represents the first reported successful combination of ETD and a FTICRMS.

  11. Automated Gain Control and Internal Calibration With External Ion Accumulation Capillary liquid chromatography-electrospray ionization-fourier transform ion cyclotron resonance.

    SciTech Connect

    Belov, Mikhail E.; Zhang, Rui ); Strittmatter, Eric F. ); Prior, David C. ); Tang, Keqi ); Smith, Richard D. )

    2003-08-15

    When combined with capillary LC separations, Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (ESI-FTICR MS) has increasingly been applied for advanced characterization of proteolytic digests. Incorporation of external (to the ICR cell) ion accumulation multipoles with FTICR for ion pre selection and accumulation has enhanced the dynamic range, sensitivity and duty cycle of measurements. However, the highly variable ion production rate from an LC separation can result in overfilling of the external trap, resulting in m/z discrimination and fragmentation of peptide ions. An excessive space charge trapped in the ICR cell causes significant shifts in the detected ion cyclotron frequencies, reducing the achievable mass measurement accuracy (MMA) for protein identification. To eliminate m/z discrimination in the external ion trap, further increase the duty cycle and improve MMA, we developed a capability for data-dependent adjustment of ion accumulation times in the course of an LC separation, referred to as Automated Gain Control (AGC), in combination with low kinetic energy gated ion trapping and internal calibration using a dual-channel electrodynamic ion funnel. The system was initially evaluated in the analysis of a 0.5 mg/mL tryptic digest of bovine serum albumin. The implementation of LC/ESI/AGC/FTICR with internal calibration gave rise to a {approx} 10-fold increase in the number of identified tryptic peptides within mass measurement accuracy of 2 ppm as compared to that detected during the conventional LC/FTICR run with a fixed ion accumulation time and external calibration.

  12. Characterization of Polyolefin Pyrolysis Species Produced Under Ambient Conditions by Fourier Transform Ion Cyclotron Resonance Mass Spectrometry and Ion Mobility-Mass Spectrometry

    NASA Astrophysics Data System (ADS)

    Farenc, Mathilde; Witt, Matthias; Craven, Kirsten; Barrère-Mangote, Caroline; Afonso, Carlos; Giusti, Pierre

    2017-03-01

    Polyolefins such as polyethylene (PE) and polypropylene (PP) are often characterized from their pyrolysis products by Py-MS. Nowadays the development of plasma-based direct probe atmospheric pressure sources allow the direct analysis of these polymers. These sources operate at atmospheric pressure, which implies a limited control of the ionization conditions. It was shown that side reactions could occur with species present in air, such as O2, which may lead to the formation of oxidized compounds. In this work, ion mobility-mass spectrometry (IM-MS) and Fourier transform ion cyclotron resonance mass spectrometry (FTICR) were used for the exhaustive characterization of the PP and PE pyrolysis ions produced using plasma-based atmospheric pressure ion sources. Both PP and PE yielded distributions of pyrolysis products presenting different amounts of unsaturation but also different numbers of oxygen atoms. In addition, the ions produced from PP presented a lower collision cross-section (CCS) than those produced from PE. In the same way, both PP and PE present repeated patterns separated by 14 m/z in the bidimensional drift time versus m/z plots. Within these plots, several trend lines can be evidenced, which are specific of each polymer investigated. Differences were observed between isotactic and atactic samples concerning the pyrolysis profile relative abundance and collision cross-section.

  13. Characterization of Polyolefin Pyrolysis Species Produced Under Ambient Conditions by Fourier Transform Ion Cyclotron Resonance Mass Spectrometry and Ion Mobility-Mass Spectrometry

    NASA Astrophysics Data System (ADS)

    Farenc, Mathilde; Witt, Matthias; Craven, Kirsten; Barrère-Mangote, Caroline; Afonso, Carlos; Giusti, Pierre

    2017-01-01

    Polyolefins such as polyethylene (PE) and polypropylene (PP) are often characterized from their pyrolysis products by Py-MS. Nowadays the development of plasma-based direct probe atmospheric pressure sources allow the direct analysis of these polymers. These sources operate at atmospheric pressure, which implies a limited control of the ionization conditions. It was shown that side reactions could occur with species present in air, such as O2, which may lead to the formation of oxidized compounds. In this work, ion mobility-mass spectrometry (IM-MS) and Fourier transform ion cyclotron resonance mass spectrometry (FTICR) were used for the exhaustive characterization of the PP and PE pyrolysis ions produced using plasma-based atmospheric pressure ion sources. Both PP and PE yielded distributions of pyrolysis products presenting different amounts of unsaturation but also different numbers of oxygen atoms. In addition, the ions produced from PP presented a lower collision cross-section (CCS) than those produced from PE. In the same way, both PP and PE present repeated patterns separated by 14 m/z in the bidimensional drift time versus m/z plots. Within these plots, several trend lines can be evidenced, which are specific of each polymer investigated. Differences were observed between isotactic and atactic samples concerning the pyrolysis profile relative abundance and collision cross-section.

  14. Steerable Discrete Fourier Transform

    NASA Astrophysics Data System (ADS)

    Fracastoro, Giulia; Magli, Enrico

    2017-03-01

    Directional transforms have recently raised a lot of interest thanks to their numerous applications in signal compression and analysis. In this letter, we introduce a generalization of the discrete Fourier transform, called steerable DFT (SDFT). Since the DFT is used in numerous fields, it may be of interest in a wide range of applications. Moreover, we also show that the SDFT is highly related to other well-known transforms, such as the Fourier sine and cosine transforms and the Hilbert transforms.

  15. Observation of CO2 and solvent adduct ions during negative mode electrospray ionization Fourier transform ion cyclotron resonance mass spectrometric analysis of monohydric alcohols.

    PubMed

    Zhou, Xibin; Zhang, Yahe; Zhao, Suoqi; Hsu, Chang Samuel; Shi, Quan

    2013-12-15

    Monohydric alcohols are common in natural products, bio-oils, and medicine. We have found that monohydric alcohols can form O3 (ions containing three oxygen atoms) and O4 adduct ions in negative electrospray ionization (ESI) Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS), which would significantly affect the composition analysis of alcohols, especially in a complex mixture. It is necessary to study the reaction pathways and the method to eliminate or reduce the 'artifact' adducts. Octadecanol, cholesterol, squalanol and two complex monohydric alcohol mixtures were selected as model compounds. These samples were subjected to negative ion ESI FT-ICR MS analysis. The composition and formation mechanism of adducts were studied by the ultrahigh-resolution accurate mass measurement for elemental composition, along with the MS(2) isolation and collision-induced dissociation (CID) experiments for structural determination. The reaction pathway of O3 adduct formation is the coupling of a monohydric alcohol ion with a CO2 to form a stable O3 ionic species by likely a covalent bond (source of CO2 is not clear). The O4 species are formed by O3 ionic species adducted with an alcohol molecule of the solvent, such as methanol or ethanol, by likely a hydrogen bond. These adduct ions could be eliminated or reduced by increasing collision energy. However, excessive collision energy would fragment monohydric alcohol ions. The formation mechanisms of O3 and O4 adducts from monohydric alcohols in negative ion ESI FT-ICR MS were proposed. The solvent adduction effects can be eliminated or reduced by optimizing the collision energy of CID in FT-ICR MS. Copyright © 2013 John Wiley & Sons, Ltd.

  16. The significance of monoisotopic and carbon-13 isobars for the identification of a 19-component dodecapeptide library by positive ion electrospray Fourier transform ion cyclotron resonance mass spectrometry.

    PubMed

    Ramjit, H G; Kruppa, G H; Spier, J P; Ross, C W; Garsky, V M

    2000-01-01

    Harnessing the ultra high resolution capabilities of Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) and positive ion electrospray, we have demonstrated the significance and utility of cumulative mass defect high resolution mass separation stable isotope distribution, exact mass measurement and elemental formula as a means of simultaneously identifying 19 components of the dodecapeptide library Ac-ANKISYQS[X]STE-NH(2). With an instrument resolution of 275 000 (average), isobaric multiplets attributed to monoisotopic and carbon-13 components of peptides: Ac approximately SLS approximately NH(2); Ac approximately SNS approximately NH(2); Ac approximately SOS approximately NH(2); Ac approximately SDS approximately NH(2); within the mass window of 1380-1385 Da, and Ac approximately SQS approximately NH(2); Ac approximately SKS approximately NH(2); Ac approximately SES approximately NH(2); Ac approximately SMS approximately NH(2), within the mass window 1395-1400 Da, were mass resolved, accurately mass measured and identified from the computed molecular formulas. This experimental procedure enabled the separation of monoisotopic and carbon-13 isobars yielding enhanced selectivity and specificity and serves to illustrate the significance of monoisotopic and carbon-13 isobars in final product analysis. Chromatographic separation (HPLC) was of limited utility except for monitoring the overall extent of reaction and apparent product distribution. Positive ion electrospray-FTICR-MS and fast atom bombardment (FAB) MS were used to assess final product quality and apparent component distribution.

  17. Exact masses and chemical formulas of individual Suwannee River fulvic acids from ultrahigh resolution electrospray ionization Fourier transform ion cyclotron resonance mass spectra.

    PubMed

    Stenson, Alexandra C; Marshall, Alan G; Cooper, William T

    2003-03-15

    Molecular formulas have been assigned for 4626 individual Suwannee River fulvic acids based on accurate mass measurements from ions generated by electrospray ionization and observed by ultrahigh-resolution Fourier transform ion cyclotron resonance mass spectrometry (FTICR MS). Formula assignments were possible because of the mass accuracy of FTICR MS at high field (9.4 T) and the regular mass spacing patterns found in fulvic acid mixtures. Sorting the 4626 individually observed ions according to Kendrick mass defect and nominal mass series (z* score) revealed that all could be assigned to 1 of 266 distinct homologous series that differ in oxygen content and double bond equivalence. Tandem mass spectrometry based on infrared multiphoton dissociation identified labile fragments of fulvic acid molecules, whose chemical formulas led to plausible structures consistent with degraded lignin as a source of Suwannee River fulvic acids.

  18. Direct Analysis in Real Time (DART) of an Organothiophosphate at Ultrahigh Resolution by Fourier Transform Ion Cyclotron Resonance Mass Spectrometry and Tandem Mass Spectrometry.

    PubMed

    Prokai, Laszlo; Stevens, Stanley M

    2016-01-16

    Direct analysis in real time (DART) is a recently developed ambient ionization technique for mass spectrometry to enable rapid and sensitive analyses with little or no sample preparation. After swab-based field sampling, the organothiophosphate malathion was analyzed using DART-Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry (MS) and tandem mass spectrometry (MS/MS). Mass resolution was documented to be over 800,000 in full-scan MS mode and over 1,000,000 for an MS/MS product ion produced by collision-induced dissociation of the protonated analyte. Mass measurement accuracy below 1 ppm was obtained for all DART-generated ions that belonged to the test compound in the mass spectra acquired using only external mass calibration. This high mass measurement accuracy, achievable at present only through FTMS, was required for unequivocal identification of the corresponding molecular formulae.

  19. Direct Analysis in Real Time (DART) of an Organothiophosphate at Ultrahigh Resolution by Fourier Transform Ion Cyclotron Resonance Mass Spectrometry and Tandem Mass Spectrometry

    PubMed Central

    Prokai, Laszlo; Stevens, Stanley M.

    2016-01-01

    Direct analysis in real time (DART) is a recently developed ambient ionization technique for mass spectrometry to enable rapid and sensitive analyses with little or no sample preparation. After swab-based field sampling, the organothiophosphate malathion was analyzed using DART-Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry (MS) and tandem mass spectrometry (MS/MS). Mass resolution was documented to be over 800,000 in full-scan MS mode and over 1,000,000 for an MS/MS product ion produced by collision-induced dissociation of the protonated analyte. Mass measurement accuracy below 1 ppm was obtained for all DART-generated ions that belonged to the test compound in the mass spectra acquired using only external mass calibration. This high mass measurement accuracy, achievable at present only through FTMS, was required for unequivocal identification of the corresponding molecular formulae. PMID:26784186

  20. Quantum-Beat Free-Induction Decay of Copper Ions in an Aqueous Solution: Fourier-Transform ESR Spectroscopy by Optical Means

    NASA Astrophysics Data System (ADS)

    Furue, Shigenori; Nakayama, Kazuyuki; Kohmoto, Toshiro; Kunitomo, Masakazu; Fukuda, Yukio

    2004-05-01

    The fast-spin dynamics of transition-metal ions in an aqueous solution at room temperature has been directly observed in the subnanosecond region by polarization spectroscopy using the pump-probe technique. The time evolution of the optically induced magnetization is monitored through the change in the polarization of the probe pulse. Quantum-beat free-induction decay signals in the ground state of copper ions in an aqueous solution of copper sulfate are observed in transverse magnetic fields. The Fourier transform of the observed signals gives the ESR spectra. From the magnetic-field dependence of the beat frequency, the g-value of copper ions is g=2.20± 0.05. The observed line shape of the ESR spectra suggests that the hydrated copper complex rotates in the picosecond region. This all-optical method can be a powerful tool for the study of fast-spin dynamics in solutions.

  1. Fast Fourier transform telescope

    SciTech Connect

    Tegmark, Max; Zaldarriaga, Matias

    2009-04-15

    We propose an all-digital telescope for 21 cm tomography, which combines key advantages of both single dishes and interferometers. The electric field is digitized by antennas on a rectangular grid, after which a series of fast Fourier transforms recovers simultaneous multifrequency images of up to half the sky. Thanks to Moore's law, the bandwidth up to which this is feasible has now reached about 1 GHz, and will likely continue doubling every couple of years. The main advantages over a single dish telescope are cost and orders of magnitude larger field-of-view, translating into dramatically better sensitivity for large-area surveys. The key advantages over traditional interferometers are cost (the correlator computational cost for an N-element array scales as Nlog{sub 2}N rather than N{sup 2}) and a compact synthesized beam. We argue that 21 cm tomography could be an ideal first application of a very large fast Fourier transform telescope, which would provide both massive sensitivity improvements per dollar and mitigate the off-beam point source foreground problem with its clean beam. Another potentially interesting application is cosmic microwave background polarization.

  2. Probing the exposure of the phosphate group in modified amino acids and peptides by ion-molecule reactions with triethoxyborane in Fourier transform ion cyclotron resonance mass spectrometry.

    PubMed

    Lanucara, Francesco; Fornarini, Simonetta; Eyers, Claire E; Crestoni, Maria Elisa

    2014-05-30

    Intramolecular hydrogen bonds between a phosphate group and charged residues play a crucial role in the chemistry of phosphorylated peptides, driving the species to specific conformations and affecting the exposure of the phosphate moiety. The nature and extent of these interactions can be investigated by measuring the reactivity of phosphate groups toward selected substrates in the gas phase. We used Fourier Transform Ion Cyclotron Resonance (FT-ICR) mass spectrometry (MS) to perform a systematic study on the gas-phase ionic reactivity of phosphorylated amino acids and peptides with triethoxyborane (TEB). Ions of interest were generated by electrospray ionization (ESI), isolated in the cell of the FT-ICR mass spectrometer, and allowed to react with a stationary pressure of TEB. The temporal evolution of the reaction was monitored and thermal rate constants were derived. The structure of the ionic products was confirmed by Collision-Induced Dissociation (CID) tandem mass spectrometry (MS/MS). TEB was found to react with the phosphate of protonated phosphorylated amino acids and peptides by an addition-elimination pathway. The kinetic efficiency of the reaction showed a positive correlation with the charge state of the reagent ion, suggesting the existence of charge-state-dependent exposure of the phosphate groups towards the incoming neutral during the reaction. Isomeric phosphorylated peptides, only differing for the position of the modified serine residue, showed markedly different kinetic efficiencies. The ability of a phosphorylated species to react with TEB depends on the ease of access to the phosphate moiety in the corresponding gaseous ion. Measuring the kinetic efficiency of such reactions can represent a valuable tool to explore the accessibility of phosphate groups in biomolecules. Copyright © 2014 John Wiley & Sons, Ltd.

  3. Gas Chromatography/Atmospheric Pressure Chemical Ionization-Fourier Transform Ion Cyclotron Resonance Mass Spectrometry of Pyrolysis Oil from German Brown Coal

    PubMed Central

    Zuber, Jan; Kroll, Marius M.; Rathsack, Philipp; Otto, Matthias

    2016-01-01

    Pyrolysis oil from the slow pyrolysis of German brown coal from Schöningen, obtained at a temperature of 500°C, was separated and analyzed using hyphenation of gas chromatography with an atmospheric pressure chemical ionization source operated in negative ion mode and Fourier transform ion cyclotron resonance mass spectrometry (GC-APCI-FT-ICR-MS). Development of this ultrahigh-resolving analysis method is described, that is, optimization of specific GC and APCI parameters and performed data processing. The advantages of GC-APCI-FT-ICR-MS hyphenation, for example, soft ionization, ultrahigh-resolving detection, and most important isomer separation, were demonstrated for the sample liquid. For instance, it was possible to separate and identify nine different propylphenol, ethylmethylphenol, and trimethylphenol isomers. Furthermore, homologous series of different acids, for example, alkyl and alkylene carboxylic acids, were verified, as well as homologous series of alkyl phenols, alkyl dihydroxy benzenes, and alkoxy alkyl phenols. PMID:27066076

  4. Gas Chromatography/Atmospheric Pressure Chemical Ionization-Fourier Transform Ion Cyclotron Resonance Mass Spectrometry of Pyrolysis Oil from German Brown Coal.

    PubMed

    Zuber, Jan; Kroll, Marius M; Rathsack, Philipp; Otto, Matthias

    2016-01-01

    Pyrolysis oil from the slow pyrolysis of German brown coal from Schöningen, obtained at a temperature of 500°C, was separated and analyzed using hyphenation of gas chromatography with an atmospheric pressure chemical ionization source operated in negative ion mode and Fourier transform ion cyclotron resonance mass spectrometry (GC-APCI-FT-ICR-MS). Development of this ultrahigh-resolving analysis method is described, that is, optimization of specific GC and APCI parameters and performed data processing. The advantages of GC-APCI-FT-ICR-MS hyphenation, for example, soft ionization, ultrahigh-resolving detection, and most important isomer separation, were demonstrated for the sample liquid. For instance, it was possible to separate and identify nine different propylphenol, ethylmethylphenol, and trimethylphenol isomers. Furthermore, homologous series of different acids, for example, alkyl and alkylene carboxylic acids, were verified, as well as homologous series of alkyl phenols, alkyl dihydroxy benzenes, and alkoxy alkyl phenols.

  5. T dependence of vibrational dynamics of water in ion-exchanged zeolites A: a detailed Fourier transform infrared attenuated total reflection study.

    PubMed

    Crupi, Vincenza; Longo, Francesca; Majolino, Domenico; Venuti, Valentina

    2005-10-15

    In order to explore the influence of cation substitution on the vibrational dynamics of water molecules in zeolites, the evolution of structural properties of the O-H stretching band of water in fully hydrated Na-A and Mg-exchanged A zeolites has been studied, for different percentages of induced ion exchange, by Fourier transform infrared attenuated total reflection spectroscopy as a function of temperature. The differences revealed in the O-H stretching band shapes have been accounted by fitting the spectra as a sum of four components, corresponding to water molecules exhibiting different types of hydrogen bonding. The dependencies of the relative intensities, peak wave numbers, and bandwidths of the resolved components on temperature and Mg2+ content have been discussed. Evidence of the "structure-maker" role played by a zeolitic surface on physisorbed water, systematically enhanced by increasing the percentage of induced ion exchange, is given in the whole explored temperature range.

  6. Imaging Fourier Transform Spectrometer

    SciTech Connect

    Bennett, C.L.; Carter, M.R.; Fields, D.J.; Hernandez, J.

    1993-04-14

    The operating principles of an Imaging Fourier Transform Spectrometer (IFTS) are discussed. The advantages and disadvantages of such instruments with respect to alternative imaging spectrometers are discussed. The primary advantages of the IFTS are the capacity to acquire more than an order of magnitude more spectral channels than alternative systems with more than an order of magnitude greater etendue than for alternative systems. The primary disadvantage of IFTS, or FTS in general, is the sensitivity to temporal fluctuations, either random or periodic. Data from the IRIFTS (ir IFTS) prototype instrument, sensitive in the infrared, are presented having a spectral sensitivity of 0.01 absorbance units, a spectral resolution of 6 cm{sup {minus}1} over the range 0 to 7899 cm{sup {minus}1}, and a spatial resolution of 2.5 mr.

  7. Fourier Transform Spectrometer System

    NASA Technical Reports Server (NTRS)

    Campbell, Joel F. (Inventor)

    2014-01-01

    A Fourier transform spectrometer (FTS) data acquisition system includes an FTS spectrometer that receives a spectral signal and a laser signal. The system further includes a wideband detector, which is in communication with the FTS spectrometer and receives the spectral signal and laser signal from the FTS spectrometer. The wideband detector produces a composite signal comprising the laser signal and the spectral signal. The system further comprises a converter in communication with the wideband detector to receive and digitize the composite signal. The system further includes a signal processing unit that receives the composite signal from the converter. The signal processing unit further filters the laser signal and the spectral signal from the composite signal and demodulates the laser signal, to produce velocity corrected spectral data.

  8. Rainbow Fourier Transform

    NASA Technical Reports Server (NTRS)

    Alexandrov, Mikhail D.; Cairns, Brian; Mishchenko, Michael I.

    2012-01-01

    We present a novel technique for remote sensing of cloud droplet size distributions. Polarized reflectances in the scattering angle range between 135deg and 165deg exhibit a sharply defined rainbow structure, the shape of which is determined mostly by single scattering properties of cloud particles, and therefore, can be modeled using the Mie theory. Fitting the observed rainbow with such a model (computed for a parameterized family of particle size distributions) has been used for cloud droplet size retrievals. We discovered that the relationship between the rainbow structures and the corresponding particle size distributions is deeper than it had been commonly understood. In fact, the Mie theory-derived polarized reflectance as a function of reduced scattering angle (in the rainbow angular range) and the (monodisperse) particle radius appears to be a proxy to a kernel of an integral transform (similar to the sine Fourier transform on the positive semi-axis). This approach, called the rainbow Fourier transform (RFT), allows us to accurately retrieve the shape of the droplet size distribution by the application of the corresponding inverse transform to the observed polarized rainbow. While the basis functions of the proxy-transform are not exactly orthogonal in the finite angular range, this procedure needs to be complemented by a simple regression technique, which removes the retrieval artifacts. This non-parametric approach does not require any a priori knowledge of the droplet size distribution functional shape and is computationally fast (no look-up tables, no fitting, computations are the same as for the forward modeling).

  9. Chemistry of (and on) transition metal clusters: a Fourier transform ion cyclotron resonance study of the reaction of niobium cluster cations with nitric oxide.

    PubMed

    Harding, Daniel J; Oliver, Thomas A A; Walsh, Tiffany R; Drewello, Thomas; Woodruff, D Phil; Derrick, Peter J; Mackenzie, Stuart R

    2009-01-01

    The reactions of niobium cluster cations, Nb(+)(n) (n = 2-19), with nitric oxide have been investigated using Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR). The overall reaction rate constants are found to be in reasonable agreement with collision rates calculated using the surface charge capture model. The dominant reaction for small clusters (n <9) involves reaction-induced fragmentation resulting in the loss of either NbO or NbN. By contrast, the main reaction observed for the larger clusters (n> 11) is sequential NO chemisorption. Clusters n = 9, 10 exhibit both extremes of behaviour and are the only clusters upon which there is evidence of NO decomposition with N(2) loss observed whenever multiple NO molecules are co-adsorbed. The rate constants for each process have been determined as a function of cluster size.

  10. Combination of statistical methods and Fourier transform ion cyclotron resonance mass spectrometry for more comprehensive, molecular-level interpretations of petroleum samples.

    PubMed

    Hur, Manhoi; Yeo, Injoon; Park, Eunsuk; Kim, Young Hwan; Yoo, Jongshin; Kim, Eunkyoung; No, Myoung-han; Koh, Jaesuk; Kim, Sunghwan

    2010-01-01

    Complex petroleum mass spectra obtained by Fourier-transform ion cyclotron resonance mass spectrometry (FTICR MS) were successfully interpreted at the molecular level by applying principle component analysis (PCA) and hierarchical clustering analysis (HCA). A total of 40 mass spectra were obtained from 20 crude oil samples using both positive and negative atmospheric pressure photoionization (APPI). Approximately 400,000 peaks were identified at the molecular level. Conventional data analyses would have been impractical with so much data. However, PCA grouped samples into score plots based on their molecular composition. In this way, the overall compositional difference between samples could be easily displayed and identified by comparing score and loading plots. HCA was also performed to group and compare samples based on selected peaks that had been grouped by PCA. Subsequent heat map analyses revealed detailed compositional differences among grouped samples. This study demonstrates a promising new approach for studying multiple, complex petroleum samples at the molecular level.

  11. Hydropathic influences on the quantification of equine heart cytochrome c using relative ion abundance measurements by electrospray ionization fourier transform ion cyclotron resonance mass spectrometry.

    PubMed

    Gordon, E F; Mansoori, B A; Carroll, C F; Muddiman, D C

    1999-10-01

    The number of publications documenting the utility of electrospray ionization (ESI) Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) for the analysis of biological molecules has increased in geometric proportion spanning diverse areas of research. Currently, we are investigating the capabilities of ESI-FTICR to quantify relative molecular ion abundances of biopolymers, an area which has not been explored rigorously. We present here the results of an investigation of a two-component system utilizing equine heart cytochrome c (EH) as the analyte and bovine heart cytochrome c (BH) as a constant concentration internal standard. As these compounds are relatively large ( approximately 12 kDa), they will become multiply charged during the electrospray process. Using appropriate solution and instrument conditions, the 7(+) and 8(+) charge states were enhanced for both cytochrome c species. We report that using the average of the ion abundances for the two charge states observed for each species, the linear curve (intensity ratio vs concentration ratio) had a dynamic range of 0.045-2.348 microM (1.7 orders of magnitude). Linear least-squares regression analysis (LLSRA) of these averaged ion abundances (i.e. [(EH + 7H(+))(7+)/(BH + 7H(+))(7+) + (EH + 8H(+))(8+)/(BH + 8H(+))(8+)]/2) yielded the equation y = 1.005x + 0.027. The slope of the line with its calculated precision, reported as one standard deviation, is 1.005 +/- 0.0150, which is statistically ideal (i.e. equal to unity). However, LLSRA of the ion abundances of the two individual charge states were significantly different (i.e. the slope of the (EH + 7H(+))(7+)/(BH + 7H(+))(7+) peak intensity ratio vs molar ratio data was 0.885 +/- 0.0183 and the slope of the (EH + 8H(+))(8+)/(BH + 8H(+))(8+) data was 1.125 +/- 0.0308). We attribute this difference to the variation in primary amino acid sequence for the two cytochrome c species. Both have 104 amino acids, but there are three residue

  12. Study of cluster anions generated by laser ablation of titanium oxides: a high resolution approach based on Fourier transform ion cyclotron resonance mass spectrometry.

    PubMed

    Barthen, Nicolas; Millon, Eric; Aubriet, Frédéric

    2011-03-01

    Laser ablation of titanium oxides at 355 nm and ion-molecule reactions between [(TiO(2))(x)](-•) cluster anions and H(2)O or O(2) were investigated by Fourier transform ion cyclotron resonance mass spectrometry (FTICR MS) with an external ion source. The detected anions correspond to [(TiO(2))(x)(H(2)O)(y)OH](-) and [(TiO(2))(x)(H(2)O)(y)O(2)](-•) oxy-hydroxide species with x=1 to 25 and y=1, 2, or 3 and were formed by a two step process: (1) laser ablation, which leads to the formation of [(TiO(2))(x)](-•) cluster anions as was previously reported, and (2) ion-molecule reactions during ion storage. Reactions of some [(TiO(2))(x)](-•) cluster anions with water and dioxygen conducted in the FTICR cell confirm this assessment. Tandem mass spectrometry experiments were also performed in sustained off-resonance irradiation collision-induced dissociation (SORI-CID) mode. Three fragmentation pathways were observed: (1) elimination of water molecules, (2) O(2) loss for radical anions, and (3) fission of the cluster. Density functional theory (DFT) calculations were performed to explain the experimental data.

  13. Calibration laws based on multiple linear regression applied to matrix-assisted laser desorption/ionization Fourier transform ion cyclotron resonance mass spectrometry.

    PubMed

    Williams, D Keith; Chadwick, M Ashley; Williams, Taufika Islam; Muddiman, David C

    2008-12-01

    Operation of any mass spectrometer requires implementation of mass calibration laws to translate experimentally measured physical quantities into a m/z range. While internal calibration in Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) offers several attractive features, including exposure of calibrant and analyte ions to identical experimental conditions (e.g. space charge), external calibration affords simpler pulse sequences and higher throughput. The automatic gain control method used in hybrid linear trap quadrupole (LTQ) FT-ICR-MS to consistently obtain the same ion population is not readily amenable to matrix-assisted laser desorption/ionization (MALDI) FT-ICR-MS, due to the heterogeneous nature and poor spot-to-spot reproducibility of MALDI. This can be compensated for by taking external calibration laws into account that consider magnetic and electric fields, as well as relative and total ion abundances. Herein, an evaluation of external mass calibration laws applied to MALDI-FT-ICR-MS is performed to achieve higher mass measurement accuracy (MMA).

  14. Beyond Naphthenic Acids: Environmental Screening of Water from Natural Sources and the Athabasca Oil Sands Industry Using Atmospheric Pressure Photoionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry.

    PubMed

    Barrow, Mark P; Peru, Kerry M; Fahlman, Brian; Hewitt, L Mark; Frank, Richard A; Headley, John V

    2015-09-01

    There is a growing need for environmental screening of natural waters in the Athabasca region of Alberta, Canada, particularly in the differentiation between anthropogenic and naturally-derived organic compounds associated with weathered bitumen deposits. Previous research has focused primarily upon characterization of naphthenic acids in water samples by negative-ion electrospray ionization methods. Atmospheric pressure photoionization is a much less widely used ionization method, but one that affords the possibility of observing low polarity compounds that cannot be readily observed by electrospray ionization. This study describes the first usage of atmospheric pressure photoionization Fourier transform ion cyclotron resonance mass spectrometry (in both positive-ion and negative-ion modes) to characterize and compare extracts of oil sands process water, river water, and groundwater samples from areas associated with oil sands mining activities. When comparing mass spectra previously obtained by electrospray ionization and data acquired by atmospheric pressure photoionization, there can be a doubling of the number of components detected. In addition to polar compounds that have previously been observed, low-polarity, sulfur-containing compounds and hydrocarbons that do not incorporate a heteroatom were detected. These latter components, which are not amenable to electrospray ionization, have potential for screening efforts within monitoring programs of the oil sands.

  15. Beyond Naphthenic Acids: Environmental Screening of Water from Natural Sources and the Athabasca Oil Sands Industry Using Atmospheric Pressure Photoionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

    NASA Astrophysics Data System (ADS)

    Barrow, Mark P.; Peru, Kerry M.; Fahlman, Brian; Hewitt, L. Mark; Frank, Richard A.; Headley, John V.

    2015-09-01

    There is a growing need for environmental screening of natural waters in the Athabasca region of Alberta, Canada, particularly in the differentiation between anthropogenic and naturally-derived organic compounds associated with weathered bitumen deposits. Previous research has focused primarily upon characterization of naphthenic acids in water samples by negative-ion electrospray ionization methods. Atmospheric pressure photoionization is a much less widely used ionization method, but one that affords the possibility of observing low polarity compounds that cannot be readily observed by electrospray ionization. This study describes the first usage of atmospheric pressure photoionization Fourier transform ion cyclotron resonance mass spectrometry (in both positive-ion and negative-ion modes) to characterize and compare extracts of oil sands process water, river water, and groundwater samples from areas associated with oil sands mining activities. When comparing mass spectra previously obtained by electrospray ionization and data acquired by atmospheric pressure photoionization, there can be a doubling of the number of components detected. In addition to polar compounds that have previously been observed, low-polarity, sulfur-containing compounds and hydrocarbons that do not incorporate a heteroatom were detected. These latter components, which are not amenable to electrospray ionization, have potential for screening efforts within monitoring programs of the oil sands.

  16. High performance detection of biomolecules using a high magnetic field electrospray ionization source/Fourier transform ion cyclotron resonance mass spectrometer

    NASA Astrophysics Data System (ADS)

    Guan, Ziqiang; Campbell, Victoria L.; Drader, Jared J.; Hendrickson, Christopher L.; Laude, David A., Jr.

    1995-09-01

    An improved, high-performance version of the concentric vacuum chamber design is shown for forming ions at high pressure in a strong magnetic field and detecting them in an adjacent Fourier transform ion cyclotron resonance mass spectrometry (FTICR) trapped ion cell. Improvements in system design, including primarily the addition of a mechanical shutter to halt the flow of neutrals to the trapped ion cell during FTICR detection, allow a more than 100-fold improvement in pressure drop between the source and analyzer chamber to be realized. Within a 20 cm distance, ions formed in an electrospray ion source at atmosphere are transported across five concentric tube conductance limits to a trapped ion cell at a shuttered pressure below 2×10-9 Torr. High resolution detection of electrosprayed proteins is demonstrated and, for example, mass resolutions of 1×105 for the +14 charge state of horse heart myoglobin (at m/z 1211) and 2×105 for +5 charge state of bovine insulin (at m/z 1147) are obtained. The original advantages of the concentric tube vacuum chamber are retained. Forming the ions within the magnetic field permits a 40-fold enhancement in sensitivity to be obtained. Narrow kinetic energy distributions are achieved because magnetic field confinement eliminates the need for complex electric focusing assemblies that exhibit mass discrimination and broaden the kinetic energy distribution. Finally, the shutter is demonstrated to serve effectively as an alternative to pulsed valve assemblies for the transient introduction of a collision gas to the trapped ion cell.

  17. Comparing Laser Desorption Ionization and Atmospheric Pressure Photoionization Coupled to Fourier Transform Ion Cyclotron Resonance Mass Spectrometry To Characterize Shale Oils at the Molecular Level

    USGS Publications Warehouse

    Cho, Yunjo; Jin, Jang Mi; Witt, Matthias; Birdwell, Justin E.; Na, Jeong-Geol; Roh, Nam-Sun; Kim, Sunghwan

    2013-01-01

    Laser desorption ionization (LDI) coupled to Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) was used to analyze shale oils. Previous work showed that LDI is a sensitive ionization technique for assessing aromatic nitrogen compounds, and oils generated from Green River Formation oil shales are well-documented as being rich in nitrogen. The data presented here demonstrate that LDI is effective in ionizing high-double-bond-equivalent (DBE) compounds and, therefore, is a suitable method for characterizing compounds with condensed structures. Additionally, LDI generates radical cations and protonated ions concurrently, the distribution of which depends upon the molecular structures and elemental compositions, and the basicity of compounds is closely related to the generation of protonated ions. This study demonstrates that LDI FT-ICR MS is an effective ionization technique for use in the study of shale oils at the molecular level. To the best of our knowledge, this is the first time that LDI FT-ICR MS has been applied to shale oils.

  18. New Vanadium Compounds in Venezuela Heavy Crude Oil Detected by Positive-ion Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

    NASA Astrophysics Data System (ADS)

    Zhao, Xu; Shi, Quan; Gray, Murray R.; Xu, Chunming

    2014-06-01

    Metalloporphyrins are ubiquitous in nature, particularly iron porphyrins (hemes) and magnesium dihydroporphyrins or chlorophylls. Oxovanadium (IV) complexes of alkyl porphyrins are widely distributed in petroleum, oil shales and maturing sedimentary bitumen. Here we identify new vanadium compounds in Venezuela Orinoco heavy crude oil detected by Fourier transform-ion cyclotron resonance mass spectrometry (FT-ICR MS). These compounds likely have the main structure of porphyrin, with the addition of more aromatic rings, thiophene and amino functional groups, corresponding to molecular series of CnH2n-40N4V1O1 (36 <= n <= 58),CnH2n-42N4V1O1 (37 <= n <= 57),CnH2n-44N4V1O1 (38 <= n <= 59),CnH2n-46N4V1O1 (43 <= n <= 54),CnH2n-48N4V1O1 (45 <= n <= 55),CnH2n-38N4V1S1O1 (36 <= n <= 41),CnH2n-40N4V1S1O1 (35 <= n <= 51),CnH2n-42N4V1S1O1 (36 <= n <= 54),CnH2n-44N4V1S1O1 (41 <= n <= 55),CnH2n-46N4V1S1O1 (39 <= n <= 55),CnH2n-27N5V1O1 (29 <= n <= 40),CnH2n-29N5V1O1 (34 <= n <= 42),CnH2n-33N5V1O1 (31 <= n <= 38),CnH2n-35N5V1O1 (32 <= n <= 41),CnH2n-27N5V1O2 (32 <= n <= 41) and CnH2n-29N5V1O2 (33 <= n <= 42). These findings are significant for the understanding of the existing form of vanadium species in nature, and are helpful for enhancing the amount of information on palaeoenvironments and improving the level of applied basic theory for the processing technologies of heavy oils.

  19. New Vanadium Compounds in Venezuela Heavy Crude Oil Detected by Positive-ion Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

    PubMed Central

    Zhao, Xu; Shi, Quan; Gray, Murray R.; Xu, Chunming

    2014-01-01

    Metalloporphyrins are ubiquitous in nature, particularly iron porphyrins (hemes) and magnesium dihydroporphyrins or chlorophylls. Oxovanadium (IV) complexes of alkyl porphyrins are widely distributed in petroleum, oil shales and maturing sedimentary bitumen. Here we identify new vanadium compounds in Venezuela Orinoco heavy crude oil detected by Fourier transform-ion cyclotron resonance mass spectrometry (FT-ICR MS). These compounds likely have the main structure of porphyrin, with the addition of more aromatic rings, thiophene and amino functional groups, corresponding to molecular series of CnH2n-40N4V1O1 (36 ≤ n ≤ 58),CnH2n-42N4V1O1 (37 ≤ n ≤ 57),CnH2n-44N4V1O1 (38 ≤ n ≤ 59),CnH2n-46N4V1O1 (43 ≤ n ≤ 54),CnH2n-48N4V1O1 (45 ≤ n ≤ 55),CnH2n-38N4V1S1O1 (36 ≤ n ≤ 41),CnH2n-40N4V1S1O1 (35 ≤ n ≤ 51),CnH2n-42N4V1S1O1 (36 ≤ n ≤ 54),CnH2n-44N4V1S1O1 (41 ≤ n ≤ 55),CnH2n-46N4V1S1O1 (39 ≤ n ≤ 55),CnH2n-27N5V1O1 (29 ≤ n ≤ 40),CnH2n-29N5V1O1 (34 ≤ n ≤ 42),CnH2n-33N5V1O1 (31 ≤ n ≤ 38),CnH2n-35N5V1O1 (32 ≤ n ≤ 41),CnH2n-27N5V1O2 (32 ≤ n ≤ 41) and CnH2n-29N5V1O2 (33 ≤ n ≤ 42). These findings are significant for the understanding of the existing form of vanadium species in nature, and are helpful for enhancing the amount of information on palaeoenvironments and improving the level of applied basic theory for the processing technologies of heavy oils. PMID:24948028

  20. Observation of vanadyl porphyrins and sulfur-containing vanadyl porphyrins in a petroleum asphaltene by atmospheric pressure photonionization Fourier transform ion cyclotron resonance mass spectrometry.

    PubMed

    Qian, Kuangnan; Mennito, Anthony S; Edwards, Kathleen E; Ferrughelli, Dave T

    2008-07-01

    Vanadyl (VO) porphyrins and sulfur-containing vanadyl (VOS) porphyrins of a wide carbon number range (C(26) to C(52)) and Z-number range (-28 to -54) were detected and identified in a petroleum asphaltene by atmospheric pressure photonionization (APPI) and Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS). APPI provides soft ionization of asphaltene molecules (including VO and VOS porphyrins), generating primarily molecular ions (M(+.)). The ultra-high mass resolving power (m/Delta m(FWHM) approximately 500 K) of FTICR-MS enabled resolution and positive identification of elemental formulae for the entire family of VO and VOS porphyrins in a complicated asphaltene matrix. Deocophylerythro-etioporphyrin (DPEP) is found to be the most prevalent structure, followed by etioporphyrins (etio)- and rhodo (benzo)-DPEP. The characteristic Z-distribution of VO porphyrins suggests benzene and naphthene increment in the growth of porphyrin ring structures. Bimodal carbon number distributions of VO porphyrins suggest possible different origins of low and high molecular weight species. To our knowledge, the observation of VOS porphyrins in a petroleum product has not previously been reported. The work is also the first direct identification of the entire vanadyl porphyrin family by ultra-high resolution mass spectrometry without chromatographic separation or demetallation.

  1. Analysis of cancer cell lipids using matrix-assisted laser desorption/ionization 15-T Fourier transform ion cyclotron resonance mass spectrometry.

    PubMed

    Yang, Hyo-Jik; Park, Kyu Hwan; Lim, Dong Wan; Kim, Hyun Sik; Kim, Jeongkwon

    2012-03-30

    A combination of methodologies using the extremely high mass accuracy and resolution of 15-T Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry (MS) was introduced for the identification of intact cancer cell phospholipids. Lipids from a malignant glioma cell line were initially analyzed at a resolution of >200,000 and identified by setting the mass tolerance to ±1 mDa using matrix-assisted laser desorption/ionization (MALDI) 15-T FT-ICR MS in positive ion mode. In most cases, a database search of potential lipid candidates using the exact masses of the lipids yielded only one possible chemical composition. Extremely high mass accuracy (<0.1 ppm) was then attained by using previously identified lipids as internal standards. This, combined with an extremely high resolution (>800,000), yielded well-resolved isotopic fine structures allowing for the identification of lipids by MALDI 15-T FT-ICR MS without using tandem mass spectrometric (MS/MS) analysis. Using this method, a total of 38 unique lipids were successfully identified.

  2. Fourier Transform Spectroscopy, Eleventh International Conference. Proceedings

    SciTech Connect

    de Haseth, J.A.

    1998-05-01

    These proceedings represent the papers presented at the Eleventh International Conference on Fourier Transform Spectroscopy held in August, 1997 in Athens, Georgia, USA. The Conference provided an atmosphere for people of diverse backgrounds to congregate and exchange information. The topics discussed included applications of Fourier transform spectroscopy to surface science, biological systems, atmospheric science, forensics and textiles, etc. Biochemical and biomedical studies utilizing Fourier Transform infrared spectroscopy formed a large section of the Conference Applications to semiconductor industry, namely monitoring of CVD processes and photoresists were also discussed. Most of the applications were in the near and mid infrared, with a few extending to the far infrared and visible regions of the electromagnetic spectrum. In the Keynote Address, Fourier Transform Ion Cyloctron Resonance Spectroscopy was reviewed by Professor Alan G. Marshall of the National High Magnetic Field Laboratory in Florida. Altogether 152 papers were presented at the Conference and out of these, 15 have been abstracted for the Energy, Science and Technology database. (AIP)

  3. External second-gate Fourier transform ion mobility spectrometry: parametric optimization for detection of weapons of mass destruction

    NASA Astrophysics Data System (ADS)

    Tarver, Edward E.

    2004-09-01

    Ion mobility spectrometry (IMS) is recognized as one of the most sensitive and robust techniques for the detection of narcotics, explosives and chemical warfare agents. IMS is widely used in forensic, military and security applications. Increasing threat of terrorist attacks, the proliferation of narcotics, Chemical Weapons Convention (CWC) treaty verification as well as humanitarian de-mining efforst have mandated that equal importance be placed on the time required to obtain results as well as the quality of the analytical data. In this regard IMS is virtually unrivaled when both speed of response and sensitivity have to be considered. The problem with conventional (signal averaging) IMS systems is the fixed duty cycle of the entrance gate that restricts to less than 1%, the number of available ions contributing to the measured signal. Furthermore, the signal averaging process incorporates scan-to-scan variations that degrade the spectral resolution contributing to misidentifications and false positives.

  4. Conductivity study and fourier transform infrared (FTIR) characterization of methyl cellulose solid polymer electrolyte with sodium iodide conducting ion

    SciTech Connect

    Abiddin, Jamal Farghali Bin Zainal; Ahmad, Azizah Hanom

    2015-08-28

    Sodium ion (Na{sup +}) based solid polymer electrolyte (SPE) has been prepared using solution cast technique with distilled water as solvent and Methylcellulose (MC) as a polymer host. Methylcellulose polymer was chosen as the polymer host due to the abundance of lone pair electrons in the carbonyl and C-O-C constituents, which in turn provide multiple hopping sites for the Na{sup +} conducting ions. Variable compositions of sodium iodide (NaI) salt were prepared to investigate the optimum MC-NaI weight ratio. Results from Electrical Impedance Spectroscopy (EIS) technique show that pure methylcellulose has a low conductivity of 3.61 × 10{sup −11} S/cm.The conductivity increases as NaI content increases up to optimum NaIcomposition of 40 wt%, which yields an average conductivity of 2.70 × 10{sup −5} S/cm.

  5. Multiphoton Ionization of Laser-Desorbed Neutral Molecules in a Fourier Transform Ion Cyclotron Resonance Mass Spectrometer

    DTIC Science & Technology

    1990-05-19

    dissociates when irradiated with a gated pulse of light from a continuous wave carbon dioxide laser , forming two fragment ions at m/z = 200 and 171...this manner to laser photodissociation in a unique 3- laser experiment in which a third (gated, continuous- wave (cw) CO) laser has been used to...pathway shown in Figure 1), thus allowing the beam to travel through the center of the cell. Typical UV laser pulse energies were on the order of 50-100

  6. κ-deformed Fourier transform

    NASA Astrophysics Data System (ADS)

    Scarfone, A. M.

    2017-08-01

    We present a new formulation of Fourier transform in the picture of the κ-algebra derived in the framework of the κ-generalized statistical mechanics. The κ-Fourier transform is obtained from a κ-Fourier series recently introduced by Scarfone (2013). The kernel of this transform, that reduces to the usual exponential phase in the κ → 0 limit, is composed by a κ-deformed phase and a damping factor that gives a wavelet-like behaviour. We show that the κ-Fourier transform is isomorph to the standard Fourier transform through a changing of time and frequency variables. Nevertheless, the new formalism is useful to study, according to Fourier analysis, those functions defined in the realm of the κ-algebra. As a relevant application, we discuss the central limit theorem for the κ-sum of n-iterate statistically independent random variables.

  7. Converging beam optical Fourier transforms

    NASA Astrophysics Data System (ADS)

    Puang-ngern, Srisuda; Almeida, Silverio P.

    1985-08-01

    The classical, most often used, system for performing the optical Fourier transform is by using parallel coherent beam illumination. Lenses used in this method can become quite costly. In this paper we present results obtained using converging beam illumination which is suitable for many applications and is less expensive than the parallel beam method. The input objects for which the Fourier transforms were made are transparencies of snowflakes.

  8. Characterization of petroleum products by laser-induced acoustic desorption in a Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer

    NASA Astrophysics Data System (ADS)

    Pinkston, David S.

    Many petroleum products, in particular large nonpolar saturated hydrocarbons, have proven difficult to analyze via mass spectrometry due to their low volatility, lack of basic or acidic groups needed for most ionization methods, and low activation energies for fragmentation after ionization. The above limitation has been addressed by using laser-induced acoustic desorption (LIAD) to evaporate nonvolatile and thermally labile petroleum components for analysis in a Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. The gaseous neutral analytes were ionized by electron impact. Model compounds were studied first to test the viability of this method. After that, different types of asphaltenes were characterized successfully. For example, the molecular weight distribution of a North American asphaltene was determined. A comparison between asphaltene samples obtained from different geographical locations showed distinct molecular weight characteristics, possibly allowing for the determination of an unknown asphaltene sample's geographic origin. Asphaltenes were also characterized via electrospray ionization (ESI) in a linear quadrupole ion trap (LQIT). The observed molecular weight distribution had an extended tail past 2000 Da. Collision-activated dissociation (CAD) experiments on isolated ions revealed that water aggregation was present in this analysis. The observed molecular weight distribution of asphaltenes reduced dramatically when water was eliminated from the system. The usefulness of a new chemical ionization reagent, ClMn(H2O) +, is also discussed. This reagent has been shown to ionize hydrocarbons without fragmentation to yield [ClMnR]+, where R is the hydrocarbon, thus providing molecular weight information. CAD of the [ClMnR]+ ions is demonstrated to allow the differentiation of isomeric hydrocarbons. Finally, the LIAD/ClMn(H2O)+ mass spectrometric method was applied to the successful analysis of various petroleum fractions and asphaltene

  9. Metabolic profile of salidroside in rats using high-performance liquid chromatography combined with Fourier transform ion cyclotron resonance mass spectrometry.

    PubMed

    Han, Fei; Li, Yan-ting; Mao, Xin-juan; Zhang, Xiao-shu; Guan, Jiao; Song, Ai-hua; Yin, Ran

    2016-03-01

    A high-performance liquid chromatography coupled to Fourier transform ion cyclotron resonance mass spectrometry (HPLC-FT-ICR MS) method was developed to study the in vivo metabolism of salidroside for the first time. Plasma, urine, bile, and feces samples were collected from male rats after a single intragastric gavage of salidroside at a dose of 50 mg/kg. Besides the parent drug, a total of seven metabolites (three phase I and four phase II metabolites) were detected and tentatively identified by comparing their mass spectrometry profiles with those of salidroside. Results indicated that metabolic pathways of salidroside in male rats included hydroxylation, dehydrogenation, glucuronidation, and sulfate conjugation. Among them, glucuronidation and sulfate conjugation were the major metabolic reactions. And most important, the detection of the sulfation metabolite of p-tyrosol provides a clue for whether the deglycosylation of salidroside occurs in vivo after intragastric gavage. In summary, results obtained in this study may contribute to the better understanding of the safety and mechanism of action of salidroside.

  10. Chemical cross-linking of the urease complex from Helicobacter pylori and analysis by Fourier transform ion cyclotron resonance mass spectrometry and molecular modeling

    NASA Astrophysics Data System (ADS)

    Carlsohn, Elisabet; Ångström, Jonas; Emmett, Mark R.; Marshall, Alan G.; Nilsson, Carol L.

    2004-05-01

    Chemical cross-linking of proteins is a well-established method for structural mapping of small protein complexes. When combined with mass spectrometry, cross-linking can reveal protein topology and identify contact sites between the peptide surfaces. When applied to surface-exposed proteins from pathogenic organisms, the method can reveal structural details that are useful in vaccine design. In order to investigate the possibilities of applying cross-linking on larger protein complexes, we selected the urease enzyme from Helicobacter pylori as a model. This membrane-associated protein complex consists of two subunits: [alpha] (26.5 kDa) and [beta] (61.7 kDa). Three ([alpha][beta]) heterodimers form a trimeric ([alpha][beta])3 assembly which further associates into a unique dodecameric 1.1 MDa complex composed of four ([alpha][beta])3 units. Cross-linked peptides from trypsin-digested urease complex were analyzed by Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) and molecular modeling. Two potential cross-linked peptides (present in the cross-linked sample but undetectable in [alpha], [beta], and native complex) were assigned. Molecular modeling of urease [alpha][beta] complex and trimeric urease units ([alpha][beta])3 revealed a linkage site between the [alpha]-subunit and the [beta]-subunit, and an internal cross-linkage in the [beta]-subunit.

  11. Detection of Non-aromatic Organic Compounds in Meteorites using Imaging Laser Desorption/Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

    NASA Astrophysics Data System (ADS)

    Scott, J. R.; Hinman, N. W.; Richardson, C. D.; Mahon, R. C.; McJunkin, T. R.

    2009-12-01

    Our most extensive understanding of extraterrestrial organic matter is based on what has been learned from meteorites that have been delivered naturally to Earth. Meteorites have been analyzed by a variety of techniques ranging from extensive sample preparation with extraction and subsequent chromatography to direct laser desorption mass spectrometry (LDMS). While extraction studies have reported a variety of organics (e.g., aliphatic and aromatic hydrocarbons, ketones, aldehydes, and amino acids), LDMS studies have only reported polycyclic aromatic hydrocarbons (PAHs). This is rather surprising considering that Yan et al. (Talanta 2007, 72, 634-641) reported that even a small amount of PAH enables the detection of organics that are not otherwise ionized during the desorption event from minerals. Therefore, we have begun re-investigating meteorites because, regardless of the source of the organic compounds, the presences of PAHs should allow other organic molecules to be observed using imaging laser desorption/ionization Fourier transform ion cyclotron resonance mass spectrometry (LD-FTICR-MS). Indeed, we have mapped meteorites (e.g., EETA 79001) and found many mass-to-charge peaks that are non-aromatic as determined by analysis of their mass defects. Mapping also revealed that the distribution of organics is heterogeneous, which necessitates the collection of a mass spectrum from a single laser shot so that minor peaks of interest are not lost in signal averaging. These studies have implications for analyzing future returned samples from Mars or elsewhere with minimal preparation or damage.

  12. Characterization of organic material in ice core samples from North America, Greenland, and Antarctica using ultrahigh resolution Fourier transform ion cyclotron resonance mass spectrometry

    NASA Astrophysics Data System (ADS)

    Catanzano, V.; Grannas, A. M.; Sleighter, R. L.; Hatcher, P. G.

    2013-12-01

    Historically, it has been an analytical challenge to detect and identify the organic components present in ice cores, due to the low abundance of organic carbon. In order to detect and characterize the small amounts of organic matter in ice cores, ultra high resolution instrumentation is required. Here we report the use of ultrahigh resolution Fourier transform ion cyclotron resonance mass spectrometry, coupled with electrospray ionization, to identify the molecular formulas and compound classes of organic matter in both modern and ancient ice core and glacial samples from Wyoming, Greenland, and Antarctica. A suite of 21 samples were analyzed and thousands of distinct molecular species were identified in each sample, providing clues to the nature and sources of organic matter in these regions. Major biochemical classes of compounds were detected such as lignins, tannins, carbohydrates, proteins, lipids, unsaturated hydrocarbons, and condensed aromatic compounds. We will compare the nature of the organic matter present in the samples in order to determine the differences in dominant organic compound classes and in heteroatom (nitrogen and sulfur) abundance. By analyzing these differences, it is possible to investigate the historical patterns of organic matter deposition/source, and begin to investigate the influence of climate change, volcanism, and onset of the industrial revolution on the nature of organic matter preserved in ice cores.

  13. High-molecular weight sulfur-containing aromatics refractory to weathering as determined by Fourier transform ion cyclotron resonance mass spectrometry.

    PubMed

    Hegazi, Abdelrahman H; Fathalla, Eiman M; Panda, Saroj K; Schrader, Wolfgang; Andersson, Jan T

    2012-09-01

    Biomarkers and low-molecular weight polyaromatic compounds have been extensively studied for their fate in the environment. They are used for oil spill source identification and monitoring of weathering and degradation processes. However, in some cases, the absence or presence of very low concentration of such components restricts the access of information to spill source. Here we followed the resistance of high-molecular weight sulfur-containing aromatics to the simulated weathering condition of North Sea crude oil by ultra high-resolution Fourier transform ion cyclotron resonance mass spectrometry. The sulfur aromatics in North Sea crude having double bond equivalents (DBE) from 6 to 14 with a mass range 188-674Da were less influenced even after 6 months artificial weathering. Moreover, the ratio of dibenzothiophenes (DBE 9)/naphthenodibenzothiophenes (DBE 10) was 1.30 and 1.36 in crude oil and 6 months weathered sample, respectively reflecting its weathering stability. It also showed some differences within other oils. Hence, this ratio can be used as a marker of the studied crude and accordingly may be applied for spilled oil source identification in such instances where the light components have already been lost due to environmental influences.

  14. Pathway confirmation and flux analysis of central metabolicpathways in Desulfovibrio vulgaris Hildenborough using GasChromatography-Mass Spectrometry and Fourier Transform-Ion CyclotronResonance Mass Spectrometry

    SciTech Connect

    Tang, Yinjie; Pingitore, Francesco; Mukhopadhyay, Aindrila; Phan,Richard; Hazen, Terry C.; Keasling, Jay D.

    2007-03-15

    Flux distribution in central metabolic pathways ofDesulfovibrio vulgaris Hildenborough was examined using 13C tracerexperiments. Consistent with the current genome annotation andindependent evidence from enzyme activity assays, the isotopomer resultsfrom both GC-MS and Fourier Transform-Ion Cyclotron Resonance massspectrometry (FT-ICR MS) indicate the lack of oxidatively functional TCAcycle and an incomplete pentose phosphate pathway. Results from thisstudy suggest that fluxes through both pathways are limited tobiosynthesis. The data also indicate that>80 percent of the lactatewas converted to acetate and the reactions involved are the primary routeof energy production (NAD(P)H and ATP production). Independent of the TCAcycle, direct cleavage of acetyl-CoA to CO and 5,10-methyl-THF also leadsto production of NADH and ATP. Although the genome annotation implicatesa ferredoxin-dependentoxoglutarate synthase, isotopic evidence does notsupport flux through this reaction in either the oxidative or reductivemode; therefore, the TCA cycle is incomplete. FT-ICR MS was used tolocate the labeled carbon distribution in aspartate and glutamate andconfirmed the presence of an atypical enzyme for citrate formationsuggested in previous reports (the citrate synthesized by this enzyme isthe isotopic antipode of the citrate synthesized by the (S)-citratesynthase). These findings enable a better understanding of the relationbetween genome annotation and actual metabolic pathways in D. vulgaris,and also demonstrate FT-ICR MS as a powerful tool for isotopomeranalysis, overcoming problems in both GC-MS and NMRspectroscopy.

  15. Rapid characterization of the chemical constituents of Cortex Fraxini by homogenate extraction followed by UHPLC coupled with Fourier transform ion cyclotron resonance mass spectrometry and GC-MS.

    PubMed

    Wang, Yinan; Han, Fei; Song, Aihua; Wang, Miao; Zhao, Min; Zhao, Chunjie

    2016-11-01

    Cortex Fraxini is an important traditional Chinese medicine. In this work, a rapid and reliable homogenate extraction method was applied for the fast extraction for Cortex Fraxini, and the method was optimized by response surface methodology. Ultra high performance liquid chromatography combined with Fourier transform ion cyclotron resonance mass spectrometry and gas chromatography with mass spectrometry were established for the separation and characterization of the constituents of Cortex Fraxini. Liquid chromatography separation was conducted on a C18 column (150 mm × 2.1 mm, 1.8 μm), and gas chromatography separation was performed on a capillary with a 5% phenyl-methylpolysiloxane stationary phase (30 m × 0.25 mm × 0.25 mm) by injection of silylated samples. According to the results, 33 chemical compounds were characterized by liquid chromatography with mass spectrometry, and 11 chemical compounds were characterized by gas chromatography with mass spectrometry, and coumarins were the major components characterized by both gas chromatography with mass spectrometry and liquid chromatography with mass spectrometry. The proposed homogenate extraction was an efficient and rapid method, and coumarins, phenylethanoid glycosides, iridoid glycosides, phenylpropanoids, and lignans were the main constituents of Cortex Fraxini. This work laid the foundation for further study of Cortex Fraxini and will be helpful for the rapid extraction and characterization of ingredients in other traditional Chinese medicines. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Chemical Composition of Microbe-derived Dissolved Organic Matter in Cryoconite in Tibetan Plateau Glaciers: Insights from Fourier Transform Ion Cyclotron Resonance Mass Spectrometry Analysis

    NASA Astrophysics Data System (ADS)

    Lin, F.; Zhong, X. J.; Shichang, K.; Xiaofei, L.; Yang, L.; Quan, S.; Bin, J.

    2016-12-01

    ryoconite in mountain glaciers plays important roles in glacial ablation and biogeochemical cycles. The compositions and sources of dissolved organic matter (DOM) in cryoconite from the ablation regions of two Tibetan Plateau glaciers were determined using ultrahigh-resolution electrospray-ionization Fourier-transform ion cyclotron resonance mass spectrometry and fluorescence spectrometry. A marked absorbance between 300 and 350 nm in the DOM absorption spectra was consistent with microbe-derived mycosporine-like amino acids. The high-resolution mass spectra showed cryoconite DOM from both glaciers contained diverse lignins, lipids, proteins, and unsaturated hydrocarbons. The lipids and proteins were consistent with material from microbial sources, and the lignins and unsaturated hydrocarbons were probably from vascular plant material supplied in atmospheric aerosols and debris from around the glaciers. Almost one third of the identified DOM molecules had low C/N ratios (≤20), indicating their bioavailability. Using a conservative cryoconite distribution on Chinese mountain glacier surfaces and an average debris mass per square meter of cryoconite, we found that cryoconite in Chinese glaciers could produce as much as 0.5 Gg of dissolved organic carbon per year. This dissolved organic carbon may absorb solar radiation, accelerating glacial melting, and could be an important source of bioavailable DOM to proglacier and downstream ecosystems. Key words:cryoconite, DOM, FT-ICR-MS

  17. Enrichment, resolution, and identification of nickel porphyrins in petroleum asphaltene by cyclograph separation and atmospheric pressure photoionization Fourier transform ion cyclotron resonance mass spectrometry.

    PubMed

    Qian, Kuangnan; Edwards, Kathleen E; Mennito, Anthony S; Walters, Clifford C; Kushnerick, J Douglas

    2010-01-01

    We report here the first high resolution mass spectrometric evidence of nickel porphyrins in petroleum. A petroleum asphaltene sample is fractionated by a silica-gel cyclograph. Nickel content is enriched by approximately 3 fold in one of the cyclograph fractions. The fraction is subsequently analyzed by atmospheric pressure photoionization (APPI) Fourier transform ion cyclotron resonance mass spectrometry (FTICR MS) with an average mass resolving power of over 500 K (M/DeltaM(fwhm)). Similar to vanadyl porphyrins, monocylcoalkano-type (presumed to be deocophylerythro-etioporphyrin DPEP) Ni porphyrins are found to be the most abundant family followed by etio, bicycloalkano-type, and rhodo-monocylcoalkano-type Ni porphyrins. A Z number ranging from -28 to -44 and a carbon number ranging from 26 to 41 were observed. A significant amount of nickel and vanadyl geoporphyrins are in more condensed tetrapyrrolic cores than just chlorophyll-derived DPEP- and etioporphyrins. Ni has a higher etio/DPEP ratio and rhodo-etio/rhodo-DPEP ratio than does VO.

  18. The Use of Accurate Mass Tags based upon High-Throughput Fourier Transform Ion Cyclotron Resonance Mass Spectrometry for Global Proteomic Characterization

    SciTech Connect

    Camp, David G.; Smith, Richard D.

    2004-07-30

    In this review, we describe the technological basis and progress towards a new global proteomics strategy that uses peptide accurate mass measurements augmented by information from separations (e.g. LC retention times) to provide large improvements in sensitivity, dynamic range, comprehensiveness and throughput. The use of ?accurate mass and time? (AMT) tags serves to eliminate the need for routine MS/MS measurements [#4109]. As the case study, we use our own research efforts to illustrate the role of AMTs within the broader context of a state-of-the-art proteomics effort. Our strategy exploits high-resolution capillary LC separations combined with Fourier transform ion cyclotron resonance mass spectrometry (FTICR). AMTs represent peptide biomarkers and can be used to confidently identify proteins based on the high mass measurement accuracy provided by FTICR combined with LC elution times. Once identified using MS/MS, these biomarkers provide the foundation for subsequent high throughput studies using only AMT tags to identify and quantify the proteins expressed within a cell system. Key attractions of this approach include the feasibility of completely automated high confidence protein identifications, extensive proteome coverage, and the capability for exploiting stable-isotope labeling methods for high precision abundance measurements [#4019]. Additional developments described in this review include methods for more effective coverage of membrane proteins [#4184], for dynamic range expansion of proteome measurements [#4012], and for multi-stage separations that promise to enable more focused analyses, further extend the quality of measurements, and also extend measurements to more complex proteomes.

  19. Molecular Characterization of Thiols in Fossil Fuels by Michael Addition Reaction Derivatization and Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry.

    PubMed

    Wang, Meng; Zhao, Suoqi; Liu, Xuxia; Shi, Quan

    2016-10-04

    Thiols widely occur in sediments and fossil fuels. However, the molecular composition of these compounds is unclear due to the lack of appropriate analytical methods. In this work, a characterization method for thiols in fossil fuels was developed on the basis of Michael addition reaction derivatization followed by electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI FT-ICR MS). Model thiol compound studies showed that thiols were selectively reacted with phenylvinylsulfone and transformed to sulfones with greater than 98% conversions. This method was applied to a coker naphtha, light and heavy gas oils, and crude oils from various geological sources. The results showed that long alkyl chain thiols are readily present in petroleum, which have up to 30 carbon atoms. Large DBE dispersity of thiols indicates that naphthenic and aromatic thiols are also present in the petroleum. This method is capable of detecting thiol compounds in the part per million range by weight. This method allows characterization of thiols in a complex hydrocarbon matrix, which is complementary to the comprehensive analysis of sulfur compounds in fossil fuels.

  20. High-resolution Fourier transform emission spectroscopy of the A˜ 2Πi -X˜ 2Πi band of the OCS+ ion

    NASA Astrophysics Data System (ADS)

    Nakashima, Yoshihiro; Harada, Kensuke; Tanaka, Keiichi; Tanaka, Takehiko

    2017-04-01

    High resolution Fourier transform emission spectroscopy of the A˜ 2Πi -X˜ 2Πi band of the OCS+ ion was performed in the UV region to observe the ν1 (CO stretch) progression bands (υ1 = 0 → 2-5) for both the Ω =3 /2 and 1/2 spin components. Accurate molecular constants including the rotational constants, B0 = 0.194 765(13) and 0.187 106(13) cm-1, and the spin-orbit interaction constants, A0 = -381.0(56) and -126.5(56) cm-1, were determined for the X˜ 2Π and A˜ 2Π states, respectively, by the simultaneous analysis of the observed progression bands. The CO bond length (rCO = 1.2810 Å) for the A˜ 2Π state, derived from the rotational constant B0 and Franck-Condon factors, is longer by 0.1756 Å than that (1.1054 Å) for the X˜ 2Π state, while the CS bond length for the A˜ 2Π state is shorter by 0.0905 Å than that for the X˜ 2Π state. Pure rotational transition frequencies in the ground X˜ 2Π state are predicted, as well as transition frequencies of the ν1 fundamental band, with the present molecular constants.

  1. Molecular evidence of heavy-oil weathering following the M/V Cosco Busan spill: insights from Fourier transform ion cyclotron resonance mass spectrometry.

    PubMed

    Lemkau, Karin L; McKenna, Amy M; Podgorski, David C; Rodgers, Ryan P; Reddy, Christopher M

    2014-04-01

    Recent studies have highlighted a critical need to investigate oil weathering beyond the analytical window afforded by conventional gas chromatography (GC). In particular, techniques capable of detecting polar and higher molecular weight (HMW; > 400 Da) components abundant in crude and heavy fuel oils (HFOs) as well as transformation products. Here, we used atmospheric pressure photoionization Fourier transform ion cyclotron resonance mass spectrometry (APPI FT-ICR MS) to identify molecular transformations in oil-residue samples from the 2007 M/V Cosco Busan HFO spill (San Francisco, CA). Over 617 days, the abundance and diversity of oxygen-containing compounds increased relative to the parent HFO, likely from bio- and photodegradation. HMW, highly aromatic, alkylated compounds decreased in relative abundance concurrent with increased relative abundance of less alkylated stable aromatic structures. Combining these results with GC-based data yielded a more comprehensive understanding of oil spill weathering. For example, dealkylation trends and the overall loss of HMW species observed by FT-ICR MS has not previously been documented and is counterintuitive given losses of lower molecular weight species observed by GC. These results suggest a region of relative stability at the interface of these techniques, which provides new indicators for studying long-term weathering and identifying sources.

  2. Sample handling and contamination encountered when coupling offline normal phase high performance liquid chromatography fraction collection of petroleum samples to Fourier transform ion cyclotron resonance mass spectrometry.

    PubMed

    Oro, Nicole E; Whittal, Randy M; Lucy, Charles A

    2012-09-05

    Normal phase high performance liquid chromatography (HPLC) is used to separate a gas oil petroleum sample, and the fractions are collected offline and analyzed on a high resolution Fourier Transform Ion Cyclotron Resonance Mass Spectrometer (FT-ICR MS). The separation prior to MS analysis dilutes the sample significantly; therefore the fractions need to be prepared properly to achieve the best signal possible. The methods used to prepare the HPLC fractions for MS analysis are described, with emphasis placed on increasing the concentration of analyte species. The dilution effect also means that contamination in the MS spectra needs to be minimized. The contamination from molecular sieves, plastics, soap, etc. and interferences encountered during the offline fraction collection process are described and eliminated. A previously unreported MS contamination of iron formate clusters with a 0.8 mass defect in positive mode electrospray is also described. This interference resulted from the stainless steel tubing in the HPLC system. Contamination resulting from what has tentatively been assigned as palmitoylglycerol and stearoylglycerol was also observed; these compounds have not previously been reported as contaminant peaks. Copyright © 2012 Elsevier B.V. All rights reserved.

  3. Electron capture dissociation Fourier transform ion cyclotron resonance mass spectrometry of cyclodepsipeptides, branched peptides, and [var epsilon]-peptides

    NASA Astrophysics Data System (ADS)

    Cooper, Helen J.; Hudgins, Robert R.; Marshall, Alan G.

    2004-05-01

    Although electron capture dissociation (ECD) offers many advantages for structural elucidation, a fundamental understanding of all possible processes following electron capture is necessary if ECD is to succeed in the characterization of unknowns. Many biologically active compounds have non-standard structures, e.g, N-alkylation, branching, cyclization, and ester linkages. Here we report ECD of cyclodepsipeptides (valinomycin and beauvericin), including N-methylated structures (beauvericin), branched peptides (AcA3K(G3)A3---NH2 and A3K(G3)A3---NH2), and oligomers of [var epsilon]-amino acids ([var epsilon]-peptides) (Ac(Ahx)6K and (Ahx)6K) to establish the behavior of such non-standard structures. ECD of cyclodepsipeptides yielded numerous backbone fragments but no charge-reduced species, consistent with a radical cascade mechanism. ECD of [var epsilon]-peptides resulted in a[radical sign] and y fragments only, suggesting that the N---C[alpha] c/z[radical sign] fragmentation channel is impeded in those structures. ECD of branched peptides resulted in complex fragmentation patterns, characterized by the presence of the immonium related m ion from the modified residue.

  4. Protein-sequence polymorphisms and post-translational modifications in proteins from human saliva using top-down Fourier-transform ion cyclotron resonance mass spectrometry

    NASA Astrophysics Data System (ADS)

    Whitelegge, Julian P.; Zabrouskov, Vlad; Halgand, Frederic; Souda, Puneet; Bassilian, Sara; Yan, Weihong; Wolinsky, Larry; Loo, Joseph A.; Wong, David T. W.; Faull, Kym F.

    2007-12-01

    Single nucleotide polymorphisms (SNPs) can result in protein-sequence polymorphisms (PSPs) when codon translations are altered. Both top-down and bottom-up proteomics strategies can identify PSPs, but only if databases and software are used with this in mind. A 14,319 Da protein from human saliva was characterized using the top-down approach on a hybrid linear ion-trap Fourier-transform ion cyclotron resonance mass spectrometer equipped for both collisionally activated (CAD) and electron-capture (ECD) dissociation. Sequence tags identified the protein as Cystatin SN, and defined the N-terminal signal peptide cleavage site, as well as two disulfide bonds, in agreement with previous studies. The mass of the intact protein (<5 ppm error) deviated from that calculated from the published gene sequence by 16.031 Da, and, based on CAD and ECD fragment ion assignments, it was concluded that the isoform of the protein analyzed carried a PSP at residue 11 such that the Pro translated from the genome was in fact Leu/Ile. An independently determined SNP (rs2070856) subsequently confirmed the genetic basis of the mass spectral interpretation and defined the residue as Leu. In another example, the PRP3 protein with mass ~10,999 Da was found to be an isomeric/isobaric mixture of the reported sequence with PSPs D4N or D50N (rs1049112). Both CAD and ECD datasets support two phosphorylation sites at residues Ser8 and Ser22, rather than Ser17. In the context of discovery proteomics, previously undefined PSPs and PTMs will only be detected if the logic of data processing strategies considers their presence in an unbiased fashion.

  5. The influence of alkali metal ions in the chemisorption of CO and CO{sub 2} on supported palladium catalysts: A Fourier transform infrared spectroscopic study

    SciTech Connect

    Liotta, L.F.; Deganello, G.; Martin, G.A.

    1996-12-01

    Two series of palladium-based catalysts were compared on the basis of the adsorption of CO and CO{sub 2}, monitored by Fourier transform infrared spectroscopy. The first series is represented by a silica-supported palladium catalyst and by some catalysts derived from it by addition of different amounts of sodium ion 0 {le} R {le} 25.6, where R is the atomic ratio Na/Pd. The second series consists of palladium catalysts supported on {open_quotes}model{close_quotes} and natural pumices. The model pumices, obtained by sol-gel techniques, are silico-aluminates containing variable amounts of sodium so that the corresponding Pd catalysts have an R value in the range 0{le}R{le}6.1. In the Pd/natural pumice catalysts, changes of the atomic ratio R{prime} = (Na + K)/Pd are achieved with different palladium loadings. Despite the analogous behaviour of the catalysts of both series when R=0, the presence of increasing alkali metal ions induces different behaviour towards the adsorption of CO. On increasing R in the Na-Pd/SiO{sub 2} series there is a progressive weakening of the C-O bond to produce eventually carbonates, whereas only a decrease of the amount of adsorbed CO occurs in the Pd/model pumice series (R{le}6.1). Furthermore, only physisorbed CO bands are observed in Pd/natural pumice catalysts (R{prime}{le}17). Different behaviour is also noticed towards the adsorption of CO{sub 2}: the equilibrium CO{sub 2}(gas){r_equilibrium}CO{sub ads}+O{sub ads} occurs in the Pd/SiO{sub 2} series, in contrast to the Pd/pumice series where only carbonate species on the surface of the support are detected. 83 refs., 12 figs., 4 tabs.

  6. Comprehensive analysis of oil sands processed water by direct-infusion Fourier-transform ion cyclotron resonance mass spectrometry with and without offline UHPLC sample prefractionation.

    PubMed

    Nyakas, Adrien; Han, Jun; Peru, Kerry M; Headley, John V; Borchers, Christoph H

    2013-05-07

    Oil sands processed water (OSPW) is the main byproduct of the large-scale bitumen extraction activity in the Athabasca oil sands region (Alberta, Canada). We have investigated the acid-extractable fraction (AEF) of OSPW by extraction-only (EO) direct infusion (DI) negative-ion mode electrospray ionization (ESI) on a 12T-Fourier transform ion cyclotron resonance mass spectrometer (FTICR-MS), as well as by offline ultrahigh performance liquid chromatography (UHPLC) followed by DI-FTICR-MS. A preliminary offline UHPLC separation into 8 fractions using a reversed-phase C4 column led to approximately twice as many detected peaks and identified compounds (973 peaks versus 2231 peaks, of which 856 and 1734 peaks, respectively, could be assigned to chemical formulas based on accurate mass measurements). Conversion of these masses to the Kendrick mass scale allowed the straightforward recognition of homologues. Naphthenic (CnH2n+zO2) and oxy-naphthenic (CnH2n+zOx) acids represented the largest group of molecules with assigned formulas (64%), followed by sulfur-containing compounds (23%) and nitrogen-containing compounds (8%). Pooling of corresponding fractions from two consecutive offline UHPLC runs prior to MS analysis resulted in ~50% more assignments than a single injection, resulting in 3-fold increase of identifications compared to EO-DI-FTICR-MS using the same volume of starting material. Liquid-liquid extraction followed by offline UHPLC fractionation thus holds enormous potential for a more comprehensive profiling of OSPW, which may provide a deeper understanding of its chemical nature and environmental impact.

  7. Microstructure and Ion Exchange in Stearic Acid Langmuir-Blodgett Films Studied by Fourier Transform Infrared-Attenuated Total Reflection Spectroscopy.

    PubMed

    Li, Chun; Zhao, Bing; Lu, Yiqing; Liang, Yingqiu

    2001-03-01

    Fourier transform infrared-attenuated total reflection (FTIR-ATR) spectra have been recorded of 11-layer Langmuir-Blodgett (LB) films of stearic acid deposited at various surface pressures (0.1, 15, and 35 mN/m), and the molecular orientation angles were evaluated quantitatively, which supplied insight into the molecular order with the alkyl chains tightly packed like crystal in the LB films deposited at the zero and higher surface pressures. These experimental results indicate that, in the Langmuir film as the precursor of LB films, stearic acid molecules self-aggregate to form two-dimensional crystalline domains already even at the zero surface pressure, which results in the inhomogeneity of monolayer. The analysis of dependence of nu(C=O) intensity on the surface pressure, surface density, and subphase temperature leads to the conclusion that the defects in LB films originate from the Langmuir film and be conserved upon deposition. Annealing below 50 degrees C and cooling could improve the monolayer homogeneity, and thus a defect-free or low-defect LB films can be deposited. Furthermore, ion exchange conducted in the LB films, on the other hand, confirms the existence of structure defects in LB films of stearic acid. The polar plane microstructure, lateral transport along the polar planes and the coordination types of stearic acid/cation system may be the rate-limiting process. The results have implication on the possible uses of stearic acid LB films as ion-exchange materials or sensors. Copyright 2001 Academic Press.

  8. Characterization of mutant xylanases using fourier transform ion cyclotron resonance mass spectrometry: stabilizing contributions of disulfide bridges and N-terminal extensions.

    PubMed

    Jänis, Janne; Turunen, Ossi; Leisola, Matti; Derrick, Peter J; Rouvinen, Juha; Vainiotalo, Pirjo

    2004-07-27

    Structural properties and thermal stability of Trichoderma reesei endo-1,4-beta-xylanase II (TRX II) and its three recombinant mutants were characterized using electrospray ionization Fourier transform ion cyclotron resonance (ESI FT-ICR) mass spectrometry and hydrogen/deuterium (H/D) exchange reactions. TRX II has been previously stabilized by a disulfide bridge C110-C154 and other site-directed mutations (TRX II mutants DS2 and DS5). Very recently, a highly thermostable mutant was introduced by combining mutations of DS5 with an N-terminal disulfide bridge C2-C28 (mutant DB1). Accurate mass measurements of TRX II, DS2, DS5, and DB1 verified the expected DNA-encoded protein sequences (average mass error 1.3 ppm) and allowed unequivocal assignment of the disulfides without chemical reduction and subsequent alkylation of the expected cross-links. Moreover, H/D exchange reactions provided means for the detection of a major heat-induced conformational change comprising two interconverting conformers of very different H/D exchange rates as well as allowed the apparent melting temperatures (T(m)) to be determined (62.6, 65.1, 68.0, and 82.2 degrees C for TRX II, DS2, DS5, and DB1, respectively). Residual activity measurements verified that the enzymes inactivated at significantly lower temperatures than expected on the basis of the apparent T(m) values, strongly suggesting that the inactivation takes place through minor conformational change other than observed by H/D exchange. ESI FT-ICR analyses also revealed molecular heterogeneity in DS5 and DB1 due to the propeptide incorporation. Resulting unintentional N-terminal extensions were observed to further improve the stability of the DB1 mutant. The extension of six amino acid residues upstream from the protein N-terminus increased stability by approximately 5 degrees C.

  9. Determination of thioxylo-oligosaccharide binding to family 11 xylanases using electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry and X-ray crystallography.

    PubMed

    Jänis, Janne; Hakanpää, Johanna; Hakulinen, Nina; Ibatullin, Farid M; Hoxha, Antuan; Derrick, Peter J; Rouvinen, Juha; Vainiotalo, Pirjo

    2005-05-01

    Noncovalent binding of thioxylo-oligosaccharide inhibitors, methyl 4-thio-alpha-xylobioside (S-Xyl2-Me), methyl 4,4II-dithio-alpha-xylotrioside (S-Xyl3-Me), methyl 4,4II,4III-trithio-alpha-xylotetroside (S-Xyl4-Me), and methyl 4,4II,4III,4IV-tetrathio-alpha-xylopentoside (S-Xyl5-Me), to three family 11 endo-1,4-beta-xylanases from Trichoderma reesei (TRX I and TRX II) and Chaetomium thermophilum (CTX) was characterized using electrospray ionization Fourier transform ion cyclotron resonance (FT-ICR) MS and X-ray crystallography. Ultra-high mass-resolving power and mass accuracy inherent to FT-ICR allowed mass measurements for noncovalent complexes to within |DeltaM|average of 2 p.p.m. The binding constants determined by MS titration experiments were in the range 10(4)-10(3) M-1, decreasing in the series of S-Xyl5-Me>or=S-Xyl4-Me>S-Xyl3-Me. In contrast, S-Xyl2-Me did not bind to any xylanase at the initial concentration of 5-200 microM, indicating increasing affinity with increasing number of xylopyranosyl units, with a minimum requirement of three. The crystal structures of CTX-inhibitor complexes gave interesting insights into the binding. Surprisingly, none of the inhibitors occupied any of the aglycone subsites of the active site. The binding to only the glycone subsites is nonproductive for catalysis, and yet this has also been observed for other family 11 xylanases in complex with beta-d-xylotetraose [Wakarchuk WW, Campbell RL, Sung WL, Davoodi J & Makoto Y (1994) Protein Sci3, 465-475, and Sabini E, Wilson KS, Danielsen S, Schulein M & Davies GJ (2001) Acta CrystallogrD57, 1344-1347]. Therefore, the role of the aglycone subsites remains controversial despite their obvious contribution to catalysis.

  10. 126 264 Assigned Chemical Formulas from an Atmospheric Pressure Photoionization 9.4 T Fourier Transform Positive Ion Cyclotron Resonance Mass Spectrum.

    PubMed

    Krajewski, Logan C; Rodgers, Ryan P; Marshall, Alan G

    2017-10-11

    Here, we present atmospheric pressure photoionization (APPI) Fourier transform ion cyclotron resonance (FTICR) mass analysis of a volcanic asphalt sample by acquiring data for 20 Da wide mass segments across a 1000 Da range, stitched into a single composite mass spectrum, and compare to a broad-band mass spectrum for the same sample. The segmented spectrum contained 170 000 peaks with magnitude greater than 6σ of the root-mean-square (rms) baseline noise, for which 126 264 unique elemental compositions could be assigned. Approximately two-thirds of those compositions represent monoisotopic (i.e., chemically different) species. That complexity is higher than that for any previously reported mass spectrum and almost 3 times greater than that obtained from the corresponding broad-band spectrum (59 015). For the segmented mass spectrum, the signal-to-noise ratio (S/N) was significantly higher throughout the spectrum, but especially at the lower and upper ends of mass distribution relative to that of the near-Gaussian broad-band mass distribution. Despite this S/N improvement, mass measurement accuracy was noticeably improved only at lower masses. The increased S/N did, however, yield a higher number of peaks and higher dynamic range throughout the entire segmented spectrum relative to the conventional broad-band spectrum. The additional assigned peaks include higher heteroatom species, as well as additional radicals and isotopologues. Segmenting can require a significant investment in data acquisition and analysis time over broad-band spectroscopy (∼1775% in this case) making it best suited for targeted analysis and/or when complete compositional coverage is important. Finally, the present segmented spectrum contains, to our knowledge, more assigned peaks than any spectrum of any kind (e.g., UV-vis, infrared, microwave, magnetic resonance, etc.).

  11. Planar limit-assisted structural interpretation of saturates/aromatics/resins/asphaltenes fractionated crude oil compounds observed by Fourier transform ion cyclotron resonance mass spectrometry.

    PubMed

    Cho, Yunju; Kim, Young Hwan; Kim, Sunghwan

    2011-08-01

    Planar limits, defined as lines generated by connecting maximum double-bond equivalence (DBE) values at given carbon numbers, are proposed as a means of predicting and understanding the molecular structure of compounds in crude oil. The slopes and y-intercepts of the lines are determined by the DBE/carbon number ratios of functional groups defining the planar limits. For example, the planar limit generated by a serial addition of saturated cyclic rings has a slope of 0.25. The planar limit formed by the linear and nonlinear addition of benzene rings yields lines with slopes of 0.75 and 1, respectively. The y-intercepts of these lines were determined by additional functional groups added within a series of molecules. Plots of DBE versus carbon number for S(1) class compounds observed by Fourier transform ion cyclotron resonance mass spectrometry (FTICR MS) showed that saturates/aromatics/resins/asphaltenes (SARA) fractions exhibited unique slopes and y-intercepts. The slope of the planar limit observed from a saturates fraction matched well with the slope of a planar limit generated by the serial addition of saturated cyclic rings. The slopes of planar limits of aromatics and resins fractions were very similar to that obtained from the linear addition of benzene rings. Finally, the slope of the asphaltenes fraction was almost identical to the slope obtained from the nonlinear addition of benzene rings. Simulated and experimental data show that SARA fractions exhibit different molecular structure characteristics. On the basis of the slope and y-intercept of the planar limit, the structures of molecules in SARA fractions were predicted and suggested. The use of planar limits for structural interpretation is not limited to crude oil compounds but can also be used to study other organic mixtures such as humic substances or metabolites.

  12. Chemical Composition of Microbe-Derived Dissolved Organic Matter in Cryoconite in Tibetan Plateau Glaciers: Insights from Fourier Transform Ion Cyclotron Resonance Mass Spectrometry Analysis.

    PubMed

    Feng, Lin; Xu, Jianzhong; Kang, Shichang; Li, Xiaofei; Li, Yang; Jiang, Bin; Shi, Quan

    2016-12-20

    Cryoconite in mountain glaciers plays important roles in glacial ablation and biogeochemical cycles. In this study, the composition and sources of dissolved organic matter (DOM) in cryoconite from the ablation regions of two Tibetan Plateau glaciers were determined using electrospray ionization (ESI) Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) and fluorescence spectrometry. A marked absorbance between 300 and 350 nm in the DOM absorption spectra was observed which was consistent with microbe-derived mycosporine-like amino acids. Fluorescence excitation-emission matrices showed that DOM had intense signals at protein-like substance peaks and weak signals at humic-like substance peaks. The high-resolution mass spectra of FT-ICR-MS showed cryoconite DOM from both glaciers contained diverse lignins, lipids, proteins, and unsaturated hydrocarbons. The lipids and proteins were consistent with material from microbial sources, and the lignins and unsaturated hydrocarbons were probably from vascular plant material supplied in atmospheric aerosols and debris from around the glaciers. Almost one-third of the identified DOM molecules had low C/N ratios (≤20), indicating their high bioavailability. Using a conservative cryoconite distribution on Chinese mountain glacier surfaces (6%) and an average debris mass per square meter of cryoconite (292 ± 196 g m(-2)), we found that the amount of DOC produced in cryoconite on Chinese glaciers as much as 0.23 ± 0.1 Gg per cryoconite formation process. This dissolved organic carbon may absorb solar radiation, accelerate glacial melting, and be an important source of bioavailable DOM to proglacial and downstream aquatic ecosystems.

  13. Characterization of low molecular weight dissolved natural organic matter along the treatment trait of a waterworks using Fourier transform ion cyclotron resonance mass spectrometry.

    PubMed

    Zhang, Haifeng; Zhang, Yahe; Shi, Quan; Ren, Shuoyi; Yu, Jianwei; Ji, Feng; Luo, Wenbin; Yang, Min

    2012-10-15

    Dissolved natural organic matter (DOM), particularly the low molecular weight DOM, can affect the performance of water treatment processes and serve as a main precursor of disinfection by-products (DBPs) during chlorination. In this study, electrospray ionization coupled to Fourier transform ion cyclotron resonance mass spectrometry (ESI FT-ICR MS) was used to characterize the low molecular weight DOM along the treatment trait of a conventional drinking water treatment plant. The ESI FT-ICR MS data showed that various C, H, O-only class species were the major components in the source water. According to the van Krevelen diagram analysis, lignin- and tannin-like compounds were the most abundant components. Within an isobaric group, the DOM molecules with a high degree of oxidation (high O/C value) were preferentially removed during coagulation, while those with low degree of oxidation were found to be more reactive toward chlorine. In addition, 357 one-chlorine containing products and 199 two-chlorine containing products formed during chlorination were detected in the chlorination effluent sample at a high confidence level. The chlorinated products can be arranged into series, suggesting that they were originated from C, H, O-only precursor compounds, which were in series related by the replacement of CH(4) against oxygen. For the first time, this study explored the behavior of low molecular weight DOM along a drinking water treatment trait on the molecular level, and revealed the presence of abundant unknown chlorinated products, which are probably rich in carboxylic and phenolic groups, in drinking water. Copyright © 2012 Elsevier Ltd. All rights reserved.

  14. Detection of Biosignatures using Geomatrix-Assisted Laser Desorption/Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry: Implications for the Search for Life in the Solar System

    NASA Astrophysics Data System (ADS)

    Richardson, C. D.; Kotler, J. M.; Hinman, N. W.; Scott, J. R.

    2008-12-01

    Detection of bio/organic signatures, defined as an organic structure produced by living organisms or derived from other biogenic organic compounds, is essential to investigating the origin and distribution of extant or extinct life in the solar system. In conjunction with mineralogical, inorganic, and isotopic data, the detection and identification of bio/organic signatures can assist in linking biochemical and geochemical processes. Geomatrix-assisted laser desorption/ionization (GALDI) in conjunction with a Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) is a proven method of obtaining bio/organic signatures from a range of geological materials. Sulfate salts were studied because they are found on Mars and Jovian satellites. The goal here was to determine (1) which combinations of bio/organic compounds and sulfate salts produced distinctive spectral signatures, and (2) the detection limit of the method. In these experiments, thenardite (Na2SO4) was mixed with stearic acid to determine the detection limit of GALDI-FTICR-MS, previously estimated to be 3 ppt, which corresponds to approximately 7 zeptomoles (10-21) per laser shot. All spectra were collected with little to no sample preparation and were acquired using a single laser shot. Unlike conventional analytical practices, the signal-to-noise ratio increased as the concentration of bio/organic compounds decreased relative to the mineral host. In combination with thenardite, aromatic amino acids were observed to undergo simple cation attachment ([M+Na]+) due to the π-bonded aromatic ring. Subsequent cation substitution of the carboxyl group led to formation of peaks representing double cation attachment ([M-H+Na]Na+). Spectra from naturally occurring thenardite and jarosite (XFe3(OH)6(SO4)2) revealed the presence of high mass cluster ions; analysis of their isotopic distribution suggested the presence of bio/organic compounds. High mass cluster ions, both organic and inorganic, readily

  15. Rapid Profiling of Bovine and Human Milk Gangliosides by Matrix-Assisted Laser Desorption/Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

    PubMed Central

    Lee, Hyeyoung; An, Hyun Joo; Lerno, Larry A.; German, J. Bruce; Lebrilla, Carlito B.

    2010-01-01

    Gangliosides are anionic glycosphingolipids widely distributed in vertebrate tissues and fluids. Their structural and quantitative expression patterns depend on phylogeny and are distinct down to the species level. In milk, gangliosides are exclusively associated with the milk fat globule membrane. They may participate in diverse biological processes but more specifically to host-pathogen interactions. However, due to the molecular complexities, the analysis needs extensive sample preparation, chromatographic separation, and even chemical reaction, which makes the process very complex and time-consuming. Here, we describe a rapid profiling method for bovine and human milk gangliosides employing matrix-assisted desorption/ionization (MALDI) Fourier transform ion cyclotron resonance (FTICR) mass spectrometry (MS). Prior to the analyses of biological samples, milk ganglioside standards GM3 and GD3 fractions were first analyzed in order to validate this method. High mass accuracy and high resolution obtained from MALDI FTICR MS allow for the confident assignment of chain length and degree of unsaturation of the ceramide. For the structural elucidation, tandem mass spectrometry (MS/MS), specifically as collision-induced dissociation (CID) and infrared multiphoton dissociation (IRMPD) were employed. Complex ganglioside mixtures from bovine and human milk were further analyzed with this method. The samples were prepared by two consecutive chloroform/methanol extraction and solid phase extraction. We observed a number of differences between bovine milk and human milk. The common gangliosides in bovine and human milk are NeuAc-NeuAc-Hex-Hex-Cer (GD3) and NeuAc-Hex-Hex-Cer (GM3); whereas, the ion intensities of ganglioside species are different between two milk samples. Kendrick mass defect plot yields grouping of ganglioside peaks according to their structural similarities. Gangliosides were further probed by tandem MS to confirm the compositional and structural assignments

  16. Functional Roles of D2-Lys317 and the Interacting Chloride Ion in the Water Oxidation Reaction of Photosystem II As Revealed by Fourier Transform Infrared Analysis

    PubMed Central

    2013-01-01

    Photosynthetic water oxidation in plants and cyanobacteria is catalyzed by a Mn4CaO5 cluster within the photosystem II (PSII) protein complex. Two Cl– ions bound near the Mn4CaO5 cluster act as indispensable cofactors, but their functional roles remain to be clarified. We have investigated the role of the Cl– ion interacting with D2-K317 (designated Cl-1) by Fourier transform infrared spectroscopy (FTIR) analysis of the D2-K317R mutant of Synechocystis sp. PCC 6803 in combination with Cl–/NO3– replacement. The D2-K317R mutation perturbed the bands in the regions of the COO– stretching and backbone amide vibrations in the FTIR difference spectrum upon the S1 → S2 transition. In addition, this mutation altered the 15N isotope-edited NO3– bands in the spectrum of NO3–-treated PSII. These results provide the first experimental evidence that the Cl-1 site is coupled with the Mn4CaO5 cluster and its interaction is affected by the S1 → S2 transition. It was also shown that a negative band at 1748 cm–1 arising from COOH group(s) was altered to a positive intensity by the D2-K317R mutation as well as by NO3– treatment, suggesting that the Cl-1 site affects the pKa of COOH/COO– group(s) near the Mn4CaO5 cluster in a common hydrogen bond network. Together with the observation that the efficiency of the S3 → S0 transition significantly decreased in the core complexes of D2-K317R upon moderate dehydration, it is suggested that D2-K317 and Cl-1 are involved in a proton transfer pathway from the Mn4CaO5 cluster to the lumen, which functions in the S3 → S0 transition. PMID:23786399

  17. Comparison of particle-in-cell simulations with experimentally observed frequency shifts between ions of the same mass-to-charge in Fourier transform ion cyclotron resonance mass spectrometry.

    PubMed

    Leach, Franklin E; Kharchenko, Andriy; Heeren, Ron M A; Nikolaev, Eugene; Amster, I Jonathan

    2010-02-01

    It has been previously observed that the measured frequency of ions in a Fourier transform mass spectrometry experiment depend upon the number of trapped ions, even for populations consisting exclusively of a single mass-to-charge. Since ions of the same mass-to-charge are thought not to exert a space-charge effect among themselves, the experimental observation of such frequency shifts raises questions about their origin. To determine the source of such experimentally observed frequency shifts, multiparticle ion trajectory simulations have been conducted on monoisotopic populations of Cs(+) ranging from 10(2) ions to 10(6) ions. A close match to experimental behavior is observed. By probing the effect of ion number and orbital radius on the shift in the cyclotron frequency, it is shown that for a monoisotopic population of ions, the frequency shift is caused by the interaction of ions with their image-charge. The addition of ions of a second mass-to-charge to the simulation allows the comparison of the magnitude of the frequency shift resulting from space-charge (ion-ion) effects versus ion interactions with their image charge.

  18. Reactivity and Selectivity of Charged Phenyl Radicals Toward Amino Acids in a Fourier-Transform Ion Cyclotron Resonance (FT-ICR) Mass Spectrometer

    PubMed Central

    Pates, George O.; Guler, Leonard; Nash, John J.; Kenttämaa, Hilkka I.

    2011-01-01

    The reactivity of ten charged phenyl radicals toward several amino acids was examined in the gas phase in a dual-cell Fourier-transform ion cyclotron resonance (FT-ICR) mass spectrometer. All radicals abstract a hydrogen atom from the amino acids, as expected. The most electrophilic radicals (with a greater calculated vertical electron affinity (EA) at the radical site) also react with these amino acids via NH2 abstraction (a nonradical nucleophilic addition-elimination reaction). Both the radical (hydrogen atom abstraction) and nonradical (NH2 abstraction) reaction efficiencies were found to increase with the electrophilicity (EA) of the radical. However, NH2 abstraction is more strongly influenced by EA. In contrast to an earlier report, the ionization energies of the amino acids do not appear to play a general reactivity controlling role. Studies using several partially deuterium-labeled amino acids revealed that abstraction of a hydrogen atom from the α-carbon is only preferred for glycine; for the other amino acids, a hydrogen atom is preferentially abstracted from the side chain. The electrophilicity of the radicals does not appear to have a major influence on the site from which the hydrogen atom is abstracted. Hence, the regioselectivity of hydrogen atom abstraction appears to be independent of the structure of the radical but dependent on the structure of the amino acid. Surprisingly, abstraction of two hydrogen atoms was observed for the 3-nitro-5-dehydrophenyl pyridinium radical, indicating that substituents on the radical not only influence the EA of the radical but also can be involved in the reaction. In disagreement with an earlier report, proline was found to display several unprecedented reaction pathways that likely do not proceed via a radical mechanism but rather by a nucleophilic addition-elimination mechanism. Both NH2 and 15NH2 groups were abstracted from lysine labeled with 15N on the side-chain, indicating that NH2 abstraction occurs both

  19. Simultaneous molecular formula determinations of natural compounds in a plant extract using 15 T Fourier transform ion cyclotron resonance mass spectrometry

    PubMed Central

    2013-01-01

    Background Plant extracts are a reservoir of pharmacologically active substances; however, conventional analytical methods can analyze only a small portion of an extract. Here, we report a high-throughput analytical method capable of determining most phytochemicals in a plant extract and of providing their molecular formulae from a single experiment using ultra-high-resolution electrospray ionization mass spectrometry (UHR ESI MS). UHR mass profiling was used to analyze natural compounds in a 70% ethanol ginseng extract, which was directly infused into a 15 T Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer for less than 10 min without a separation process. Results The UHR FT-ICR MS yielded a mass accuracy of 0.5 ppm and a mass resolving power (m/Δm) of 1,000,000–270,000 for the range m/z 290–1,100. The mass resolution was sufficient to resolve the isotopic fine structure (IFS) of many compounds in the extract. After noise removal from 1,552 peaks, 405 compounds were detected. The molecular formulae of 123 compounds, including 33 ginsenosides, were determined using the observed IFS, exact monoisotopic mass, and exact mass difference. Liquid chromatography (LC)/FT-ICR MS of the extract was performed to compare the high-throughput performance of UHR ESI FT-ICR MS. The LC/FT-ICR MS detected only 129 compounds, including 19 ginsenosides. The result showed that UHR ESI FT-ICR MS identified three times more compounds than LC/FT-ICR MS and in a relatively shorter time. The molecular formula determination by UHR FT-ICR MS was validated by LC and tandem MS analyses of three known ginsenosides. Conclusions UHR mass profiling of a plant extract by 15 T FT-ICR MS showed that multiple compounds were simultaneously detected and their molecular formulae were decisively determined by a single experiment with ultra-high mass resolution and mass accuracy. Simultaneous molecular determination of multiple natural products by UHR ESI FT-ICR MS would be a

  20. Simultaneous molecular formula determinations of natural compounds in a plant extract using 15 T Fourier transform ion cyclotron resonance mass spectrometry.

    PubMed

    Park, Kyu Hwan; Kim, Min Sun; Baek, Sun Jong; Bae, Ik Hyun; Seo, Sang-Wan; Kim, Jongjin; Shin, Yong Kook; Lee, Yong-Moon; Kim, Hyun Sik

    2013-01-01

    Plant extracts are a reservoir of pharmacologically active substances; however, conventional analytical methods can analyze only a small portion of an extract. Here, we report a high-throughput analytical method capable of determining most phytochemicals in a plant extract and of providing their molecular formulae from a single experiment using ultra-high-resolution electrospray ionization mass spectrometry (UHR ESI MS). UHR mass profiling was used to analyze natural compounds in a 70% ethanol ginseng extract, which was directly infused into a 15 T Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer for less than 10 min without a separation process. The UHR FT-ICR MS yielded a mass accuracy of 0.5 ppm and a mass resolving power (m/Δm) of 1,000,000-270,000 for the range m/z 290-1,100. The mass resolution was sufficient to resolve the isotopic fine structure (IFS) of many compounds in the extract. After noise removal from 1,552 peaks, 405 compounds were detected. The molecular formulae of 123 compounds, including 33 ginsenosides, were determined using the observed IFS, exact monoisotopic mass, and exact mass difference. Liquid chromatography (LC)/FT-ICR MS of the extract was performed to compare the high-throughput performance of UHR ESI FT-ICR MS. The LC/FT-ICR MS detected only 129 compounds, including 19 ginsenosides. The result showed that UHR ESI FT-ICR MS identified three times more compounds than LC/FT-ICR MS and in a relatively shorter time. The molecular formula determination by UHR FT-ICR MS was validated by LC and tandem MS analyses of three known ginsenosides. UHR mass profiling of a plant extract by 15 T FT-ICR MS showed that multiple compounds were simultaneously detected and their molecular formulae were decisively determined by a single experiment with ultra-high mass resolution and mass accuracy. Simultaneous molecular determination of multiple natural products by UHR ESI FT-ICR MS would be a powerful method to profile a wide

  1. Fourier Transform Methods. Chapter 4

    NASA Technical Reports Server (NTRS)

    Kaplan, Simon G.; Quijada, Manuel A.

    2015-01-01

    This chapter describes the use of Fourier transform spectrometers (FTS) for accurate spectrophotometry over a wide spectral range. After a brief exposition of the basic concepts of FTS operation, we discuss instrument designs and their advantages and disadvantages relative to dispersive spectrometers. We then examine how common sources of error in spectrophotometry manifest themselves when using an FTS and ways to reduce the magnitude of these errors. Examples are given of applications to both basic and derived spectrophotometric quantities. Finally, we give recommendations for choosing the right instrument for a specific application, and how to ensure the accuracy of the measurement results..

  2. Synthetic Fourier transform light scattering.

    PubMed

    Lee, Kyeoreh; Kim, Hyeon-Don; Kim, Kyoohyun; Kim, Youngchan; Hillman, Timothy R; Min, Bumki; Park, Yongkeun

    2013-09-23

    We present synthetic Fourier transform light scattering, a method for measuring extended angle-resolved light scattering (ARLS) from individual microscopic samples. By measuring the light fields scattered from the sample plane and numerically synthesizing them in Fourier space, the angle range of the ARLS patterns is extended up to twice the numerical aperture of the imaging system with unprecedented sensitivity and precision. Extended ARLS patterns of individual microscopic polystyrene beads, healthy human red blood cells (RBCs), and Plasmodium falciparum-parasitized RBCs are presented.

  3. Fourier Transform Methods. Chapter 4

    NASA Technical Reports Server (NTRS)

    Kaplan, Simon G.; Quijada, Manuel A.

    2015-01-01

    This chapter describes the use of Fourier transform spectrometers (FTS) for accurate spectrophotometry over a wide spectral range. After a brief exposition of the basic concepts of FTS operation, we discuss instrument designs and their advantages and disadvantages relative to dispersive spectrometers. We then examine how common sources of error in spectrophotometry manifest themselves when using an FTS and ways to reduce the magnitude of these errors. Examples are given of applications to both basic and derived spectrophotometric quantities. Finally, we give recommendations for choosing the right instrument for a specific application, and how to ensure the accuracy of the measurement results..

  4. Fourier-transform optical microsystems

    NASA Technical Reports Server (NTRS)

    Collins, S. D.; Smith, R. L.; Gonzalez, C.; Stewart, K. P.; Hagopian, J. G.; Sirota, J. M.

    1999-01-01

    The design, fabrication, and initial characterization of a miniature single-pass Fourier-transform spectrometer (FTS) that has an optical bench that measures 1 cm x 5 cm x 10 cm is presented. The FTS is predicated on the classic Michelson interferometer design with a moving mirror. Precision translation of the mirror is accomplished by microfabrication of dovetailed bearing surfaces along single-crystal planes in silicon. Although it is miniaturized, the FTS maintains a relatively high spectral resolution, 0.1 cm-1, with adequate optical throughput.

  5. Cryogenic ion chemistry and spectroscopy.

    PubMed

    Wolk, Arron B; Leavitt, Christopher M; Garand, Etienne; Johnson, Mark A

    2014-01-21

    The use of mass spectrometry in macromolecular analysis is an incredibly important technique and has allowed efficient identification of secondary and tertiary protein structures. Over 20 years ago, Chemistry Nobelist John Fenn and co-workers revolutionized mass spectrometry by developing ways to non-destructively extract large molecules directly from solution into the gas phase. This advance, in turn, enabled rapid sequencing of biopolymers through tandem mass spectrometry at the heart of the burgeoning field of proteomics. In this Account, we discuss how cryogenic cooling, mass selection, and reactive processing together provide a powerful way to characterize ion structures as well as rationally synthesize labile reaction intermediates. This is accomplished by first cooling the ions close to 10 K and condensing onto them weakly bound, chemically inert small molecules or rare gas atoms. This assembly can then be used as a medium in which to quench reactive encounters by rapid evaporation of the adducts, as well as provide a universal means for acquiring highly resolved vibrational action spectra of the embedded species by photoinduced mass loss. Moreover, the spectroscopic measurements can be obtained with readily available, broadly tunable pulsed infrared lasers because absorption of a single photon is sufficient to induce evaporation. We discuss the implementation of these methods with a new type of hybrid photofragmentation mass spectrometer involving two stages of mass selection with two laser excitation regions interfaced to the cryogenic ion source. We illustrate several capabilities of the cryogenic ion spectrometer by presenting recent applications to peptides, a biomimetic catalyst, a large antibiotic molecule (vancomycin), and reaction intermediates pertinent to the chemistry of the ionosphere. First, we demonstrate how site-specific isotopic substitution can be used to identify bands due to local functional groups in a protonated tripeptide designed to

  6. Experimental Evidence for Space-Charge Effects between Ions of the Same Mass-to-Charge in Fourier-Transform Ion Cyclotron Resonance Mass Spectrometry

    PubMed Central

    Wong, Richard L.; Amster, I. Jonathan

    2009-01-01

    It is often stated that ions of the same mass-to-charge do not induce space-charge frequency shifts among themselves in an ion cyclotron resonance mass spectrometry measurement. Here, we demonstrate space-charge induced frequency shifts for ions of a single mass-to-charge. The monoisotopic atomic ion, Cs+, was used for this study. The measured frequency is observed to decrease linearly with an increase in the number of ions, as has been reported previously for space-charge effects between ions of different mass-to-charge. The frequency shift between ions of the same m/z value are compared to that induced between ions of different m/z value, and is found to be 7.5 times smaller. Control experiments were performed to ensure that the observed space-charge effects are not artifacts of the measurement or of experimental design. The results can be rationalized by recognizing that the electric forces between ions in a magnetic field conform to the weak form of the Newton's third law, where the action and reaction forces do not cancel exactly. PMID:19562102

  7. New analytical technique for establishing the quality of Soil Organic Matter affected by a wildfire. A first approach using Fourier transform ion cyclotron resonance mass spectrometry

    NASA Astrophysics Data System (ADS)

    Jiménez-Morillo, Nicasio T.; González-Pérez, José A.; Waggoner, Derek C.; Almendros, Gonzalo; González-Vila, Francisco J.; Hatcher, Patrick G.

    2016-04-01

    Introduction: Fire is one of the most important modulator factors of the environment and the forest. It is able to induce chemical and biological shifts and these, in turn, can alter the physical properties of soil. Generally, fire affects the most reactive fraction, soil organic matter (SOM) (González-Pérez et al., 2004) resulting in changes to several soil properties and functions. To study changes in SOM following a wildfire, researchers can count on several traditional as well as new analytical techniques. One of the most recently employed techniques is Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS). This new powerful ultra-high resolution mass spectral technique, together with graphic interpretation tools such as van Krevelen diagrams (Kim et al, 2003), may be used to shed light on alterations caused by the burning of SOM. The objective of this research is to study fire impacts on SOM, using a sandy soil collected under a Cork oak (Quercus suber) in Doñana National Park, Southwest Spain. that was affected by a wildfire in August 2012. Methods: The impact of fire on SOM was studied in various different sieve fractions (coarse, 1-2 mm, and fine, <0.05 mm) collected in a burned area and an adjacent unburned control site with the same physiographic conditions. Alkaline extracts of SOM from each soil sample were examined using a Bruker Daltonics 12 Tesla Apex Qe FT-ICR-MS equipped with an Apollo II ESI ion source (operating in negative ion mode). The ESI voltages were optimized for each sample, and all spectra were internally calibrated following the procedure of (Sleighter and Hatcher, 2007), after which, peaks were assigned unique molecular formulas using a MatLab script written in house by Dr. Wassim Obeid of Old Dominion University. Results: The van Krevelen diagrams together with the relative intensity of each chemical compound, both obtained by FT-ICR-MS, allowed us to assess SOM quality for each sample and size fractions. The

  8. Applications of Fourier Transform Ion Cyclotron Resonance (FT-ICR) and Orbitrap Based High Resolution Mass Spectrometry in Metabolomics and Lipidomics

    PubMed Central

    Ghaste, Manoj; Mistrik, Robert; Shulaev, Vladimir

    2016-01-01

    Metabolomics, along with other “omics” approaches, is rapidly becoming one of the major approaches aimed at understanding the organization and dynamics of metabolic networks. Mass spectrometry is often a technique of choice for metabolomics studies due to its high sensitivity, reproducibility and wide dynamic range. High resolution mass spectrometry (HRMS) is a widely practiced technique in analytical and bioanalytical sciences. It offers exceptionally high resolution and the highest degree of structural confirmation. Many metabolomics studies have been conducted using HRMS over the past decade. In this review, we will explore the latest developments in Fourier transform mass spectrometry (FTMS) and Orbitrap based metabolomics technology, its advantages and drawbacks for using in metabolomics and lipidomics studies, and development of novel approaches for processing HRMS data. PMID:27231903

  9. IDENTIFICATION OF MICROCYSTIN TOXINS FROM A STRAIN OF MICROCYSTIS AERUGINOSA BY LIQUID CHROMATOGRAPHY INTRODUCTION INTO A HYBRID LINEAR ION TRAP-FOURIER TRANSFORM ION CYCLOTRON RESONANCE MASS SPECTROMETER

    EPA Science Inventory

    The cyclic heptapeptide microcystin toxins produced by a strain of Microcystis aeruginosa that has not been investigated previously were separated by liquid chromatography and identified by high-accuracy m/z measurements of their [M + H]+ ions and the fragment i...

  10. IDENTIFICATION OF MICROCYSTIN TOXINS FROM A STRAIN OF MICROCYSTIS AERUGINOSA BY LIQUID CHROMATOGRAPHY INTRODUCTION INTO A HYBRID LINEAR ION TRAP-FOURIER TRANSFORM ION CYCLOTRON RESONANCE MASS SPECTROMETER

    EPA Science Inventory

    The cyclic heptapeptide microcystin toxins produced by a strain of Microcystis aeruginosa that has not been investigated previously were separated by liquid chromatography and identified by high-accuracy m/z measurements of their [M + H]+ ions and the fragment i...

  11. I. Effects of Perturbations on Ion Motion in Fourier Transform Ion Cyclotron Resonance Mass Spectrometry. I. First Principles Investigation of Hyperfine Properties in Zinc Chalcogenides and Spinels.

    NASA Astrophysics Data System (ADS)

    Mitchell, Dale Wesley

    I. Many FT-ICR systems are approximately described by the so-called quadrupole approximation; the dynamics of a single ion in a constant magnetic field and a quadratic electrostatic potential. The quadrupole approximation is considered the unperturbed problem while all other forces are treated as perturbations to this motion. Averaging methods are employed to study the effects of electrostatic and excitation field inhomogeneities on ion motion in a cubic ICR cell. A theory of ion motion based on averaging methods in a cubic ICR cell is presented for differential sinusoidal excitation that explains the observed stability, orders of magnitude and resonance positions for excitation frequencies away from the cyclotron frequency. FT-ICR double resonance experiments are used to test the theoretical predictions. For excitation frequencies near the cyclotron frequency, a previously unknown and simple expression is derived for the phase synchronization process in ICR which relates how the cyclotron radius and phase depend on the initial conditions. Finally, Lie transform perturbation theory and averaging methods are used to derive frequency shifts and mode amplitudes to all three fundamental ICR modes for the true electrostatic cubic cell potential. These analytical results give good agreement with numerical results. II. All electron Hartree-Fock cluster calculations are carried out to derive electron densities, electric field gradients and electronic structures in zinc chalcogenides, zinc fluoride and oxide spinels in order to theoretically interpret the available hyperfine interactions data. The theoretical densities at the zinc nucleus are combined with experimental isomer shifts to estimate a value for the mean square nuclear charge radius for the Mossbauer transition in ^{67}Zn of Delta< r^2 > = {+(13.9} +/- 1.4)times10 ^{-3} fm^2. For ZnO (wurtzite) and ZnF_2, the electric field gradient tensors are calculated at all nuclei and compared with the available data

  12. Conformation transition in silk protein films monitored by time-resolved Fourier transform infrared spectroscopy: effect of potassium ions on Nephila spidroin films.

    PubMed

    Chen, Xin; Knight, David P; Shao, Zhengzhong; Vollrath, Fritz

    2002-12-17

    We used time-resolved Fourier transform infrared spectroscopy (FTIR) to follow a conformation transition in Nephila spidroin film from random coil and/or helical structures to beta-sheet induced by the addition of KCl from 0.01 to 1.0 mol/L in D(2)O. Time series difference spectra showed parallel increases in absorption at 1620 and 1691 cm(-)(1), indicating formation of beta-sheet, together with a coincident loss of intensity of approximately 1650 cm(-)(1), indicating decrease of random coil and/or helical structures. Increase in KCl concentration produced an increased rate of the conformation transition that may attributable to weakening of hydrogen bonds within spidroin macromolecules. The conformation transition was a biphasic process with [KCl] > or = 0.3 mol/L but monophasic with [KCl] < or = 0.1 mol/L. This suggests that, at high KCl concentrations, segments of the molecular chain are adjusted first and then the whole molecule undergoes rearrangement. We discuss the possible significance of these findings to an understanding of the way that spiders spin silk.

  13. Identification of glucosinolates in capers by LC-ESI-hybrid linear ion trap with Fourier transform ion cyclotron resonance mass spectrometry (LC-ESI-LTQ-FTICR MS) and infrared multiphoton dissociation.

    PubMed

    Bianco, Giuliana; Lelario, Filomena; Battista, Fabio Giuseppe; Bufo, Sabino A; Cataldi, Tommaso R I

    2012-09-01

    An liquid chromatography-mass spectrometry method using electrospray ionization in negative ion mode coupled with a hybrid quadrupole linear ion trap and Fourier transform ion cyclotron resonance (FTICR) mass spectrometer was applied to characterize of intact glucosinolates (GLSs) in crude sample extracts of wild bud flowers of Capparis spinosa (Capparis species, family Capparaceae). Structural information of GLSs was obtained upon precursor ions' isolation within the FTICR trapping cell and subsequent fragmentation induced by infrared multiphoton dissociation (IRMPD). Such a fragmentation was found very useful in terms of chemical identification of all precursor ions [M-H](-) including sulfur-rich GLSs reported here for the first time. Along with most common GLSs already found in capers such as glucocapparin, isopropyl/n-propyl-GLS, mercapto-glucocapparin, and two indolic GLS, i.e., 4-hydroxyglucobrassicin and glucobrassicin, the occurrence of the uncommon glycinyl-glucocapparin as well as two sulfur-rich GLSs is reported. IRMPD showed an increased selectivity towards disulfide bond cleavages with thiol migration, suggesting the side chain structure of non-targeted compounds, i.e., disulfanyl-glucocapparin and trisulfanyl-glucocapparin. Glucocapparin [2.05 ± 0.25 mg/g, dry weight (dw)] was the most abundant GLS, followed by glucobrassicin (232 ± 18 µg/g, dw) and 4-hydroxyglucobrassicin (89 ± 12 µg/g, dw). All other compounds were present at very low content ranging from 0.5 to 1.5 µg/g dw. Copyright © 2012 John Wiley & Sons, Ltd.

  14. Apparatus and methods for continuous beam fourier transform mass spectrometry

    DOEpatents

    McLuckey, Scott A.; Goeringer, Douglas E.

    2002-01-01

    A continuous beam Fourier transform mass spectrometer in which a sample of ions to be analyzed is trapped in a trapping field, and the ions in the range of the mass-to-charge ratios to be analyzed are excited at their characteristic frequencies of motion by a continuous excitation signal. The excited ions in resonant motions generate real or image currents continuously which can be detected and processed to provide a mass spectrum.

  15. The Fourier Transform on Quantum Euclidean Space

    NASA Astrophysics Data System (ADS)

    Coulembier, Kevin

    2011-05-01

    We study Fourier theory on quantum Euclidean space. A modified version of the general definition of the Fourier transform on a quantum space is used and its inverse is constructed. The Fourier transforms can be defined by their Bochner's relations and a new type of q-Hankel transforms using the first and second q-Bessel functions. The behavior of the Fourier transforms with respect to partial derivatives and multiplication with variables is studied. The Fourier transform acts between the two representation spaces for the harmonic oscillator on quantum Euclidean space. By using this property it is possible to define a Fourier transform on the entire Hilbert space of the harmonic oscillator, which is its own inverse and satisfies the Parseval theorem.

  16. Evaluation of a Novel Approach for Peptide Sequencing: Laser-induced Acoustic Desorption Combined with P(OCH3)2+ Chemical Ionization and Collision-activated Dissociation in a Fourier Transform Ion Cyclotron Resonance Mass Spectrometer

    PubMed Central

    Somuramasami, Jayalakshmi; Kenttämaa, Hilkka I.

    2007-01-01

    A novel mass spectrometric method has been developed for obtaining sequence information on small peptides. The peptides are desorbed as intact neutral molecules into a Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR) by means of laser-induced acoustic desorption (LIAD). Reactions of the neutral peptides with the dimethoxyphosphenium ion, P(OCH3)2+, occur predominantly by addition of the peptide to P(OCH3)2+ followed by the loss of two methanol molecules, thus yielding product ions with the composition (peptide + P − 2H)+. Upon sustained off-resonance irradiation for collision-activated dissociation (SORI-CAD), the (peptide + P − 2H)+ ions undergo successive losses of CO and NH = CHR or H2O, CO, and NH = CHR to yield sequence-related fragment ions in addition to the regular an- and bn-type ions. Under the same conditions, SORI-CAD of the analogous protonated peptides predominantly yields the regular an- and bn-type ions. The mechanisms of the reactions of peptides with P(OCH3)2+ and the dissociation of the (peptide + P − 2H)+ ions were examined by using model peptides and molecular orbital calculations. PMID:17157527

  17. Evaluation of a novel approach for peptide sequencing: laser-induced acoustic desorption combined with P(OCH(3))(2)(+) chemical ionization and collision-activated dissociation in a Fourier transform ion cyclotron resonance mass spectrometer.

    PubMed

    Somuramasami, Jayalakshmi; Kenttämaa, Hilkka I

    2007-03-01

    A novel mass spectrometric method has been developed for obtaining sequence information on small peptides. The peptides are desorbed as intact neutral molecules into a Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR) by means of laser-induced acoustic desorption (LIAD). Reactions of the neutral peptides with the dimethoxyphosphenium ion, P(OCH(3))(2)(+), occur predominantly by addition of the peptide to P(OCH(3))(2)(+) followed by the loss of two methanol molecules, thus yielding product ions with the composition (peptide + P - 2H)(+). Upon sustained off-resonance irradiation for collision-activated dissociation (SORI-CAD), the (peptide + P - 2H)(+) ions undergo successive losses of CO and NHCHR or H(2)O, CO, and NHCHR to yield sequence-related fragment ions in addition to the regular a(n)- and b(n)-type ions. Under the same conditions, SORI-CAD of the analogous protonated peptides predominantly yields the regular a(n)- and b(n)-type ions. The mechanisms of the reactions of peptides with P(OCH(3))(2)(+) and the dissociation of the (peptide + P - 2H)(+) ions were examined by using model peptides and molecular orbital calculations.

  18. Dual Comb Fourier Transform Spectroscopy

    NASA Astrophysics Data System (ADS)

    Hänsch, T. W.; Picqué, N.

    2010-06-01

    The advent of laser frequency combs a decade ago has already revolutionized optical frequency metrology and precision spectroscopy. Extensions of laser combs from the THz region to the extreme ultraviolet and soft x-ray frequencies are now under exploration. Such laser combs have become enabling tools for a growing tree of applications, from optical atomic clocks to attosecond science. Recently, the millions of precisely controlled laser comb lines that can be produced with a train of ultrashort laser pulses have been harnessed for highly multiplexed molecular spectroscopy. Fourier multi-heterodyne spectroscopy, dual comb spectroscopy, or asynchronous optical sampling spectroscopy with frequency combs are emerging as powerful new spectroscopic tools. Even the first proof-of-principle experiments have demonstrated a very exciting potential for ultra-rapid and ultra-sensitive recording of complex molecular spectra. Compared to conventional Fourier transform spectroscopy, recording times could be shortened from seconds to microseconds, with intriguing prospects for spectroscopy of short lived transient species. Longer recording times allow high resolution spectroscopy of molecules with extreme precision, since the absolute frequency of each laser comb line can be known with the accuracy of an atomic clock. The spectral structure of sharp lines of a laser comb can be very useful even in the recording of broadband spectra without sharp features, as they are e.g. encountered for molecular gases or in the liquid phase. A second frequency comb of different line spacing permits the generation of a comb of radio frequency beat notes, which effectively map the optical spectrum into the radio frequency regime, so that it can be recorded with a single fast photodetector, followed by digital signal analysis. In the time domain, a pulse train of a mode-locked femtosecond laser excites some molecular medium at regular time intervals. A second pulse train of different repetition

  19. The Geostationary Fourier Transform Spectrometer

    NASA Astrophysics Data System (ADS)

    Key, Richard; Sander, Stanley; Eldering, Annmarie; Blavier, Jean-Francois; Bekker, Dmitriy; Manatt, Kenneth; Rider, David; Wu, Yen-Hung (James)

    2012-09-01

    The Geostationary Fourier Transform Spectrometer (GeoFTS) is an imaging spectrometer designed for a geostationary orbit (GEO) earth science mission to measure key atmospheric trace gases and process tracers related to climate change and human activity. GEO allows GeoFTS to continuously stare at a region of the earth for frequent sampling to capture the variability of biogenic fluxes and anthropogenic emissions from city to continental spatial scales and temporal scales from diurnal, synoptic, seasonal to interannual. The measurement strategy provides a process based understanding of the carbon cycle from contiguous maps of carbon dioxide (CO2), methane (CH4), carbon monoxide (CO), and chlorophyll fluorescence (CF) collected many times per day at high spatial resolution (~2.7km×2.7km at nadir). The CO2/CH4/CO/CF measurement suite in the near infrared spectral region provides the information needed to disentangle natural and anthropogenic contributions to atmospheric carbon concentrations and to minimize uncertainties in the flow of carbon between the atmosphere and surface. The half meter cube size GeoFTS instrument is based on a Michelson interferometer design that uses all high TRL components in a modular configuration to reduce complexity and cost. It is self-contained and as independent of the spacecraft as possible with simple spacecraft interfaces, making it ideal to be a "hosted" payload on a commercial communications satellite mission. The hosted payload approach for measuring the major carbon-containing gases in the atmosphere from the geostationary vantage point will affordably advance the scientific understating of carbon cycle processes and climate change.

  20. The Geostationary Fourier Transform Spectrometer

    NASA Technical Reports Server (NTRS)

    Key, Richard; Sander, Stanley; Eldering, Annmarie; Blavier, Jean-Francois; Bekker, Dmitriy; Manatt, Ken; Rider, David; Wu, Yen-Hung

    2012-01-01

    The Geostationary Fourier Transform Spectrometer (GeoFTS) is an imaging spectrometer designed for a geostationary orbit (GEO) earth science mission to measure key atmospheric trace gases and process tracers related to climate change and human activity. GEO allows GeoFTS to continuously stare at a region of the earth for frequent sampling to capture the variability of biogenic fluxes and anthropogenic emissions from city to continental spatial scales and temporal scales from diurnal, synoptic, seasonal to interannual. The measurement strategy provides a process based understanding of the carbon cycle from contiguous maps of carbon dioxide (CO2), methane (CH4), carbon monoxide (CO), and chlorophyll fluorescence (CF) collected many times per day at high spatial resolution (2.7kmx2.7km at nadir). The CO2/CH4/CO/CF measurement suite in the near infrared spectral region provides the information needed to disentangle natural and anthropogenic contributions to atmospheric carbon concentrations and to minimize uncertainties in the flow of carbon between the atmosphere and surface. The half meter cube size GeoFTS instrument is based on a Michelson interferometer design that uses all high TRL components in a modular configuration to reduce complexity and cost. It is self-contained and as independent of the spacecraft as possible with simple spacecraft interfaces, making it ideal to be a "hosted" payload on a commercial communications satellite mission. The hosted payload approach for measuring the major carbon-containing gases in the atmosphere from the geostationary vantage point will affordably advance the scientific understating of carbon cycle processes and climate change.

  1. The Geostationary Fourier Transform Spectrometer

    NASA Technical Reports Server (NTRS)

    Key, Richard; Sander, Stanley; Eldering, Annmarie; Miller, Charles; Frankenberg, Christian; Natra, Vijay; Rider, David; Blavier, Jean-Francois; Bekker, Dmitriy; Wu, Yen-Hung

    2012-01-01

    The Geostationary Fourier Transform Spectrometer (GeoFTS) is an imaging spectrometer designed for an earth science mission to measure key atmospheric trace gases and process tracers related to climate change and human activity. The GeoFTS instrument is a half meter cube size instrument designed to operate in geostationary orbit as a secondary "hosted" payload on a commercial geostationary satellite mission. The advantage of GEO is the ability to continuously stare at a region of the earth, enabling frequent sampling to capture the diurnal variability of biogenic fluxes and anthropogenic emissions from city to continental scales. The science goal is to obtain a process-based understanding of the carbon cycle from simultaneous high spatial resolution measurements of carbon dioxide (CO2), methane (CH4), carbon monoxide (CO), and chlorophyll fluorescence (CF) many times per day in the near infrared spectral region to capture their spatial and temporal variations on diurnal, synoptic, seasonal and interannual time scales. The GeoFTS instrument is based on a Michelson interferometer design with a number of advanced features incorporated. Two of the most important advanced features are the focal plane arrays and the optical path difference mechanism. A breadboard GeoFTS instrument has demonstrated functionality for simultaneous measurements in the visible and IR in the laboratory and subsequently in the field at the California Laboratory for Atmospheric Remote Sensing (CLARS) observatory on Mt. Wilson overlooking the Los Angeles basin. A GeoFTS engineering model instrument is being developed which will make simultaneous visible and IR measurements under space flight like environmental conditions (thermal-vacuum at 180 K). This will demonstrate critical instrument capabilities such as optical alignment stability, interferometer modulation efficiency, and high throughput FPA signal processing. This will reduce flight instrument development risk and show that the Geo

  2. A Short-Segment Fourier Transform Methodology

    DTIC Science & Technology

    2009-03-01

    defined sampling of the continuous-valued discrete-time Fourier transform, superresolution in the frequency domain and allowance of Dirac delta functions associated with pure sinusoidal input data components.

  3. Imaging Fourier Transform Spectroscopy from a Space Based Platform -- The Herschel/SPIRE Fourier Transform Spectrometer

    NASA Astrophysics Data System (ADS)

    Spencer, Locke Dean

    The Herschel Space Observatory (Herschel), a flagship mission of the European Space Agency (ESA), is comprised of three cryogenically cooled instruments commissioned to explore the far-infrared/submillimetre universe. Herschel's remote orbit at the second Lagrangian point (L2) of the Sun-Earth system, and its cryogenic payload, impose a need for thorough instrument characterization and rigorous testing as there will be no possibility for any servicing after launch. The Spectral and Photometric Imaging Receiver (SPIRE) is one of the instrument payloads aboard Herschel and consists of a three band imaging photometer and a two band imaging spectrometer. The imaging spectrometer on SPIRE consists of a Mach-Zehnder (MZ)-Fourier transform spectrometer (FTS) coupled with bolometric detector arrays to form an imaging FTS (IFTS). This thesis presents experiments conducted to verify the performance of an IFTS system from a space based platform, Le. the use of the SPIRE IFTS within the Herschel space observatory. Prior to launch, the SPIRE instrument has undergone a series of performance verification tests conducted at the Rutherford Appleton Laboratory (RAL) near Oxford, UK. Canada is involved in the SPIRE project through provision of instrument development hardware and software, mission flight software, and support personnel. Through this thesis project I have been stationed at RAL for a period spanning fifteen months to participate in the development, performance verification, and characterization of both the SPIRE FTS and photometer instruments. This thesis discusses Fourier transform spectroscopy and related FTS data processing (Chapter 2). Detailed discussions are included on the spectral phase related to the FTS beamsplitter (Chapter 3), the imaging aspects of the SPIRE IFTS instrument (Chapter 4), and the noise characteristics of the SPIRE bolometer detector arrays as measured using the SPIRE IFTS (Chapter 5). This thesis presents results from experiments performed

  4. Cryogenic surface-electrode ion trap apparatus

    NASA Astrophysics Data System (ADS)

    Dubielzig, Timko; Carsjens, Martina; Kohnen, Matthias; Grondkowski, Sebastian; Ospelkaus, Christian

    2014-05-01

    In this talk we describe the infrastructure necessary to operate a surface-electrode ion trap with integrated microwave conductors for near-field quantum control of 9Be+ in a cryogenic environment. These traps are promising systems for analog quantum simulators and for quantum logic applications. Our group recently developed a trap with an integrated meander-like microwave guide for driving motional sidebands on an 9Be+ ion. The trap will be operated in a cryogenic vacuum chamber. We will discuss the vibrational isolated closed cycle cryostat and the design of the vacuum chamber with all electrical supplies necessary to apply two different microwave currents, dc voltages and three independent rf supplies to generate a reconfigurable rf trapping potential. We will also discuss the used hyperfine qubit and the laser systems required to cool and repump. Furthermore we will present the cryogenic, high aperture and fully acromatic imaging system.

  5. Distinguishing of Ile/Leu amino acid residues in the PP3 protein by (hot) electron capture dissociation in Fourier transform ion cyclotron resonance mass spectrometry.

    PubMed

    Kjeldsen, Frank; Haselmann, Kim F; Sørensen, Esben S; Zubarev, Roman A

    2003-03-15

    In hot electron capture dissociation (HECD), multiply protonated polypeptides fragment upon capturing approximately 11-eV electrons. The excess of energy upon the primary c, z* cleavage induces secondary fragmentation in z* fragments. The resultant w ions allow one to distinguish between the isomeric Ile and Leu residues. The analytical utility of HECD is evaluated using tryptic peptides from the bovine milk protein PP3 containing totally 135 amino acid residues. Using a formal procedure for Ile/Leu (Xle) residue assignment, the identities of 20 out of 25 Xle residues (80%) were determined. The identity of an additional two residues could be correctly guessed from the absence of the alternative w ions, and only two residues, for which neither expected nor alternative w ions were observed, remained unassigned. Reinspection of conventional ECD spectra also revealed the presence of Xle w ions, although at lower abundances, with 44% of all Xle residues distinguished. Using a dispenser cathode as an electron source, identification of four out of five Xle residues in a 2.7-kDa peptide was possible with one acquisition 2 s long, with identification of all five residues by averaging of five such acquisitions. Unlike the case of high-energy collision-induced dissociation, no d ions were observed in the HECD of tryptic peptides.

  6. On a cryogenic noble gas ion catcher

    NASA Astrophysics Data System (ADS)

    Dendooven, P.; Purushothaman, S.; Gloos, K.

    2006-03-01

    In situ purification of the gas used as stopping medium in a noble gas ion catcher by operating the device at low temperatures of 60-150 K was investigated. Alpha-decay recoil ions from a 223Ra source served as energetic probes. The combined ion survival and transport efficiencies for 219Rn ions saturated below about 90 K, reaching 28.7(17)% in helium, 22.1(13)% in neon, and 17.0(10)% in argon. These values may well reflect the charge exchange and stripping cross-sections during the slowing down of the ions, and thus represent a fundamental upper limit for the efficiency of noble gas ion catcher devices. We suggest the cryogenic noble gas ion catcher as a technically simpler alternative to the ultra-high purity noble gas ion catcher operating at room temperature.

  7. Analysis of S-adenosylmethionine and related sulfur metabolites in bacterial isolates of Pseudomonas aeruginosa (BAA-47) by liquid chromatography/electrospray ionization coupled to a hybrid linear quadrupole ion trap and Fourier transform ion cyclotron resonance mass spectrometry.

    PubMed

    Cataldi, Tommaso R I; Bianco, Giuliana; Abate, Salvatore; Mattia, Daniela

    2009-11-01

    A comprehensive and highly selective method for detecting in bacterial supernatants a modified sulfur nucleoside, S-adenosyl-L-methionine (SAM), and its metabolites, i.e., S-adenosylhomocysteine (SAH), adenosine (Ado), 5'-deoxy-5'-methylthioadenosine (MTA), adenine (Ade), S-adenosyl-methioninamine (dcSAM), homocysteine (Hcy) and methionine (Met), was developed. The method is based on reversed-phase liquid chromatography with positive electrospray ionization (ESI+) coupled to a hybrid linear quadrupole ion trap (LTQ) and 7-T Fourier transform ion cyclotron resonance mass spectrometry (FTICRMS). A gradient elution was employed with a binary solvent of 0.05 M ammonium formate at pH 4 and acetonitrile. The assay involves a simultaneous cleanup of cell-free bacterial broths by solid-phase extraction and trace enrichment of metabolites with a 50-fold concentration factor by using immobilized phenylboronic and anion-exchange cartridges. While the quantitative determination of SAM was performed using stable-isotope-labeled SAM-d3 as an internal standard, in the case of Met and Ade, Met-13C and Ade-15N2 were employed as isotope-labeled internal standards, respectively. This method enabled the identification of SAM and its metabolites in cell-free culture of Pseudomonas aeruginosa grown in Davis minimal broth (formulation without sulphur organic compounds), with routine sub-ppm mass accuracies (-0.27 +/- 0.68 ppm). The resulting contents of S(C)S(S)-SAM, S(S)-dcSAM, MTA, Ado and Met in the free-cell supernatant of P. aeruginosa was 56.4 +/- 2.1 nM, 32.2 +/- 2.2 nM, 0.91 +/- 0.10 nM, 19.6 +/- 1.2 nM and 1.93 +/- 0.02 microM (mean +/- SD, n = 4 extractions), respectively. We report also the baseline separation (Rs > or = 1.5) of both diastereoisomeric forms of SAM (S(C)S(S) and S(C)R(S)) and dcSAM (S(S) and R(S)), which can be very useful to establish the relationship between the biologically active versus the inactive species, S(C)S(S)/S(C)R(S) and S(S)/R(S) of SAM and dc

  8. Experimental Investigations of the Internal Energy of Molecules Evaporated via Laser-induced Acoustic Desorption into a Fourier-transform Ion Cyclotron Resonance Mass Spectrometer (LIAD/FT-ICR)

    PubMed Central

    Shea, Ryan C.; Petzold, Christopher J.; Liu, Ji-ang; Kenttämaa, Hilkka I.

    2008-01-01

    The internal energy of neutral gas-phase organic and biomolecules, evaporated by means of laser-induced acoustic desorption (LIAD) into a Fourier-transform ion cyclotron resonance mass spectrometer (FT-ICR), was investigated through several experimental approaches. The desorbed molecules were demonstrated not to undergo degradation during the desorption process by collecting LIAD-evaporated molecules and subjecting them to analysis by electrospray ionization/quadrupole ion trap mass spectrometry. Previously established gas-phase basicity (GB) values were remeasured for LIAD-evaporated organic molecules and biomolecules with the use of the bracketing method. No endothermic reactions were observed. The remeasured basicity values are in close agreement with the values reported in the literature. The amount of internal energy deposited during LIAD is concluded to be less than a few kcal/mol. Chemical ionization with a series of proton transfer reagents was employed to obtain a breakdown curve for a protonated dipeptide, val-pro, evaporated by LIAD. Comparison of this breakdown curve with a previously published analogous curve obtained by using substrate-assisted laser desorption (SALD) to evaporate the peptide suggests that the molecules evaporated via LIAD have less internal energy than those evaporated via SALD. PMID:17263513

  9. Fast Fourier Transform algorithm design and tradeoffs

    NASA Technical Reports Server (NTRS)

    Kamin, Ray A., III; Adams, George B., III

    1988-01-01

    The Fast Fourier Transform (FFT) is a mainstay of certain numerical techniques for solving fluid dynamics problems. The Connection Machine CM-2 is the target for an investigation into the design of multidimensional Single Instruction Stream/Multiple Data (SIMD) parallel FFT algorithms for high performance. Critical algorithm design issues are discussed, necessary machine performance measurements are identified and made, and the performance of the developed FFT programs are measured. Fast Fourier Transform programs are compared to the currently best Cray-2 FFT program.

  10. Quantum arithmetic with the quantum Fourier transform

    NASA Astrophysics Data System (ADS)

    Ruiz-Perez, Lidia; Garcia-Escartin, Juan Carlos

    2017-06-01

    The quantum Fourier transform offers an interesting way to perform arithmetic operations on a quantum computer. We review existing quantum Fourier transform adders and multipliers and comment some simple variations that extend their capabilities. These modified circuits can perform modular and non-modular arithmetic operations and work with signed integers. Among the operations, we discuss a quantum method to compute the weighted average of a series of inputs in the transform domain. One of the circuits, the controlled weighted sum, can be interpreted as a circuit to compute the inner product of two data vectors.

  11. Evaluation of combined matrix-assisted laser desorption/ionization time-of-flight and matrix-assisted laser desorption/ionization Fourier transform ion cyclotron resonance mass spectrometry experiments for peptide mass fingerprinting analysis.

    PubMed

    da Silva, David; Wasselin, Thierry; Carré, Vincent; Chaimbault, Patrick; Bezdetnaya, Lina; Maunit, Benoît; Muller, Jean-François

    2011-07-15

    Peptide Mass Fingerprinting (PMF) is still of significant interest in proteomics because it allows a large number of complex samples to be rapidly screened and characterized. The main part of post-translational modifications is generally preserved. In some specific cases, PMF suffers from ambiguous or unsuccessful identification. In order to improve its reliability, a combined approach using matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOFMS) and matrix-assisted laser desorption/ionization Fourier transform ion cyclotron resonance mass spectrometry (MALDI-FTICRMS) was evaluated. The study was carried out on bovine serum albumin (BSA) digest. The influence of several important parameters (the matrix, the sample preparation method, the amount of the analyte) on the MOWSE score and the protein sequence coverage were evaluated to allow the identification of specific effects. A careful investigation of the sequence coverage obtained by each kind of experiment ensured the detection of specific peptides for each experimental condition. Results highlighted that DHB-FTICRMS and DHB- or CHCA-TOFMS are the most suited combinations of experimental conditions to achieve PMF analysis. The association (convolution) of the data obtained by each of these techniques ensured a significant increase in the MOWSE score and the protein sequence coverage.

  12. Enumeration of non-labile oxygen atoms in dissolved organic matter by use of ¹⁶O/ ¹⁸O exchange and Fourier transform ion-cyclotron resonance mass spectrometry.

    PubMed

    Kostyukevich, Yury; Kononikhin, Alexey; Zherebker, Alexander; Popov, Igor; Perminova, Irina; Nikolaev, Eugene

    2014-10-01

    We report a simple approach for enumeration of non-labile oxygen atoms in individual molecules of dissolved organic matter (DOM), using acid-catalyzed (16)O/(18)O exchange and ultrahigh-resolution Fourier-transform ion-cyclotron-resonance mass spectrometry (FTICR-MS). We found that by dissolving DOM in H2 (18)O at 95 °C for 20 days it is possible to replace all oxygen atoms of DOM molecules (excluding oxygen from ether groups) with (18)O. The number of exchanges in each molecule can be determined using high-resolution FTICR. Using the proposed method we identified the number of non-labile oxygen atoms in 231 molecules composing DOM. Also, using a previously developed hydrogen-deuterium (H/D)-exchange approach we identified the number of labile hydrogen atoms in 450 individual molecular formulas. In addition, we observed that several backbone hydrogen atoms can be exchanged for deuterium under acidic conditions. The method can be used for structural and chemical characterization of individual DOM molecules, comparing different DOM samples, and investigation of biological pathways of DOM in the environment.

  13. Surface characterization of three marine bacterial strains by Fourier transform IR, X-ray photoelectron spectroscopy, and time-of-flight secondary-ion mass spectrometry, correlation with adhesion on stainless steel surfaces.

    PubMed

    Pradier, C M; Rubio, C; Poleunis, C; Bertrand, P; Marcus, P; Compère, C

    2005-05-19

    Adhesion of bacterial strains on solid substrates is likely related to the properties of the outer shell of the micro-organisms. Aiming at a better understanding and control of the biofilm formation in seawater, the surface chemical composition of three marine bacterial strains was investigated by combining Fourier transform IR spectroscopy, X-ray photoelectron spectroscopy (XPS), and time-of-flight secondary-ion mass spectrometry (ToF-SIMS). The D41 strain surface showed evidence of proteins, as deduced from the NH2 and NCO XPS and ToF-SIMS fingerprints; this strain was found to adhere to stainless steel, glass, or Teflon surfaces in a much higher quantity (2 orders of magnitude) than the two other ones, DA and D01. The latter are either enriched in COOH or sulfates, and this makes them more hydrophilic and less adherent to all substrates. Correlations with physicochemical properties and adhesion seem to demonstrate the role of the external layer composition, in particular the role of proteins more than that of hydrophobicity, on their adhesion abilities.

  14. Increasing Polyaromatic Hydrocarbon (PAH) Molecular Coverage during Fossil Oil Analysis by Combining Gas Chromatography and Atmospheric-Pressure Laser Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FT-ICR MS).

    PubMed

    Benigni, Paolo; DeBord, J Daniel; Thompson, Christopher J; Gardinali, Piero; Fernandez-Lima, Francisco

    2016-01-21

    Thousands of chemically distinct compounds are encountered in fossil oil samples that require rapid screening and accurate identification. In the present paper, we show for the first time, the advantages of gas chromatography (GC) separation in combination with atmospheric-pressure laser ionization (APLI) and ultrahigh-resolution Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) for the screening of polyaromatic hydrocarbons (PAHs) in fossil oils. In particular, reference standards of organics in shale oil, petroleum crude oil, and heavy sweet crude oil were characterized by GC-APLI-FT-ICR MS and APLI-FT-ICR MS. Results showed that, while APLI increases the ionization efficiency of PAHs, when compared to other ionization sources, the complexity of the fossil oils reduces the probability of ionizing lower-concentration compounds during direct infusion. When gas chromatography precedes APLI-FT-ICR MS, an increase (more than 2-fold) in the ionization efficiency and an increase in the signal-to-noise ratio of lower-concentration fractions are observed, giving better molecular coverage in the m/z 100-450 range. That is, the use of GC prior to APLI-FT-ICR MS resulted in higher molecular coverage, higher sensitivity, and the ability to separate and characterize molecular isomers, while maintaining the ultrahigh resolution and mass accuracy of the FT-ICR MS separation.

  15. Screening of key antioxidant compounds of longan (Dimocarpus longan Lour.) seed extract by combining online fishing/knockout, activity evaluation, Fourier transform ion cyclotron resonance mass spectrometry, and high-performance liquid chromatography electrospray ionization mass spectrometry methods.

    PubMed

    Chen, Jinyu; Ge, Zhen-Zhen; Zhu, Wei; Xu, Ze; Li, Chun-Mei

    2014-10-08

    To figure out the key phenolic compounds accounting for the antioxidant effects of longan (Dimocarpus longan Lour.) seed extract, online fishing/knockout method, activity evaluation assays, Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS), and high-performance liquid chromatography electrospray ionization mass spectrometry (HPLC-ESI-MS) analysis were used jointly for the first time. p-Coumaric acid-glycoside, (S)-flavogallonic acid, ellagic acid derivative, and methyl-ellagic acid glucopyranoside were first identified in longan seeds. In addition, our study revealed that ellagic acid as well as its derivative and p-coumaric acid-glycoside had important contribution to the potent antioxidant activity of longan seed extract, while gallic acid, corilagin, (S)-flavogallonic acid, methyl-ellagic acid glucopyranoside, and ethyl gallate showed very little contribution to the total antioxidant activity of longan seed extract. The combining use of the online fishing/knockout method, activity evaluation assays, FT-ICR-MS, and HPLC-ESI-MS analysis is a useful and simple strategy for screening of key bioactive compounds from complex extracts.

  16. Two- and three-dimensional van krevelen diagrams: a graphical analysis complementary to the kendrick mass plot for sorting elemental compositions of complex organic mixtures based on ultrahigh-resolution broadband fourier transform ion cyclotron resonance mass measurements.

    PubMed

    Wu, Zhigang; Rodgers, Ryan P; Marshall, Alan G

    2004-05-01

    Ultrahigh-resolution electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry has resolved and identified the elemental compositions of over 10000 organic constituents of coal and petroleum crude oil. A plot of Kendrick mass defect versus Kendrick nominal mass sorts compounds into homologous series according to compound class (i.e., numbers of N, O, and S heteroatoms), type (number of rings plus double bonds), and degree of alkylation (number of CH(2) groups), to yield unique elemental assignments from ultrahigh-resolution mass measurements in the 200-900 Da range. Interpretation of such a vast compilation requires a simple (preferably graphical) means to differentiate between complex organic mixtures of different origin or processing. In an extension of the recently revived van Krevelen plot, each elemental composition is projected onto two or three axes according to its H/C, O/C, and/or N/C atomic ratios. The H/C ratio separates compounds according to degree of saturation, whereas O/C or N/C ratios separate according to O and N classes. We show that the three-dimensional van Krevelen diagram can completely separate different classes in pyridine-extracted coal or petroleum samples and can also graphically distinguish fossil fuels according to their nature (coal vs petroleum), maturation (coals of different rank), and processing (the same coal at two stages of liquefaction). The van Krevelen diagram thus appears well suited to amplifying and exposing compositional differences within and between complex organic mixtures.

  17. Molecular Characterization and Reactivity of Dissolved Organic Matter by High Resolution Nanospray Ionization Fourier Transform-Ion Cyclotron Resonance Mass Spectrometry (FTICR-MS)

    NASA Astrophysics Data System (ADS)

    Sleighter, R. L.; Hatcher, S. A.; Hatcher, P. G.

    2006-12-01

    The ultrahigh resolving power of FTICR-MS allows for the intense characterization of dissolved organic matter (DOM). DOM is the largest reactive component of the global carbon cycle, and an improved understanding of its composition is necessary to determine the transport and eventual fate of pollutants. The seasonal and spatial variations in DOM composition are investigated by taking surface water samples from five different sampling sites, four times a year. Water sampling begins at the Dismal Swamp in North Carolina, continues north up the Elizabeth River to the Chesapeake Bay, and concludes approximately ten miles off the coast in the Atlantic Ocean. DOM was extracted from the water samples using C18 extraction disks and were prepared in 50:50 methanol:water. Ammonium hydroxide was added prior to nanospray in order to solubilize the DOM as well as to increase the ionization efficiency. The samples were continuously infused into the Apollo II ion source with an Advion TriVersa NanoMate system of a Bruker 12 Tesla Apex QE FTICR-MS with resolving powers exceeding 400,000. All samples were analyzed in negative ion mode and were externally and internally calibrated prior to data analysis. Our DOM mass spectra consist of a multitude of peaks spanning the range of 200-850 m/z. Complexity is apparent from the detection of up to 20 peaks per nominal mass at nearly every mass throughout that range. A molecular formula calculator generated molecular formula matches from which van Krevelen plots were constructed for characterization purposes. A wide range of molecules were observed each containing oxygen, sulfur and nitrogen functional groups. We utilize the van Krevelen diagram to assist in clustering the molecules according to their functional group compositions. To test the hypothesis that formation of adducts to DOM serve to protect peptides from bacterial degradation, microcosm experiments were performed with a small isotopically enriched peptide, GGGR. This peptide

  18. Identification of water-soluble heavy crude oil organic-acids, bases, and neutrals by electrospray ionization and field desorption ionization fourier transform ion cyclotron resonance mass spectrometry.

    PubMed

    Stanford, Lateefah A; Kim, Sunghwan; Klein, Geoffrey C; Smith, Donald F; Rodgers, Ryan P; Marshall, Alan G

    2007-04-15

    We identify water-soluble (23 degrees C) crude oil NSO nonvolatile acidic, basic, and neutral crude oil hydrocarbons by negative-ion ESI and continuous flow FD FT-ICR MS at an average mass resolving power, m/deltam50% = 550,000. Of the 7000+ singly charged acidic species identified in South American crude oil, surprisingly, many are water-soluble, and much more so in pure water than in seawater. The truncated m/z distributions for water-soluble components exhibit preferential molecular weight, size, and heteroatom class influences on hydrocarbon solubility. Acidic water-soluble heteroatomic classes detected at >1% relative abundance include O, O2, O3, O4, OS, O2S, O3S, O4S, NO2, NO3, and NO4. Parent oil class abundance does not directly relate to abundance in the water-soluble fraction. Acidic oxygen-containing classes are most prevalent in the water-solubles, whereas acidic nitrogen-containing species are least soluble. In contrast to acidic nitrogen-containing heteroatomic classes, basic nitrogen classes are water-soluble. Water-soluble heteroatomic basic classes detected at >1% relative abundance include N, NO, NO2, NS, NS2, NOS, NO2S, N2, N2O, N2O2, OS, O2S, and O2S2.

  19. Dephosphorylation of intact glycoprotein to greatly improve digestion efficiency coupled with matrix-assisted laser desorption/ionization-Fourier transform ion cyclotron resonance mass spectrometric analysis.

    PubMed

    Li, Fenjie; Wang, Xiaodong; Liu, Yujie; Liu, Hui; Li, Zhili

    2013-07-17

    Sialylation is essential for a variety of cellular functions. Herein, we used bovine fetuin with three potential N-linked glycosylation sites containing complex-type glycan structures, four potential O-linked glycosylation sites and six potential phosphorylation sites as a model compound to develop a highly-efficient digestion strategy for sialylated glycoproteins and efficient enrichment strategy for sialylated glycopeptides using titanium dioxide. The former according to the process of alkaline phosphatase digestion followed by tryptic digestion and then proteinase K digestion could greatly improve the enzymatic efficiency on fetuin, and the latter could obviously enhance the enrichment efficiency for multisialylated glycopeptides using phosphoric acid solution as elution buffer. The mass spectra of the enriched glycopeptides derived from fetuin reveal that several series of the ion clusters with mass difference of 291 Da correspond to the presence of multisialylated glycopeptides. In addition, the approach was applied to characterize the sialylated status of α2-macroglobulin and transferrin, respectively, from the sera of healthy subjects and sex- and age-matched patients with thyroid cancer, and their spectra indicate that the change in the amount of the glycoforms containing different number of sialic acid (SA) residues from one glycosylation site may be used to differentiate between healthy subjects and cancer cases.

  20. Metabolomic profiling of prostate cancer by matrix assisted laser desorption/ionization-Fourier transform ion cyclotron resonance mass spectrometry imaging using Matrix Coating Assisted by an Electric Field (MCAEF).

    PubMed

    Wang, Xiaodong; Han, Jun; Hardie, Darryl B; Yang, Juncong; Pan, Jingxi; Borchers, Christoph H

    2017-07-01

    In this work, we combined the use of two MALDI matrices (quercetin and 9-aminoacridine), a recently developed new matrix coating technique - matrix coating assisted by an electric field (MCAEF), and matrix-assisted laser desorption/ionization - Fourier transform ion cyclotron resonance mass spectrometry (MALDI-FTICRMS) to detect and image endogenous compounds in the cancerous and non-cancerous regions of three human prostate cancer (stage II) tissue specimens. After three rounds of imaging data acquisitions (i.e., quercetin for positive and negative ion detection and 9-aminoacridine for negative ion detection), and metabolite identification, a total of 1091 metabolites including 1032 lipids and 59 other metabolites were routinely detected and successfully localized. Of these compounds, 250 and 217 were only detected in either the cancerous or the non-cancerous regions respectively, although we cannot rule out the presence of these metabolites at concentrations below the detection limit. In addition, 152 of the other 624 metabolites showed differential distributions (p<0.05, t-test) between the two regions of the tissues. Further studies on a larger number of clinical specimens will need to be carried out to confirm this large number of apparently cancer-related metabolites. The successful determination of the spatial locations and abundances of these endogenous biomolecules indicated significant metabolism abnormalities - e.g., increased energy charge and under-expression of neutral acyl glycerides, in the prostate cancer samples. To our knowledge, this work has resulted in MALDI-MS imaging of the largest group of metabolites in prostate cancer thus far and demonstrated the importance of using complementary matrices for comprehensive metabolomic imaging by MALDI-MS. This article is part of a Special Issue entitled: MALDI Imaging, edited by Dr. Corinna Henkel and Prof. Peter Hoffmann. Copyright © 2017 Elsevier B.V. All rights reserved.

  1. Clifford Fourier transform on vector fields.

    PubMed

    Ebling, Julia; Scheuermann, Gerik

    2005-01-01

    Image processing and computer vision have robust methods for feature extraction and the computation of derivatives of scalar fields. Furthermore, interpolation and the effects of applying a filter can be analyzed in detail and can be advantages when applying these methods to vector fields to obtain a solid theoretical basis for feature extraction. We recently introduced the Clifford convolution, which is an extension of the classical convolution on scalar fields and provides a unified notation for the convolution of scalar and vector fields. It has attractive geometric properties that allow pattern matching on vector fields. In image processing, the convolution and the Fourier transform operators are closely related by the convolution theorem and, in this paper, we extend the Fourier transform to include general elements of Clifford Algebra, called multivectors, including scalars and vectors. The resulting convolution and derivative theorems are extensions of those for convolution and the Fourier transform on scalar fields. The Clifford Fourier transform allows a frequency analysis of vector fields and the behavior of vector-valued filters. In frequency space, vectors are transformed into general multivectors of the Clifford Algebra. Many basic vector-valued patterns, such as source, sink, saddle points, and potential vortices, can be described by a few multivectors in frequency space.

  2. Fourier transform infrared spectrometery: an undergraduate experiment

    NASA Astrophysics Data System (ADS)

    Lerner, L.

    2016-11-01

    Simple apparatus is developed, providing undergraduate students with a solid understanding of Fourier transform (FT) infrared (IR) spectroscopy in a hands on experiment. Apart from its application to measuring the mid-IR spectra of organic molecules, the experiment introduces several techniques with wide applicability in physics, including interferometry, the FT, digital data analysis, and control theory.

  3. Linear and nonlinear generalized Fourier transforms.

    PubMed

    Pelloni, Beatrice

    2006-12-15

    This article presents an overview of a transform method for solving linear and integrable nonlinear partial differential equations. This new transform method, proposed by Fokas, yields a generalization and unification of various fundamental mathematical techniques and, in particular, it yields an extension of the Fourier transform method.

  4. Geometric Representations for Discrete Fourier Transforms

    NASA Technical Reports Server (NTRS)

    Cambell, C. W.

    1986-01-01

    Simple geometric representations show symmetry and periodicity of discrete Fourier transforms (DFT's). Help in visualizing requirements for storing and manipulating transform value in computations. Representations useful in any number of dimensions, but particularly in one-, two-, and three-dimensional cases often encountered in practice.

  5. Microholography by Numerical Wavefront Reconstruction in the Fourier Transform Geometry.

    NASA Astrophysics Data System (ADS)

    Haddad, Waleed Sami

    New techniques for pulsed holographic microimaging with x-rays and visible light based on the Fourier transform geometry are presented. A charge-coupled device (CCD) is used to record the holographic information. Images are reconstructed numerically by fast Fourier transform (FFT) and by a novel "stigmatic" aberration-free technique. It is shown by numerical simulation that reconstruction by FFT inherently suffers from coma. An innovative design for a Fourier transform x -ray holographic microscope incorporating a metallic microsphere as the reference wave producing element is presented. The design is optimized for use with an x-ray laser source operating in the range lambda~eq43 A; nickel is found to be the best material for the reference sphere in this range. A visible light analog of the x-ray microscope was built and tested yielding an image of Ascaris larva. Two unique visible light Fourier transform holographic microscopes are also presented. The first incorporates a glycerol microdrop reference lens. This microscope was operated at N.A. ~ 0.25 with an argon ion laser at lambda = 514.5 nm. The transverse point spread function of the system was measured to be 1.40 mum, near the theoretical diffraction limit of 1.29 mu m. The second is a design based on a Mach-Zehnder interferometer. This Fourier Mach Zehnder holographic microscope (FMZHM) offers great flexibility and many advantages. The FMZHM was operated at N.A. _sp{~ }{>} 0.25 with lambda = 514.5 nm and yielded many 2-D and 3-D images of biological samples. A study of potential biological applications of visible and x-ray holographic microscopy is also presented.

  6. Quantitative Analysis of Long Chain Fatty Acids Present in a Type I Kerogen Using Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry: Compared with BF3/MeOH Methylation/GC-FID

    NASA Astrophysics Data System (ADS)

    Kamga, Albert W.; Behar, Fancoise; Hatcher, Patrick G.

    2014-05-01

    Long chain fatty acids (LCFAs) are present in various natural samples and are easily detectable using electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI-FT-ICR-MS) in negative ion mode. The capability of the ESI-FT-ICR-MS for quantifying LCFAs was evaluated by performing a standard addition followed by an internal standard methodology to several kerogen extracts using n-C20 fatty acid as standard. As the concentration of the standard increased, the magnitude of its peak ( m/z 311.29525) increased linearly but with two separate slopes, leaving the entire mass spectra relatively unchanged, which shows evidence of reproducibility. Response factors of other LCFAs are obtained using a standard addition approach. We employed five LCFA standards ( n-C15, n-C19, n-C24, n-C26, and n-C30) with different carbon numbers. This allowed us to determine the response factor of all fatty acids (with carbon number between 15 and 30) by plotting the slope of each standard versus its carbon number. With the observed response factors and use of the internal standard, the concentrations of LCFAs in four kerogen extracts were measured by ESI-FT-ICR-MS and compared with those from GC-FID. The carbon number distribution obtained by ESI-FT-ICR-MS matched well the GC-FID distribution (5%-50%) with the exception of C16 and C18, considering that ESI-FT-ICR-MS does not differentiate between normal and branched LCFAs, whereas GC-FID does. This allows one to quantitatively compare samples with a relatively similar matrix for specific compounds such as LCFAs with no need of time-consuming derivatization procedures. Moreover, the calibration can be extended to higher carbon numbers with ESI-FT-ICR-MS, beyond the capabilities of GC/MS.

  7. Quantitative analysis of long chain fatty acids present in a Type I kerogen using electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry: compared with BF₃/MeOH methylation/GC-FID.

    PubMed

    Kamga, Albert W; Behar, Fancoise; Hatcher, Patrick G

    2014-05-01

    Long chain fatty acids (LCFAs) are present in various natural samples and are easily detectable using electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI-FT-ICR-MS) in negative ion mode. The capability of the ESI-FT-ICR-MS for quantifying LCFAs was evaluated by performing a standard addition followed by an internal standard methodology to several kerogen extracts using n-C₂₀ fatty acid as standard. As the concentration of the standard increased, the magnitude of its peak (m/z 311.29525) increased linearly but with two separate slopes, leaving the entire mass spectra relatively unchanged, which shows evidence of reproducibility. Response factors of other LCFAs are obtained using a standard addition approach. We employed five LCFA standards (n-C₁₅, n-C₁₉, n-C₂₄, n-C₂₆, and n-C₃₀) with different carbon numbers. This allowed us to determine the response factor of all fatty acids (with carbon number between 15 and 30) by plotting the slope of each standard versus its carbon number. With the observed response factors and use of the internal standard, the concentrations of LCFAs in four kerogen extracts were measured by ESI-FT-ICR-MS and compared with those from GC-FID. The carbon number distribution obtained by ESI-FT-ICR-MS matched well the GC-FID distribution (5%–50%) with the exception of C₁₆ and C₁₈, considering that ESI-FT-ICR-MS does not differentiate between normal and branched LCFAs, whereas GC-FID does. This allows one to quantitatively compare samples with a relatively similar matrix for specific compounds such as LCFAs with no need of time-consuming derivatization procedures. Moreover, the calibration can be extended to higher carbon numbers with ESI-FT-ICR-MS, beyond the capabilities of GC/MS.

  8. Implementation of quantum and classical discrete fractional Fourier transforms.

    PubMed

    Weimann, Steffen; Perez-Leija, Armando; Lebugle, Maxime; Keil, Robert; Tichy, Malte; Gräfe, Markus; Heilmann, René; Nolte, Stefan; Moya-Cessa, Hector; Weihs, Gregor; Christodoulides, Demetrios N; Szameit, Alexander

    2016-03-23

    Fourier transforms, integer and fractional, are ubiquitous mathematical tools in basic and applied science. Certainly, since the ordinary Fourier transform is merely a particular case of a continuous set of fractional Fourier domains, every property and application of the ordinary Fourier transform becomes a special case of the fractional Fourier transform. Despite the great practical importance of the discrete Fourier transform, implementation of fractional orders of the corresponding discrete operation has been elusive. Here we report classical and quantum optical realizations of the discrete fractional Fourier transform. In the context of classical optics, we implement discrete fractional Fourier transforms of exemplary wave functions and experimentally demonstrate the shift theorem. Moreover, we apply this approach in the quantum realm to Fourier transform separable and path-entangled biphoton wave functions. The proposed approach is versatile and could find applications in various fields where Fourier transforms are essential tools.

  9. Implementation of quantum and classical discrete fractional Fourier transforms

    PubMed Central

    Weimann, Steffen; Perez-Leija, Armando; Lebugle, Maxime; Keil, Robert; Tichy, Malte; Gräfe, Markus; Heilmann, René; Nolte, Stefan; Moya-Cessa, Hector; Weihs, Gregor; Christodoulides, Demetrios N.; Szameit, Alexander

    2016-01-01

    Fourier transforms, integer and fractional, are ubiquitous mathematical tools in basic and applied science. Certainly, since the ordinary Fourier transform is merely a particular case of a continuous set of fractional Fourier domains, every property and application of the ordinary Fourier transform becomes a special case of the fractional Fourier transform. Despite the great practical importance of the discrete Fourier transform, implementation of fractional orders of the corresponding discrete operation has been elusive. Here we report classical and quantum optical realizations of the discrete fractional Fourier transform. In the context of classical optics, we implement discrete fractional Fourier transforms of exemplary wave functions and experimentally demonstrate the shift theorem. Moreover, we apply this approach in the quantum realm to Fourier transform separable and path-entangled biphoton wave functions. The proposed approach is versatile and could find applications in various fields where Fourier transforms are essential tools. PMID:27006089

  10. Cryogenic setup for trapped ion quantum computing

    NASA Astrophysics Data System (ADS)

    Brandl, M. F.; van Mourik, M. W.; Postler, L.; Nolf, A.; Lakhmanskiy, K.; Paiva, R. R.; Möller, S.; Daniilidis, N.; Häffner, H.; Kaushal, V.; Ruster, T.; Warschburger, C.; Kaufmann, H.; Poschinger, U. G.; Schmidt-Kaler, F.; Schindler, P.; Monz, T.; Blatt, R.

    2016-11-01

    We report on the design of a cryogenic setup for trapped ion quantum computing containing a segmented surface electrode trap. The heat shield of our cryostat is designed to attenuate alternating magnetic field noise, resulting in 120 dB reduction of 50 Hz noise along the magnetic field axis. We combine this efficient magnetic shielding with high optical access required for single ion addressing as well as for efficient state detection by placing two lenses each with numerical aperture 0.23 inside the inner heat shield. The cryostat design incorporates vibration isolation to avoid decoherence of optical qubits due to the motion of the cryostat. We measure vibrations of the cryostat of less than ±20 nm over 2 s. In addition to the cryogenic apparatus, we describe the setup required for an operation with 40Ca+ and 88Sr+ ions. The instability of the laser manipulating the optical qubits in 40Ca+ is characterized by yielding a minimum of its Allan deviation of 2.4 ṡ 10-15 at 0.33 s. To evaluate the performance of the apparatus, we trapped 40Ca+ ions, obtaining a heating rate of 2.14(16) phonons/s and a Gaussian decay of the Ramsey contrast with a 1/e-time of 18.2(8) ms.

  11. Cryogenic setup for trapped ion quantum computing.

    PubMed

    Brandl, M F; van Mourik, M W; Postler, L; Nolf, A; Lakhmanskiy, K; Paiva, R R; Möller, S; Daniilidis, N; Häffner, H; Kaushal, V; Ruster, T; Warschburger, C; Kaufmann, H; Poschinger, U G; Schmidt-Kaler, F; Schindler, P; Monz, T; Blatt, R

    2016-11-01

    We report on the design of a cryogenic setup for trapped ion quantum computing containing a segmented surface electrode trap. The heat shield of our cryostat is designed to attenuate alternating magnetic field noise, resulting in 120 dB reduction of 50 Hz noise along the magnetic field axis. We combine this efficient magnetic shielding with high optical access required for single ion addressing as well as for efficient state detection by placing two lenses each with numerical aperture 0.23 inside the inner heat shield. The cryostat design incorporates vibration isolation to avoid decoherence of optical qubits due to the motion of the cryostat. We measure vibrations of the cryostat of less than ±20 nm over 2 s. In addition to the cryogenic apparatus, we describe the setup required for an operation with (40)Ca(+) and (88)Sr(+) ions. The instability of the laser manipulating the optical qubits in (40)Ca(+) is characterized by yielding a minimum of its Allan deviation of 2.4 ⋅ 10(-15) at 0.33 s. To evaluate the performance of the apparatus, we trapped (40)Ca(+) ions, obtaining a heating rate of 2.14(16) phonons/s and a Gaussian decay of the Ramsey contrast with a 1/e-time of 18.2(8) ms.

  12. Differentiating ``hard'' from ``soft'' woods using Fourier transform infrared and Fourier transform spectroscopy

    NASA Astrophysics Data System (ADS)

    Evans, P. A.

    The Fourier transform Raman and Fourier transform infrared spectra of six soft- and six hardwoods are presented in this paper. In contrast to conventional Raman spectroscope using visible excitation, the use of a near-infrared laser induced far less fluorescence, and this enabled high quality spectra to be obtained. It is shown that it is possible to differentiate between the two types of wood using both techniques, and the reasons for these differences are discussed.

  13. Pathway Confirmation and Flux Analysis of Central Metabolic Pathways in Desulfovibrio vulgaris Hildenborough using Gas Chromatography-Mass Spectrometry and Fourier Transform-Ion Cyclotron Resonance Mass Spectrometry▿ †

    PubMed Central

    Tang, Yinjie; Pingitore, Francesco; Mukhopadhyay, Aindrila; Phan, Richard; Hazen, Terry C.; Keasling, Jay D.

    2007-01-01

    Flux distribution in central metabolic pathways of Desulfovibrio vulgaris Hildenborough was examined using 13C tracer experiments. Consistent with the current genome annotation and independent evidence from enzyme activity assays, the isotopomer results from both gas chromatography-mass spectrometry (GC-MS) and Fourier transform-ion cyclotron resonance mass spectrometry (FT-ICR MS) indicate the lack of an oxidatively functional tricarboxylic acid (TCA) cycle and an incomplete pentose phosphate pathway. Results from this study suggest that fluxes through both pathways are limited to biosynthesis. The data also indicate that >80% of the lactate was converted to acetate and that the reactions involved are the primary route of energy production [NAD(P)H and ATP production]. Independently of the TCA cycle, direct cleavage of acetyl coenzyme A to CO and 5,10-methyl tetrahydrofuran also leads to production of NADH and ATP. Although the genome annotation implicates a ferredoxin-dependent oxoglutarate synthase, isotopic evidence does not support flux through this reaction in either the oxidative or the reductive mode; therefore, the TCA cycle is incomplete. FT-ICR MS was used to locate the labeled carbon distribution in aspartate and glutamate and confirmed the presence of an atypical enzyme for citrate formation suggested in previous reports [the citrate synthesized by this enzyme is the isotopic antipode of the citrate synthesized by the (S)-citrate synthase]. These findings enable a better understanding of the relation between genome annotation and actual metabolic pathways in D. vulgaris and also demonstrate that FT-ICR MS is a powerful tool for isotopomer analysis, overcoming the problems with both GC-MS and nuclear magnetic resonance spectroscopy. PMID:17114264

  14. Fourier Transform Fabry-Perot Interferometer

    NASA Technical Reports Server (NTRS)

    Snell, Hilary E.; Hays, Paul B.

    1992-01-01

    We are developing a compact, rugged, high-resolution remote sensing instrument with wide spectral scanning capabilities. This relatively new type of instrument, which we have chosen to call the Fourier-Transform Fabry-Perot Interferometer (FT-FPI), is accomplished by mechanically scanning the etalon plates of a Fabry-Perot interferometer (FPI) through a large optical distance while examining the concomitant signal with a Fourier-transform analysis technique similar to that employed by the Michelson interferometer. The FT-FPI will be used initially as a ground-based instrument to study near-infrared atmospheric absorption lines of trace gases using the techniques of solar absorption spectroscopy. Future plans include modifications to allow for measurements of trace gases in the stratosphere using spectral lines at terahertz frequencies.

  15. Fourier Transform Fabry-Perot Interferometer

    NASA Technical Reports Server (NTRS)

    Snell, Hilary E.; Hays, Paul B.

    1992-01-01

    We are developing a compact, rugged, high-resolution remote sensing instrument with wide spectral scanning capabilities. This relatively new type of instrument, which we have chosen to call the Fourier-Transform Fabry-Perot Interferometer (FT-FPI), is accomplished by mechanically scanning the etalon plates of a Fabry-Perot interferometer (FPI) through a large optical distance while examining the concomitant signal with a Fourier-transform analysis technique similar to that employed by the Michelson interferometer. The FT-FPI will be used initially as a ground-based instrument to study near-infrared atmospheric absorption lines of trace gases using the techniques of solar absorption spectroscopy. Future plans include modifications to allow for measurements of trace gases in the stratosphere using spectral lines at terahertz frequencies.

  16. Electro-optic Imaging Fourier Transform Spectrometer

    NASA Technical Reports Server (NTRS)

    Chao, Tien-Hsin

    2005-01-01

    JPL is developing an innovative compact, low mass, Electro-Optic Imaging Fourier Transform Spectrometer (E-O IFTS) for hyperspectral imaging applications. The spectral region of this spectrometer will be 1 - 2.5 micron (1000-4000/cm) to allow high-resolution, high-speed hyperspectral imaging applications. One application will be the remote sensing of the measurement of a large number of different atmospheric gases simultaneously in the same airmass. Due to the use of a combination of birefringent phase retarders and multiple achromatic phase switches to achieve phase delay, this spectrometer is capable of hyperspectral measurements similar to that of the conventional Fourier transform spectrometer but without any moving parts. In this paper, the principle of operations, system architecture and recent experimental progress will be presented.

  17. Electro-optic Imaging Fourier Transform Spectrometer

    NASA Technical Reports Server (NTRS)

    Chao, Tien-Hsin

    2005-01-01

    JPL is developing an innovative compact, low mass, Electro-Optic Imaging Fourier Transform Spectrometer (E-0IFTS) for hyperspectral imaging applications. The spectral region of this spectrometer will be 1 - 2.5 pm (1000 -4000 cm-') to allow high-resolution, high-speed hyperspectral imaging applications [l-51. One application will be theremote sensing of the measurement of a large number of different atmospheric gases simultaneously in the sameairmass. Due to the use of a combination of birefiingent phase retarders and multiple achromatic phase switches toachieve phase delay, this spectrometer is capable of hyperspectral measurements similar to that of the conventionalFourier transform spectrometer but without any moving parts. In this paper, the principle of operations, systemarchitecture and recent experimental progress will be presen.

  18. Quantum Fourier transform in computational basis

    NASA Astrophysics Data System (ADS)

    Zhou, S. S.; Loke, T.; Izaac, J. A.; Wang, J. B.

    2017-03-01

    The quantum Fourier transform, with exponential speed-up compared to the classical fast Fourier transform, has played an important role in quantum computation as a vital part of many quantum algorithms (most prominently, Shor's factoring algorithm). However, situations arise where it is not sufficient to encode the Fourier coefficients within the quantum amplitudes, for example in the implementation of control operations that depend on Fourier coefficients. In this paper, we detail a new quantum scheme to encode Fourier coefficients in the computational basis, with fidelity 1 - δ and digit accuracy ɛ for each Fourier coefficient. Its time complexity depends polynomially on log (N), where N is the problem size, and linearly on 1/δ and 1/ɛ . We also discuss an application of potential practical importance, namely the simulation of circulant Hamiltonians.

  19. Electro-optic Imaging Fourier Transform Spectrometer

    NASA Technical Reports Server (NTRS)

    Chao, Tien-Hsin

    2005-01-01

    JPL is developing an innovative compact, low mass, Electro-Optic Imaging Fourier Transform Spectrometer (E-0IFTS) for hyperspectral imaging applications. The spectral region of this spectrometer will be 1 - 2.5 pm (1000 -4000 cm-') to allow high-resolution, high-speed hyperspectral imaging applications [l-51. One application will be theremote sensing of the measurement of a large number of different atmospheric gases simultaneously in the sameairmass. Due to the use of a combination of birefiingent phase retarders and multiple achromatic phase switches toachieve phase delay, this spectrometer is capable of hyperspectral measurements similar to that of the conventionalFourier transform spectrometer but without any moving parts. In this paper, the principle of operations, systemarchitecture and recent experimental progress will be presen.

  20. Electro-optic Imaging Fourier Transform Spectrometer

    NASA Technical Reports Server (NTRS)

    Chao, Tien-Hsin

    2005-01-01

    JPL is developing an innovative compact, low mass, Electro-Optic Imaging Fourier Transform Spectrometer (E-O IFTS) for hyperspectral imaging applications. The spectral region of this spectrometer will be 1 - 2.5 micron (1000-4000/cm) to allow high-resolution, high-speed hyperspectral imaging applications. One application will be the remote sensing of the measurement of a large number of different atmospheric gases simultaneously in the same airmass. Due to the use of a combination of birefringent phase retarders and multiple achromatic phase switches to achieve phase delay, this spectrometer is capable of hyperspectral measurements similar to that of the conventional Fourier transform spectrometer but without any moving parts. In this paper, the principle of operations, system architecture and recent experimental progress will be presented.

  1. Miniaturization of holographic Fourier-transform spectrometers.

    PubMed

    Agladze, Nikolay I; Sievers, Albert J

    2004-12-20

    Wave propagation equations in the stationary-phase approximation have been used to identify the theoretical bounds of a miniature holographic Fourier-transform spectrometer (HFTS). It is demonstrated that the HFTS throughput can be larger than for a scanning Fourier-transform spectrometer. Given room- or a higher-temperature constraint, a small HFTS has the potential to outperform a small multichannel dispersive spectrograph with the same resolving power because of the size dependence of the signal-to-noise ratio. These predictions are used to analyze the performance of a miniature HFTS made from simple optical components covering a broad spectral range from the UV to the near IR. The importance of specific primary aberrations in limiting the HFTS performance has been both identified and verified.

  2. Dispersive Fourier transformation femtosecond stimulated Raman scattering

    NASA Astrophysics Data System (ADS)

    Dobner, Sven; Fallnich, Carsten

    2016-11-01

    We present the first proof-of-principle spectroscopic measurements with purely passive dispersive Fourier transformation femtosecond stimulated Raman scattering. In femtosecond stimulated Raman scattering, the full Raman scattering spectrum is efficiently obtained, as all Raman transitions are coherently excited with the combination of a narrow-bandwidth and a broad-bandwidth (femtosecond) pulse at once. Currently, the detection speed of the spectra is limited by the read-out time of classical, comparably slow CCD-based spectrometers. We show a reduction in the acquisition time of Raman signatures by applying the dispersive Fourier transformation, a method employing wavelength-to-time transformation, in order to record the spectral composition of a single pulse with a single fast photodiode. This arrangement leads to an acquisition time of Raman signatures, scaling inversely with the repetition frequency of the applied laser system, which in our case corresponds to the order of microseconds.

  3. Collision-induced dissociation with Fourier transform mass spectrometry

    SciTech Connect

    Cody, R.B.; Burnier, R.C.; Freiser, B.S.

    1982-01-01

    Collision-induced dissociations (CID) is demonstrated on a number of primary and secondary ions using a Nicolet prototype Fourier transform mass spectrometer (FT-MS). Like the triple quadrupole technique, CID using FT-MS is a relatively low energy and efficient process. The ability to study a wide range of ion-molecule reaction products is exemplified by results on proton-bound dimers and transition metal containing ionic species. Variation of collision energy by varying the RF irradiation level can provide information about product distributions as a function of energy as well as yield ion structural information. Like the triple quadrupole technique, no slits are employed and virtually all of the fragment ions formed by the CID process may be detected. Unlike all previous mass spectrometric techniques for studying CID, a tandem instrument is not required, and different experiments are performed by making software modifications rather than hardware modifications.

  4. Fourier transform infrared spectroscopy of deuterated proteins

    NASA Astrophysics Data System (ADS)

    Marcano O., A.; Markushin, Y.; Melikechi, N.; Connolly, D.

    2008-08-01

    We report on Fourier transform spectra of deuterated proteins: Bovine Serum Albumin, Leptin, Insulin-like Growth Factor II, monoclonal antibody to ovarian cancer antigen CA125 and Osteopontin. The spectra exhibit changes in the relative amplitude and spectral width of certain peaks. New peaks not present in the non-deuterated sample are also observed. Ways for improving the deuteration of proteins by varying the temperature and dilution time are discussed. We propose the use of deuterated proteins to increase the sensitivity of immunoassays aimed for early diagnostic of diseases most notably cancer.

  5. Fourier transform channeled spectropolarimetry in the MWIR.

    PubMed

    Kudenov, Michael W; Hagen, Nathan A; Dereniak, Eustace L; Gerhart, Grant R

    2007-10-01

    A complete Fourier Transform Spectropolarimeter in the MWIR is demonstrated. The channeled spectral technique, originally developed by K. Oka, is implemented with the use of two Yttrium Vanadate (YVO(4)) crystal retarders. A basic mathematical model for the system is presented, showing that all the Stokes parameters are directly present in the interferogram. Theoretical results are compared with real data from the system, an improved model is provided to simulate the effects of absorption within the crystal, and a modified calibration technique is introduced to account for this absorption. Lastly, effects due to interferometer instabilities on the reconstructions, including nonuniform sampling and interferograms translations, are investigated and techniques are employed to mitigate them.

  6. Advanced Techniques for Fourier Transform Wavefront Reconstruction

    SciTech Connect

    Poyneer, L A

    2002-08-05

    The performance of Fourier transform (FT) reconstructors in large adaptive optics systems with Shack-Hartmann sensors and a deformable mirror is analyzed. FT methods, which are derived for point-based geometries, are adapted for use on the continuous systems. Analysis and simulation show how to compensate for effects such as misalignment of the deformable mirror and wavefront sensor gain. Further filtering methods to reduce noise and improve performance are presented. All these modifications can be implemented at the filtering stage, preserving the speed of FT reconstruction. Simulation of a large system shows how compensated FT methods can have equivalent or better performance to slower vector-matrix-multiply reconstructions.

  7. Fourier transform zero field NMR and NQR

    SciTech Connect

    Zax, D.B.

    1984-09-01

    The characterization of the structural and chemical properties of matter, particularly in disordered condensed phases, is a difficult process. Few analytical methods work effectively on polycrystalline or amorphous solids. In many systems the chemical shifts measured by traditional high resolution solid state NMR methods are insufficiently sensitive or the information contained in the dipole-dipole couplings is more important. In these cases Fourier transform zero field magnetic resonance may make an important contribution. Zero field NMR and NQR is the subjecti of this thesis.

  8. Phase amplitude conformal symmetry in Fourier transforms

    NASA Astrophysics Data System (ADS)

    Kuwata, S.

    2015-04-01

    For the Fourier transform ℑ : L2(R) → L2(R) of a complex-valued even or odd function ψ, it is found that the amplitude invariance |ℑψ| = |ψ| leads to a phase invariance or inversion as arg(ℑψ) = ±argψ + θ (θ = constant). The converse holds unless arg ψ = constant. The condition |ψ| = |ℑψ| is required in dealing with, for example, the minimum uncertainty relation between position and momentum. Without the evenness or oddness of ψ, |ℑψ| = |ψ| does not necessarily imply arg(ℑψ) = ±argψ + θ, nor is the converse.

  9. Analysis method for Fourier transform spectroscopy

    NASA Technical Reports Server (NTRS)

    Park, J. H.

    1983-01-01

    A fast Fourier transform technique is given for the simulation of those distortion effects in the instrument line shape of the interferometric spectrum that are due to errors in the measured interferogram. The technique is applied to analyses of atmospheric absorption spectra and laboratory spectra. It is shown that the nonlinear least squares method can retrieve the correct information from the distorted spectrum. Analyses of HF absorption spectra obtained in a laboratory and solar CO absorption spectra gathered by a balloon-borne interferometer indicate that the retrieved amount of absorbing gas is less than the correct value in most cases, if the interferogram distortion effects are not included in the analysis.

  10. Electro-optic imaging Fourier transform spectrometer

    NASA Technical Reports Server (NTRS)

    Chao, Tien-Hsin (Inventor); Znod, Hanying (Inventor)

    2009-01-01

    An Electro-Optic Imaging Fourier Transform Spectrometer (EOIFTS) for Hyperspectral Imaging is described. The EOIFTS includes an input polarizer, an output polarizer, and a plurality of birefringent phase elements. The relative orientations of the polarizers and birefringent phase elements can be changed mechanically or via a controller, using ferroelectric liquid crystals, to substantially measure the spectral Fourier components of light propagating through the EIOFTS. When achromatic switches are used as an integral part of the birefringent phase elements, the EIOFTS becomes suitable for broadband applications, with over 1 micron infrared bandwidth.

  11. Advanced characterisation of organic matter in oil sands and tailings sands used for land reclamation by Fourier transform-ion cyclotron resonance-mass spectrometry (FT-ICR-MS)

    NASA Astrophysics Data System (ADS)

    Noah, M.; Vieth-Hillebrand, A.; Wilkes, H.

    2012-04-01

    subsequent separation into asphaltenes, aliphatic hydrocarbons, aromatic hydrocarbons, neutral nitrogen, sulphur, oxygen (NSO) compounds and carboxylic acids. The asphaltene fractions are analysed using pyrolysis-GC, all other fractions are analysed by GC-MS. Additionally Fourier transform-ion cyclotron resonance-mass spectrometry (FT-ICR-MS) is used to study the chemical composition of the samples on the molecular level using different ionisation methods.

  12. The PROSAIC Laplace and Fourier Transform

    SciTech Connect

    Smith, G.A.

    1994-11-01

    Integral Transform methods play an extremely important role in many branches of science and engineering. The ease with which many problems may be solved using these techniques is well known. In Electrical Engineering especially, Laplace and Fourier Transforms have been used for a long time as a way to change the solution of differential equations into trivial algebraic manipulations or to provide alternate representations of signals and data. These techniques, while seemingly overshadowed by today`s emphasis on digital analysis, still form an invaluable basis in the understanding of systems and circuits. A firm grasp of the practical aspects of these subjects provides valuable conceptual tools. This tutorial paper is a review of Laplace and Fourier Transforms from an applied perspective with an emphasis on engineering applications. The interrelationship of the time and frequency domains will be stressed, in an attempt to comfort those who, after living so much of their lives in the time domain, find thinking in the frequency domain disquieting.

  13. Fourier transform zero field NMR and NQR

    SciTech Connect

    Zax, D.B.

    1985-01-01

    In many systems the chemical shifts measured by traditional high resolution solid state NMR methods are insufficiently sensitive, or the information contained in the dipole-dipole couplings is more important. In these cases, Fourier transform zero field magnetic resonance may make an important contribution. Zero field NMR and NQR is the subject of this thesis. Chapter I presents the quantum mechanical background and notational formalism for what follows. Chapter II gives a brief review of high resolution magnetic resonance methods, with particular emphasis on techniques applicable to dipole-dipole and quadrupolar couplings. Level crossings between spin-1/2 and quadrupolar spins during demagnetization transfer polarization from high to low lambda nuclei. This is the basis of very high sensitivity zero field NQR measurements by field cycling. Chapter III provides a formal presentation of the high resolution Fourier transform zero field NMR method. Theoretical signal functions are calculated for common spin systems, and examples of typical spectra are presented. Chapters IV and V review the experimental progress in zero field NMR of dipole-dipole coupled spin-1/2 nuclei and for quadrupolar spin systems. Variations of the simple experiment describe in earlier chapters that use pulsed dc fields are presented in Chapter VI.

  14. Fourier transform spectra of quantum dots

    NASA Astrophysics Data System (ADS)

    Damian, V.; Ardelean, I.; Armăşelu, Anca; Apostol, D.

    2009-09-01

    Semiconductor quantum dots are nanometer-sized crystals with unique photochemical and photophysical properties that are not available from either isolated molecules or bulk solids. These nanocrystals absorb light over a very broad spectral range as compared to molecular fluorophores which have very narrow excitation spectra. High-quality QDs are proper to be use in different biological and medical applications (as fluorescent labels, the cancer treatment and the drug delivery). In this article, we discuss Fourier transform visible spectroscopy of commercial quantum dots. We reveal that QDs produced by Evident Technologies when are enlightened by laser or luminescent diode light provides a spectral shift of their fluorescence spectra correlated to exciting emission wavelengths, as shown by the ARCspectroNIR Fourier Transform Spectrometer. In the final part of this paper we show an important biological application of CdSe/ZnS core-shell ODs as microbial labeling both for pure cultures of cyanobacteria (Synechocystis PCC 6803) and for mixed cultures of phototrophic and heterotrophic microorganisms.

  15. Fourier transform spectra of quantum dots

    NASA Astrophysics Data System (ADS)

    Damian, V.; Ardelean, I.; Armăşelu, Anca; Apostol, D.

    2010-05-01

    Semiconductor quantum dots are nanometer-sized crystals with unique photochemical and photophysical properties that are not available from either isolated molecules or bulk solids. These nanocrystals absorb light over a very broad spectral range as compared to molecular fluorophores which have very narrow excitation spectra. High-quality QDs are proper to be use in different biological and medical applications (as fluorescent labels, the cancer treatment and the drug delivery). In this article, we discuss Fourier transform visible spectroscopy of commercial quantum dots. We reveal that QDs produced by Evident Technologies when are enlightened by laser or luminescent diode light provides a spectral shift of their fluorescence spectra correlated to exciting emission wavelengths, as shown by the ARCspectroNIR Fourier Transform Spectrometer. In the final part of this paper we show an important biological application of CdSe/ZnS core-shell ODs as microbial labeling both for pure cultures of cyanobacteria (Synechocystis PCC 6803) and for mixed cultures of phototrophic and heterotrophic microorganisms.

  16. Cryogenically cooled octupole ion trap for spectroscopy of biomolecular ions.

    PubMed

    Boyarkin, Oleg V; Kopysov, Vladimir

    2014-03-01

    We present here the design of a linear octupole ion trap, suitable for collisional cryogenic cooling and spectroscopy of large ions. The performance of this trap has been assessed using ultraviolet (UV) photofragmentation spectroscopy of protonated dipeptides. At the trap temperature of 6.1 K, the vibrational temperature of the ions reaches 9.1 K, although their estimated translational temperature is ~150 K. This observation suggests that, despite the significant translational heating by radio-frequency electrical field, vibrational cooling of heavy ions in the octupole is at least as efficient as in the 22-pole ion traps previously used in our laboratory. In contrast to the 22-pole traps, excellent radial confinement of ions in the octupole makes it convenient for laser spectroscopy and boosts the dissociation yield of the stored ions to 30%. Overlap of the entire ion cloud by the laser beam in the octupole also allows for efficient UV depletion spectroscopy of ion-He clusters. The measured electronic spectra of the dipeptides and the clusters differ drastically, complicating a use of UV tagging spectroscopy for structural determination of large species.

  17. Fourier transform spectroscopy for future planetary missions

    NASA Astrophysics Data System (ADS)

    Brasunas, John; Kolasinski, John; Kostiuk, Ted; Hewagama, Tilak

    2017-01-01

    Thermal-emission infrared spectroscopy is a powerful tool for exploring the composition, temperature structure, and dynamics of planetary atmospheres; and the temperature of solid surfaces. A host of Fourier transform spectrometers (FTS) such as Mariner IRIS, Voyager IRIS, and Cassini CIRS from NASA Goddard have made and continue to make important new discoveries throughout the solar system. Future FTS instruments will have to be more sensitive (when we concentrate on the colder, outer reaches of the solar system), and less massive and less power-hungry as we cope with decreasing resource allotments for future planetary science instruments. With this in mind, we have developed CIRS-lite, a smaller version of the CIRS FTS for future planetary missions. We discuss the roadmap for making CIRS-lite a viable candidate for future planetary missions, including the recent increased emphasis on ocean worlds (Europa, Encelatus, Titan) and also on smaller payloads such as CubeSats and SmallSats.

  18. FFTW: Fastest Fourier Transform in the West

    NASA Astrophysics Data System (ADS)

    Frigo, Matteo; Johnson, Steven G.

    2012-01-01

    FFTW is a C subroutine library for computing the discrete Fourier transform (DFT) in one or more dimensions, of arbitrary input size, and of both real and complex data (as well as of even/odd data, i.e. the discrete cosine/sine transforms or DCT/DST). Benchmarks performed on a variety of platforms show that FFTW's performance is typically superior to that of other publicly available FFT software, and is even competitive with vendor-tuned codes. In contrast to vendor-tuned codes, however, FFTW's performance is portable: the same program will perform well on most architectures without modification. The FFTW library is required by other codes such as StarCrash and Hammurabi.

  19. Two-dimensional fourier transform spectrometer

    DOEpatents

    DeFlores, Lauren; Tokmakoff, Andrei

    2016-10-25

    The present invention relates to a system and methods for acquiring two-dimensional Fourier transform (2D FT) spectra. Overlap of a collinear pulse pair and probe induce a molecular response which is collected by spectral dispersion of the signal modulated probe beam. Simultaneous collection of the molecular response, pulse timing and characteristics permit real time phasing and rapid acquisition of spectra. Full spectra are acquired as a function of pulse pair timings and numerically transformed to achieve the full frequency-frequency spectrum. This method demonstrates the ability to acquire information on molecular dynamics, couplings and structure in a simple apparatus. Multi-dimensional methods can be used for diagnostic and analytical measurements in the biological, biomedical, and chemical fields.

  20. Two-dimensional fourier transform spectrometer

    DOEpatents

    DeFlores, Lauren; Tokmakoff, Andrei

    2013-09-03

    The present invention relates to a system and methods for acquiring two-dimensional Fourier transform (2D FT) spectra. Overlap of a collinear pulse pair and probe induce a molecular response which is collected by spectral dispersion of the signal modulated probe beam. Simultaneous collection of the molecular response, pulse timing and characteristics permit real time phasing and rapid acquisition of spectra. Full spectra are acquired as a function of pulse pair timings and numerically transformed to achieve the full frequency-frequency spectrum. This method demonstrates the ability to acquire information on molecular dynamics, couplings and structure in a simple apparatus. Multi-dimensional methods can be used for diagnostic and analytical measurements in the biological, biomedical, and chemical fields.

  1. Surface Inspection using fourier transform infrared spectroscopy

    SciTech Connect

    Powell, G.L.; Smyrl, N.R.; Williams, D.M.; Meyers, H.M. III; Barber, T.E.; Marrero-Rivera, M.

    1994-08-08

    The use of reflectance Fourier transform infrared (FTIR) spectroscopy as a tool for surface inspection is described. Laboratory instruments and portable instruments can support remote sensing probes that can map chemical contaminants on surfaces. Detection limits under the best of conditions are in the subnanometer range (i.e., near absolute cleanliness), excellent performance is obtained in the submicrometer range, and useful performance may exist for films tens of microns thick. Identifying and quantifying contamination such as mineral oils and greases, vegetable oils, and silicone oils on aluminum foil, galvanized sheet steel, smooth aluminum tubing, and gritblasted 7075 aluminum alloy and D6AC steel are described. The ability to map in time and space the distribution of oil stains on metals is demonstrated. Techniques for quantitatively applying oils to metals, subsequently verifying the application, and nonlinear relationships between reflectance and the quantity of oil are discussed.

  2. Fourier transform infrared spectroscopy for Mars science

    NASA Astrophysics Data System (ADS)

    Anderson, Mark S.; Andringa, Jason M.; Carlson, Robert W.; Conrad, Pamela; Hartford, Wayne; Shafer, Michael; Soto, Alejandro; Tsapin, Alexandre I.; Dybwad, Jens Peter; Wadsworth, Winthrop; Hand, Kevin

    2005-03-01

    Presented here is a Fourier transform infrared spectrometer (FTIR) for field studies that serves as a prototype for future Mars science applications. Infrared spectroscopy provides chemical information that is relevant to a number of Mars science questions. This includes mineralogical analysis, nitrogen compound recognition, truth testing of remote sensing measurements, and the ability to detect organic compounds. The challenges and scientific opportunities are given for the in situ FTIR analysis of Mars soil and rock samples. Various FTIR sampling techniques are assessed and compared to other analytical instrumentation. The prototype instrument presented is capable of providing field analysis in a Mars analog Antarctic environment. FTIR analysis of endolithic microbial communities in Antarctic rocks and a Mars meteor are given as analytical examples.

  3. Discrete Fourier transforms of nonuniformly spaced data

    NASA Technical Reports Server (NTRS)

    Swan, P. R.

    1982-01-01

    Time series or spatial series of measurements taken with nonuniform spacings have failed to yield fully to analysis using the Discrete Fourier Transform (DFT). This is due to the fact that the formal DFT is the convolution of the transform of the signal with the transform of the nonuniform spacings. Two original methods are presented for deconvolving such transforms for signals containing significant noise. The first method solves a set of linear equations relating the observed data to values defined at uniform grid points, and then obtains the desired transform as the DFT of the uniform interpolates. The second method solves a set of linear equations relating the real and imaginary components of the formal DFT directly to those of the desired transform. The results of numerical experiments with noisy data are presented in order to demonstrate the capabilities and limitations of the methods.

  4. LASER MODES AND BEAMS: Tunable fractional-order Fourier transformer

    NASA Astrophysics Data System (ADS)

    Malyutin, A. A.

    2006-01-01

    A fractional two-dimensional Fourier transformer whose orders are tuned by means of optical quadrupoles is described. It is shown that in the optical scheme considered, the Fourier-transform order a in [0,1] in one of the mutually orthogonal planes corresponds to the transform order (2-a) in another plane, i.e., to inversion and inverse Fourier transform of the order a.

  5. A cryogenic scan mechanism for use in Fourier transform spectrometers

    NASA Technical Reports Server (NTRS)

    Hakun, Claef F.; Blumenstock, Kenneth A.

    1995-01-01

    This paper describes the requirements, design, assembly and testing of the linear Scan Mechanism (SM) of the Composite Infrared Spectrometer (CIRS) Instrument. The mechanism consists of an over constrained flexible structure, an innovative moving magnet actuator, passive eddy current dampers, a Differential Eddy Current (DEC) sensor, Optical Limit Sensors (OLS), and a launch lock. Although all the components of the mechanism are discussed, the flexible structure and the magnetic components are the primary focus. Several problems encountered and solutions implemented during the development of the scan mechanism are also described.

  6. SPICA/SAFARI Fourier transform spectrometer mechanism evolutionary design

    NASA Astrophysics Data System (ADS)

    van den Dool, Teun C.; Kruizinga, Bob; Braam, Ben C.; Hamelinck, Roger F. M. M.; Loix, Nicolas; Van Loon, Dennis; Dams, Johan

    2012-09-01

    TNO, together with its partners, have designed a cryogenic scanning mechanism for use in the SAFARI1 Fourier Transform Spectrometer (FTS) on board of the SPICA mission. SPICA is one of the M-class missions competing to be launched in ESA's Cosmic Vision Programme2 in 2022. JAXA3 leads the development of the SPICA satellite and SRON is the prime investigator of the Safari instrument. The FTS scanning mechanism (FTSM) has to meet a 35 mm stroke requirement with an Optical Path Difference resolution of less then 15 nm and must fit in a small volume. It consists of two back-to-back roof-top mirrors mounted on a small carriage, which is moved using a magnetic bearing linear guiding system in combination with a magnetic linear motor serving as the OPD actuator. The FTSM will be used at cryogenic temperatures of 4 Kelvin inducing challenging requirements on the thermal power dissipation and heat leak. The magnetic bearing enables movements over a scanning stroke of 35.5 mm in a small volume. It supports the optics in a free-floating way with no friction, or other non-linearities, with sub-nanometer accuracy. This solution is based on the design of the breadboard ODL (Optical Delay Line) developed for the ESA Darwin mission4 and the MABE mechanism developed by Micromega Dynamics. During the last couple of years the initial design of the SAFARI instrument, as described in an earlier SPIE 2010 paper5, was adapted by the SAFARI team in an evolutionary way to meet the changing requirements of the SPICA payload module. This presentation will focus on the evolution of the FTSM to meet these changing requirements. This work is supported by the Netherlands Space Office (NSO).

  7. Characterization of a cryogenic ion guide at IGISOL

    NASA Astrophysics Data System (ADS)

    Saastamoinen, A.; Moore, I. D.; Ranjan, M.; Dendooven, P.; Penttilä, H.; Peräjärvi, K.; Popov, A.; Äystö, J.

    2012-09-01

    A small volume cryogenic ion guide has been characterized at the IGISOL facility, Jyväskylä, as a prototype to verify whether there are any major obstacles to the use of high-density cryogenic helium gas for the stopping and extraction of high-energy ions from a large volume cryogenic ion catcher. The expected temperature scaling of the mass flow through the ion guide has been confirmed, showing that for the same helium density, the differential pumping requirements are less stringent for cryogenic operation. At 90 K a clear reduction in the mass-analyzed impurities is achieved, although lower temperatures are required to freeze out oxygen and nitrogen. This is supported by the reduction in the measured secondary beam current exiting the ion guide in the presence of primary beam. Despite this reduction, the activity of 20Na (t=446 ms) at primary beam intensities above 1 μA is rather similar to that achieved at room temperature. A constant extraction efficiency of a beam of 58Ni+ ions, with initial energy 340 MeV, spanned approximately five orders of magnitude of ionization-rate density. In summary, the cryogenic ion guide is a promising new tool to support the improvement of low-energy beam production at the IGISOL-4 facility which is expected to be operational in 2012.

  8. The Heidelberg CSR: Stored Ion Beams in a Cryogenic Environment

    SciTech Connect

    Wolf, A.; Hahn, R. von; Grieser, M.; Orlov, D. A.; Fadil, H.; Welsch, C. P.; Andrianarijaona, V.; Diehl, A.; Schroeter, C. D.; Crespo Lopez-Urrutia, J. R.; Weber, T.; Mallinger, V.; Schwalm, D.; Ullrich, J.; Rappaport, M.; Urbain, X.; Haberstroh, Ch.; Quack, H.; Zajfman, D.

    2006-03-20

    A cryogenic electrostatic ion storage ring CSR is under development at the Max-Planck Institute for Nuclear Physics in Heidelberg, Germany. Cooling of the ultrahigh vacuum chamber is envisaged to lead to extremely low pressures as demonstrated by cryogenic ion traps. The ring will apply electron cooling with electron beams of a few eV up to 200 eV. Through long storage times of 1000 s as well as through the low wall temperature, internal cooling of infrared-active molecular ions to their rotational ground state will be possible and their collisions with merged collinear beams of electrons and neutral atoms can be detected with high energy resolution. In addition storage of slow highly charged ions is foreseen. Using a fixed in-ring gas target and a reaction microscope, collisions of the stored ions at a speed of the order of the atomic unit can be kinematically reconstructed. The layout and the cryogenic concept are introduced.

  9. Fast Fourier transform discrete dislocation dynamics

    NASA Astrophysics Data System (ADS)

    Graham, J. T.; Rollett, A. D.; LeSar, R.

    2016-12-01

    Discrete dislocation dynamics simulations have been generally limited to modeling systems described by isotropic elasticity. Effects of anisotropy on dislocation interactions, which can be quite large, have generally been ignored because of the computational expense involved when including anisotropic elasticity. We present a different formalism of dislocation dynamics in which the dislocations are represented by the deformation tensor, which is a direct measure of the slip in the lattice caused by the dislocations and can be considered as an eigenstrain. The stresses arising from the dislocations are calculated with a fast Fourier transform (FFT) method, from which the forces are determined and the equations of motion are solved. Use of the FFTs means that the stress field is only available at the grid points, which requires some adjustments/regularizations to be made to the representation of the dislocations and the calculation of the force on individual segments, as is discussed hereinafter. A notable advantage of this approach is that there is no computational penalty for including anisotropic elasticity. We review the method and apply it in a simple dislocation dynamics calculation.

  10. Imaging Fourier transform spectrometry of chemical plumes

    NASA Astrophysics Data System (ADS)

    Bradley, Kenneth C.; Gross, Kevin C.; Perram, Glen P.

    2009-05-01

    A midwave infrared (MWIR) imaging Fourier transform spectrometer (FTS), the Telops FIRST-MWE (Field-portable Imaging Radiometric Spectrometer Technology - Midwave Extended) has been utilized for the standoff detection and characterization of chemical plumes. Successful collection and analysis of MWIR hyperspectral imagery of jet engine exhaust has allowed us to produce spatial profiles of both temperature and chemical constituent concentrations of exhaust plumes. Successful characterization of this high temperature combustion event has led to the collection and analysis of hyperspectral imagery of lower temperature emissions from industrial smokestacks. This paper presents MWIR data from remote collection of hyperspectral imagery of methyl salicilate (MeS), a chemical warfare agent simulant, during the Chemical Biological Distributed Early Warning System (CBDEWS) test at Dugway Proving Grounds, UT in 2008. The data did not contain spectral lines associated with emission of MeS. However, a few broad spectral features were present in the background-subtracted plume spectra. Further analysis will be required to assign these features, and determine the utility of MWIR hyperspectral imagery for analysis of chemical warfare agent plumes.

  11. Stepwise Iterative Fourier Transform: The SIFT

    NASA Technical Reports Server (NTRS)

    Benignus, V. A.; Benignus, G.

    1975-01-01

    A program, designed specifically to study the respective effects of some common data problems on results obtained through stepwise iterative Fourier transformation of synthetic data with known waveform composition, was outlined. Included in this group were the problems of gaps in the data, different time-series lengths, periodic but nonsinusoidal waveforms, and noisy (low signal-to-noise) data. Results on sinusoidal data were also compared with results obtained on narrow band noise with similar characteristics. The findings showed that the analytic procedure under study can reliably reduce data in the nature of (1) sinusoids in noise, (2) asymmetric but periodic waves in noise, and (3) sinusoids in noise with substantial gaps in the data. The program was also able to analyze narrow-band noise well, but with increased interpretational problems. The procedure was shown to be a powerful technique for analysis of periodicities, in comparison with classical spectrum analysis techniques. However, informed use of the stepwise procedure nevertheless requires some background of knowledge concerning characteristics of the biological processes under study.

  12. Fourier transform methods in local gravity modeling

    NASA Technical Reports Server (NTRS)

    Harrison, J. C.; Dickinson, M.

    1989-01-01

    New algorithms were derived for computing terrain corrections, all components of the attraction of the topography at the topographic surface and the gradients of these attractions. These algoriithms utilize fast Fourier transforms, but, in contrast to methods currently in use, all divergences of the integrals are removed during the analysis. Sequential methods employing a smooth intermediate reference surface were developed to avoid the very large transforms necessary when making computations at high resolution over a wide area. A new method for the numerical solution of Molodensky's problem was developed to mitigate the convergence difficulties that occur at short wavelengths with methods based on a Taylor series expansion. A trial field on a level surface is continued analytically to the topographic surface, and compared with that predicted from gravity observations. The difference is used to compute a correction to the trial field and the process iterated. Special techniques are employed to speed convergence and prevent oscillations. Three different spectral methods for fitting a point-mass set to a gravity field given on a regular grid at constant elevation are described. Two of the methods differ in the way that the spectrum of the point-mass set, which extends to infinite wave number, is matched to that of the gravity field which is band-limited. The third method is essentially a space-domain technique in which Fourier methods are used to solve a set of simultaneous equations.

  13. Fourier transform spectroscopy for future planetary missions

    NASA Astrophysics Data System (ADS)

    Brasunas, John C.; Hewagama, Tilak; Kolasinski, John R.; Kostiuk, Theodor

    2015-11-01

    Thermal-emission infrared spectroscopy is a powerful tool for exploring the composition, temperature structure, and dynamics of planetary atmospheres; and the temperature of solid surfaces. A host of Fourier transform spectrometers (FTS) such as Mariner IRIS, Voyager IRIS, and Cassini CIRS from NASA Goddard have made and continue to make important new discoveries throughout the solar system.Future FTS instruments will have to be more sensitive (when we concentrate on the colder, outer reaches of the solar system), and less massive and less power-hungry as we cope with decreasing resource allotments for future planetary science instruments. With this in mind, NASA Goddard was funded via the Planetary Instrument Definition and Development Progrem (PIDDP) to develop CIRS-lite, a smaller version of the CIRS FTS for future planetary missions. Following the initial validation of CIRS-lite operation in the laboratory, we have been acquiring atmospheric data in the 8-12 micron window at the 1.2 m telescope at the Goddard Geophysical and Astronomical Observatory (GGAO) in Greenbelt, MD. Targets so far have included Earth's atmosphere (in emission, and in absorption against the moon), and Venus.We will present the roadmap for making CIRS-lite a viable candidate for future planetary missions.

  14. VLSI Implementation Of The Fast Fourier Transform

    NASA Astrophysics Data System (ADS)

    Chau, Paul M.; Ku, Walter H.

    1986-03-01

    A VLSI implementation of a Fast Fourier Transform (FFT) processor consisting of a mesh interconnection of complex floating-point butterfly units is presented. The Cooley-Tukey radix-2 Decimation-In-Frequency (DIF) formulation of the FFT was chosen since it offered the best overall compromise between the need for fast and efficient algorithmic computation and the need for a structure amenable to VLSI layout. Thus the VLSI implementation is modular, regular, expandable to various problem sizes and has a simple systolic flow of data and control. To evaluate the FFT architecture, VLSI area-time complexity concepts are used, but are now adapted to a complex floating-point number system rather than the usual integer ring representation. We show by our construction that the Thompson area-time optimum bound for the VLSI computation of an N-point FFT, area-time2oc = ORNlogN)1+a] can be attained by an alternative number representation, and hence the theoretical bound is a tight bound regardless of number system representation.

  15. Fourier Transforms Simplified: Computing an Infrared Spectrum from an Interferogram

    ERIC Educational Resources Information Center

    Hanley, Quentin S.

    2012-01-01

    Fourier transforms are used widely in chemistry and allied sciences. Examples include infrared, nuclear magnetic resonance, and mass spectroscopies. A thorough understanding of Fourier methods assists the understanding of microscopy, X-ray diffraction, and diffraction gratings. The theory of Fourier transforms has been presented in this "Journal",…

  16. Geometric interpretations of the Discrete Fourier Transform (DFT)

    NASA Technical Reports Server (NTRS)

    Campbell, C. W.

    1984-01-01

    One, two, and three dimensional Discrete Fourier Transforms (DFT) and geometric interpretations of their periodicities are presented. These operators are examined for their relationship with the two sided, continuous Fourier transform. Discrete or continuous transforms of real functions have certain symmetry properties. The symmetries are examined for the one, two, and three dimensional cases. Extension to higher dimension is straight forward.

  17. Fourier Transforms Simplified: Computing an Infrared Spectrum from an Interferogram

    ERIC Educational Resources Information Center

    Hanley, Quentin S.

    2012-01-01

    Fourier transforms are used widely in chemistry and allied sciences. Examples include infrared, nuclear magnetic resonance, and mass spectroscopies. A thorough understanding of Fourier methods assists the understanding of microscopy, X-ray diffraction, and diffraction gratings. The theory of Fourier transforms has been presented in this "Journal",…

  18. On-line textile quality control using optical Fourier transforms

    NASA Astrophysics Data System (ADS)

    Castellini, C.; Francini, F.; Longobardi, G.; Tiribilli, B.; Sansoni, P.

    Fourier transformation and spatial filtering offer the possibility of detecting structural defects in a fabric. In this paper a method based on an optical Fourier transform technique during the weaving process is described. Significant variations in the Fourier pattern occurring in the presence of defective fabric are recognised with a CCD sensor joined to an electronic hardware system performing a simple algorithm.

  19. Laser and Fourier Transform Spectroscopy of Novel Propellant Molecules

    DTIC Science & Technology

    1990-07-01

    Classification) 63 Laser and Fourier Transform Spectroscopy of Novel Propellant Molecules (U) 12. PERSONAL AUTHOR(S) Bernath, Peter F. 13a. TYPE OF REPORT...Publications (Supported by F04611-87-K-0020) 1. C.R. Brazier, P.F. Bernath, J.B. Burkholder and C.J. Howard, Fourier Transform Spectroscopy of the v3

  20. Angular acceptance analysis of an infrared focal plane array with a built-in stationary Fourier transform spectrometer.

    PubMed

    Gillard, Frédéric; Ferrec, Yann; Guérineau, Nicolas; Rommeluère, Sylvain; Taboury, Jean; Chavel, Pierre

    2012-06-01

    Stationary Fourier transform spectrometry is an interesting concept for building reliable field or embedded spectroradiometers, especially for the mid- and far- IR. Here, a very compact configuration of a cryogenic stationary Fourier transform IR (FTIR) spectrometer is investigated, where the interferometer is directly integrated in the focal plane array (FPA). We present a theoretical analysis to explain and describe the fringe formation inside the FTIR-FPA structure when illuminated by an extended source positioned at a finite distance from the detection plane. The results are then exploited to propose a simple front lens design compatible with a handheld package.

  1. Thermal stabilization of static single-mirror Fourier transform spectrometers

    NASA Astrophysics Data System (ADS)

    Schardt, Michael; Schwaller, Christian; Tremmel, Anton J.; Koch, Alexander W.

    2017-05-01

    Fourier transform spectroscopy has become a standard method for spectral analysis of infrared light. With this method, an interferogram is created by two beam interference which is subsequently Fourier-transformed. Most Fourier transform spectrometers used today provide the interferogram in the temporal domain. In contrast, static Fourier transform spectrometers generate interferograms in the spatial domain. One example of this type of spectrometer is the static single-mirror Fourier transform spectrometer which offers a high etendue in combination with a simple, miniaturized optics design. As no moving parts are required, it also features a high vibration resistance and high measurement rates. However, it is susceptible to temperature variations. In this paper, we therefore discuss the main sources for temperature-induced errors in static single-mirror Fourier transform spectrometers: changes in the refractive index of the optical components used, variations of the detector sensitivity, and thermal expansion of the housing. As these errors manifest themselves in temperature-dependent wavenumber shifts and intensity shifts, they prevent static single-mirror Fourier transform spectrometers from delivering long-term stable spectra. To eliminate these shifts, we additionally present a work concept for the thermal stabilization of the spectrometer. With this stabilization, static single-mirror Fourier transform spectrometers are made suitable for infrared process spectroscopy under harsh thermal environmental conditions. As the static single-mirror Fourier transform spectrometer uses the so-called source-doubling principle, many of the mentioned findings are transferable to other designs of static Fourier transform spectrometers based on the same principle.

  2. Geostationary Fourier Transform Spectrometer (GeoFTS)

    NASA Astrophysics Data System (ADS)

    Sander, S. P.; Bekker, D. L.; Blavier, J. L.; Duren, R. M.; Eldering, A.; Frankenberg, C.; Key, R.; Manatt, K.; Miller, C. E.; Natraj, V.; Rider, D. M.; Wu, Y.

    2012-12-01

    In order to confidently project the future evolution of climate and support efforts to mitigate the climate change, quantifying the emissions of CO2 and CH4 is a national and international priority. To accomplish this goal, new observational approaches are required that operate over spatial scales ranging from regional to global, and temporal scales from diurnal to decadal. Geostationary satellite observations of CO2, CH4 and correlative quantities such as CO and chlorophyll fluorescence provide a new measurement approach to deliver the quantity and quality of data needed for improved flux estimates and an improved understanding of the partitioning between biogenic and anthropogenic sources. GeoFTS is an exciting new concept that combines the game changing technology of imaging Fourier Transform Spectroscopy with the observational advantages of a geostationary orbit. The GeoFTS observations enable well-posed surface-atmospheric carbon exchange assessments as well as quantify the atmospheric signatures of anthropogenic CO2 and CH4 emissions. GeoFTS uses a single instrument to make measurements in the near-infrared spectral region at high spectral resolution. The imaging FTS measures atmospheric CO2, CH4, and CO to deliver high-resolution maps multiple times per day. A half-meter-sized cube, the instrument is designed to be a secondary "hosted" payload on a commercial GEO satellite. The instrument leverages recent NASA technology investments, uses a flight-proven interferometer and sensor chip assemblies, and requires no new technology development. NASA and other government agencies have adopted the hosted payload implementation approach because it substantially reduces the overall mission cost. Dense continuous mapping (4 km x 4 km pixels at 40 deg. latitude) is a transformational advance beyond, and complementary to, the capabilities of the NASA missions of record in low earth orbit, providing two to three orders of magnitude improvement in the number of

  3. Probing peptide fragment ion structures by combining sustained off-resonance collision-induced dissociation and gas-phase H/D exchange (SORI-HDX) in Fourier transform ion-cyclotron resonance (FT-ICR) instruments.

    PubMed

    Somogyi, Arpád

    2008-12-01

    The usefulness of gas-phase H/D exchange is demonstrated to probe heterogeneous fragment and parent ion populations. Singly and multiply protonated peptides/proteins were fragmented by using sustained off-resonance irradiation collision-induced dissociation (SORI-CID). The fragments and the surviving precursor ions then all undergo H/D exchange in the gas-phase with either D(2)O or CD(3)OD under the same experimental conditions. Usually, 10 to 60 s of reaction time is adequate to monitor characteristic differences in the H/D exchange kinetic rates. These differences are then correlated to isomeric ion structures. The SORI-HDX method can be used to rapidly test fragment ion structures and provides useful insights into peptide fragmentation mechanisms.

  4. Fourier Transform Spectroscopy of Semiconductor Heterostructures

    NASA Astrophysics Data System (ADS)

    Wiggins, Graham Charles

    1990-01-01

    Available from UMI in association with The British Library. Requires signed TDF. A Fourier transform spectrometer system was developed in order to study cyclotron resonance (CR) in semiconductor samples containing a two-dimensional electron gas (2DEG). In GaAs/AlGaAs quantum well (QW) samples the CR energy at high magnetic fields is significantly higher than expected, demonstrating the presence of localising potential fluctuations. The resonance is only substantially shifted when nu < 2. The large shifts observed in these QW samples can be attributed to the poor quality of the "inverted" interface, where GaAs is grown on top of AlGaAs. The shifted resonance appears to obey the coupled harmonic oscillator relation hbaromega = hbar( omega_{rm c}^2 + omega_0^2 )^{1 over2}, but comparison is also made to the case of zero-dimensional "quantum dot" samples. An attempt is made to explain the disappearance of the shirt for nu > 2 and the effect of screening is considered. In tilted magnetic fields resonant subband Landau -level coupling (RSLC) gives rise to split CR lineshapes when hbaromega_{rm c}~ E_{01} . In two ultra-high mobility GaAs heterojunctions, instead of the usual "anticrossing" behaviour, at small tilt angles the two branches overlap substantially. The depletion charge in these samples is extremely low, resulting in a very large difference in the z-extent of the first and second subbands. It is suggested that strong hybridization of the second subband wavefunction near coupling leads to a renormalization of the depolarization shift, smearing out the coupling process. In highly tilted magnetic fields (~ 25^circ tilt) one GaAs heterojunction exhibits an unexpected "fine splitting" below the main RSLC. Deconvolution of the split lineshapes reveals that the magnitude and position of the splitting depend on tilt angle and carrier concentration, but no solid explanation has been found. Filling factor dependent oscillations in the CR position and shape were observed

  5. Laser ablation/Fourier transform mass spectrometry of polymers

    NASA Astrophysics Data System (ADS)

    Creasy, William R.; Brenna, J. T.

    1989-10-01

    Laser ablation/ionization followed by Fourier transform mass spectrometry is used to identify and characterize polymers. The mass spectra of several polymers are discussed, including polyimide, polyamic acid, Dupont Tefzel, and polyphenylene sulfide.

  6. Fourier transform techniques for the inference of cloud motion

    NASA Technical Reports Server (NTRS)

    Lo, R. C.; Rosenfeld, A.

    1974-01-01

    The development and evaluation are reported of phase shift techniques based on the Fourier transform for the estimation of cloud motion from geosynchronous meteorological satellite photographs. An alternative approach to cloud motion estimation, involving thresholding, was proposed and studied.

  7. Fourier Analysis and Structure Determination: Part I: Fourier Transforms.

    ERIC Educational Resources Information Center

    Chesick, John P.

    1989-01-01

    Provides a brief introduction with some definitions and properties of Fourier transforms. Shows relations, ways of understanding the mathematics, and applications. Notes proofs are not included but references are given. First of three part series. (MVL)

  8. A discrete Fourier transform for virtual memory machines

    NASA Technical Reports Server (NTRS)

    Galant, David C.

    1992-01-01

    An algebraic theory of the Discrete Fourier Transform is developed in great detail. Examination of the details of the theory leads to a computationally efficient fast Fourier transform for the use on computers with virtual memory. Such an algorithm is of great use on modern desktop machines. A FORTRAN coded version of the algorithm is given for the case when the sequence of numbers to be transformed is a power of two.

  9. Leak Location in Plates Using Spatial Fourier Transform Based Analysis

    NASA Astrophysics Data System (ADS)

    Roberts, R.; Holland, S.; Strei, M.; Song, J.; Chimenti, D. E.

    2005-04-01

    The location of air leaks in plate-like structures is examined using a spatial Fourier transform based analysis. Noise data is collected over 2-D spatial arrays at sensor locations, from which mean cross-correlations are compiled. Propagation properties, transit times, and energy distribution among modes are extracted through spatial Fourier transformation of these data. A simple algorithm to determine source location using a reduced set of transform data is demonstrated experimentally, based upon extraction of energy propagation direction.

  10. Fourier transform spectroscopy in the visible and ultraviolet range.

    PubMed

    Luc, P; Gerstenkorn, S

    1978-05-01

    In cases where the photon noise is the limiting factor, the multiplex gain is not always conserved; however the throughput (Jacquinot's advantage) is not affected. Therefore extension of Fourier transform spectroscopy to higher frequencies has great possibilities. Studies at high resolution, both in emission and in absorption, show that the performance achieved by Fourier transform spectroscopy in the visible and uv range is comparable with that reached in the ir.

  11. Xgremlin: Interferograms and spectra from Fourier transform spectrometers analysis

    NASA Astrophysics Data System (ADS)

    Nave, G.; Griesmann, U.; Brault, J. W.; Abrams, M. C.

    2015-11-01

    Xgremlin is a hardware and operating system independent version of the data analysis program Gremlin used for Fourier transform spectrometry. Xgremlin runs on PCs and workstations that use the X11 window system, including cygwin in Windows. It is used to Fourier transform interferograms, plot spectra, perform phase corrections, perform intensity and wavenumber calibration, and find and fit spectral lines. It can also be used to construct synthetic spectra, subtract continua, compare several different spectra, and eliminate ringing around lines.

  12. Negative ions in cryogenic media (Review Article)

    NASA Astrophysics Data System (ADS)

    Shikin, V.; Nazin, S.

    2017-06-01

    We discuss localization of free electrons embedded in cryogenic media. These electrons do not bind to gas atoms within the confinement length of the order of the Bohr radius, but can participate in formation of "condensons"—many-particle complexes first introduced and studied by Lifshitz. The formalism is based on the construction of the interaction energy, W(a0, ng), between the electron and the gas medium. The functional form of W(a0, ng) is generally non-linear in the gas density ng and the details of the interaction between the electron and a single atom in the gas approximation are determined from the characteristic scattering length a0, which determines both the sign and strength of W(a0, ng). An explicit expression for W(a0, ng), allows for a uniform description of various effects based on formation of "condensons" of electronic origin observed in cryogenic media. These include formation of bubbles ("bubble effect") for a0 > 0 and possibly alternative, charged gas density enhancement domains for a0 < 0, where electron plays a collectivizing role. The formalism is in qualitative agreement with direct measurements of the minimal energy Vinject (generally non-linear in ng) required to inject an electron into cryogenic media, as well as other experimental observations.

  13. Fourier Transforms of Pulses Containing Exponential Leading and Trailing Profiles

    SciTech Connect

    Warshaw, S I

    2001-07-15

    In this monograph we discuss a class of pulse shapes that have exponential rise and fall profiles, and evaluate their Fourier transforms. Such pulses can be used as models for time-varying processes that produce an initial exponential rise and end with the exponential decay of a specified physical quantity. Unipolar examples of such processes include the voltage record of an increasingly rapid charge followed by a damped discharge of a capacitor bank, and the amplitude of an electromagnetic pulse produced by a nuclear explosion. Bipolar examples include acoustic N waves propagating for long distances in the atmosphere that have resulted from explosions in the air, and sonic booms generated by supersonic aircraft. These bipolar pulses have leading and trailing edges that appear to be exponential in character. To the author's knowledge the Fourier transforms of such pulses are not generally well-known or tabulated in Fourier transform compendia, and it is the purpose of this monograph to derive and present these transforms. These Fourier transforms are related to a definite integral of a ratio of exponential functions, whose evaluation we carry out in considerable detail. From this result we derive the Fourier transforms of other related functions. In all Figures showing plots of calculated curves, the actual numbers used for the function parameter values and dependent variables are arbitrary and non-dimensional, and are not identified with any particular physical phenomenon or model.

  14. Electro-Optical Imaging Fourier-Transform Spectrometer

    NASA Technical Reports Server (NTRS)

    Chao, Tien-Hsin; Zhou, Hanying

    2006-01-01

    An electro-optical (E-O) imaging Fourier-transform spectrometer (IFTS), now under development, is a prototype of improved imaging spectrometers to be used for hyperspectral imaging, especially in the infrared spectral region. Unlike both imaging and non-imaging traditional Fourier-transform spectrometers, the E-O IFTS does not contain any moving parts. Elimination of the moving parts and the associated actuator mechanisms and supporting structures would increase reliability while enabling reductions in size and mass, relative to traditional Fourier-transform spectrometers that offer equivalent capabilities. Elimination of moving parts would also eliminate the vibrations caused by the motions of those parts. Figure 1 schematically depicts a traditional Fourier-transform spectrometer, wherein a critical time delay is varied by translating one the mirrors of a Michelson interferometer. The time-dependent optical output is a periodic representation of the input spectrum. Data characterizing the input spectrum are generated through fast-Fourier-transform (FFT) post-processing of the output in conjunction with the varying time delay.

  15. Progress Toward Innovations in Cryogenic Ion Cluster Spectrometers

    NASA Astrophysics Data System (ADS)

    Howdieshell, Casey J.; Garand, Etienne

    2017-06-01

    Cryogenic Ion Vibrational Spectroscopy (CIVS) is a useful technique that yields rich information about non-covalent interactions in various systems including catalytic complexes, small biologically relevant molecules, and solvent networks. Current instrumentation demands high production costs and large laboratory facilities. We have designed an affordable and compact instrument that is capable of current CIVS experiments. This setup utilizes an ion funnel and a Linear Trap Quadrupole (LTQ) which improves the ion density and allows for spectroscopic interrogation directly in the trap. Preliminary results and future innovations will be discussed.

  16. Dispersive Fourier transformation for fast continuous single-shot measurements

    NASA Astrophysics Data System (ADS)

    Goda, K.; Jalali, B.

    2013-02-01

    Dispersive Fourier transformation is an emerging measurement technique that overcomes the speed limitations of traditional optical instruments and enables fast continuous single-shot measurements in optical sensing, spectroscopy and imaging. Using chromatic dispersion, dispersive Fourier transformation maps the spectrum of an optical pulse to a temporal waveform whose intensity mimics the spectrum, thus allowing a single-pixel photodetector to capture the spectrum at a scan rate significantly beyond what is possible with conventional space-domain spectrometers. Over the past decade, this method has brought us a new class of real-time instruments that permit the capture of rare events such as optical rogue waves and rare cancer cells in blood, which would otherwise be missed using conventional instruments. In this Review, we discuss the principle of dispersive Fourier transformation and its implementation across a wide range of diverse applications.

  17. Inverse Fourier Transform in the Gamma Coordinate System

    PubMed Central

    Wei, Yuchuan; Yu, Hengyong; Wang, Ge

    2011-01-01

    This paper provides auxiliary results for our general scheme of computed tomography. In 3D parallel-beam geometry, we first demonstrate that the inverse Fourier transform in different coordinate systems leads to different reconstruction formulas and explain why the Radon formula cannot directly work with truncated projection data. Also, we introduce a gamma coordinate system, analyze its properties, compute the Jacobian of the coordinate transform, and define weight functions for the inverse Fourier transform assuming a simple scanning model. Then, we generate Orlov's theorem and a weighted Radon formula from the inverse Fourier transform in the new system. Furthermore, we present the motion equation of the frequency plane and the conditions for sharp points of the instantaneous rotation axis. Our analysis on the motion of the frequency plane is related to the Frenet-Serret theorem in the differential geometry. PMID:21076520

  18. Cryogenic linear Paul trap for cold highly charged ion experiments.

    PubMed

    Schwarz, M; Versolato, O O; Windberger, A; Brunner, F R; Ballance, T; Eberle, S N; Ullrich, J; Schmidt, P O; Hansen, A K; Gingell, A D; Drewsen, M; López-Urrutia, J R Crespo

    2012-08-01

    Storage and cooling of highly charged ions require ultra-high vacuum levels obtainable by means of cryogenic methods. We have developed a linear Paul trap operating at 4 K capable of very long ion storage times of about 30 h. A conservative upper bound of the H(2) partial pressure of about 10(-15) mbar (at 4 K) is obtained from this. External ion injection is possible and optimized optical access for lasers is provided, while exposure to black body radiation is minimized. First results of its operation with atomic and molecular ions are presented. An all-solid state laser system at 313 nm has been set up to provide cold Be(+) ions for sympathetic cooling of highly charged ions.

  19. Fractional Fourier transform in temporal ghost imaging with classical light

    SciTech Connect

    Setaelae, Tero; Shirai, Tomohiro; Friberg, Ari T.

    2010-10-15

    We investigate temporal, second-order classical ghost imaging with long, incoherent, scalar plane-wave pulses. We prove that in rather general conditions, the intensity correlation function at the output of the setup is given by the fractional Fourier transform of the temporal object. In special cases, the correlation function is shown to reduce to the ordinary Fourier transform and the temporal image of the object. Effects influencing the visibility and the resolution are considered. This work extends certain known results on spatial ghost imaging into the time domain and could find applications in temporal tomography of pulses.

  20. Modulated Fourier Transform Raman Fiber-Optic Spectroscopy

    NASA Technical Reports Server (NTRS)

    Jensen, Brian J. (Inventor); Cooper, John B. (Inventor); Wise, Kent L. (Inventor)

    2000-01-01

    A modification to a commercial Fourier Transform (FT) Raman spectrometer is presented for the elimination of thermal backgrounds in the FT Raman spectra. The modification involves the use of a mechanical optical chopper to modulate the continuous wave laser, remote collection of the signal via fiber optics, and connection of a dual-phase digital-signal-processor (DSP) lock-in amplifier between the detector and the spectrometer's collection electronics to demodulate and filter the optical signals. The resulting Modulated Fourier Transform Raman Fiber-Optic Spectrometer is capable of completely eliminating thermal backgrounds at temperatures exceeding 300 C.

  1. Fourier-transform and global contrast interferometer alignment methods

    DOEpatents

    Goldberg, Kenneth A.

    2001-01-01

    Interferometric methods are presented to facilitate alignment of image-plane components within an interferometer and for the magnified viewing of interferometer masks in situ. Fourier-transforms are performed on intensity patterns that are detected with the interferometer and are used to calculate pseudo-images of the electric field in the image plane of the test optic where the critical alignment of various components is being performed. Fine alignment is aided by the introduction and optimization of a global contrast parameter that is easily calculated from the Fourier-transform.

  2. Phase retrieval for attacking fractional Fourier transform encryption.

    PubMed

    Kong, Dezhao; Shen, Xueju; Cao, Liangcai; Jin, Guofan

    2017-04-20

    An advanced iterative phase retrieval algorithm is applied to perform a ciphertext-only attack on the fractional Fourier transform-based double random phase encryption system. With the given complex amplitude of ciphertext and definite support of the object image, the original object image can be recovered by estimating the energy of support area in the recovered image. The encryption system can be attacked by analyzing the sensibility of fractional Fourier transform order keys and evaluating the energy of the object image support area. The proposed algorithm can obtain encrypted fractional order and retrieve two random phase keys. Numerical results demonstrate the efficacy of the proposed attacking method.

  3. Application of Fourier transform spectroscopy to air pollution problems

    NASA Astrophysics Data System (ADS)

    Shaw, J. H.; Calvert, J. G.

    1980-11-01

    The nature of information that can be retrieved from spectra obtained with Fourier transform spectroscopy is discussed. Nonlinear, least squares analysis of spectra is capable of retrieving information that is beyond the reach of conventional methods and has improved precision and accuracy. Fourier transform infrared spectroscopy was used to study quantitatively the kinetics and mechanisms of several chemical reactions that are of interest to atmospheric chemists and are important in the development of air pollution control strategies. The systems studied include the metastable, reactive, gaseous species, peroxynitric acid, hypochlorous acid, and dimethylnitrosamine.

  4. Inverse problem approaches for stationary Fourier transform spectrometers.

    PubMed

    Gillard, Frédéric; Lefebvre, Sidonie; Ferrec, Yann; Mugnier, Laurent; Rommeluère, Sylvain; Benoit, Céline; Guérineau, Nicolas; Taboury, Jean

    2011-07-01

    A design of a miniaturized stationary Fourier transform IR spectrometer has been developed that produces a two-dimensional interferogram. The latter is disturbed by effects like parasitic interferences or disparities in the cutoff wavelength of the pixels. Thus, a simple Fourier transform cannot be used to estimate the spectrum of the scene. However, as these defects are deterministic, they can be measured and taken into account by inversion methods. A regularization term can also be added. The first experimental results prove the efficiency of this processing methodology.

  5. Fractional Fourier transform of Lorentz-Gauss beams.

    PubMed

    Zhou, Guoquan

    2009-02-01

    Lorentz-Gauss beams are introduced to describe certain laser sources that produce highly divergent beams. The fractional Fourier transform (FRFT) is applied to treat the propagation of Lorentz-Gauss beams. Based on the definition of convolution and the convolution theorem of the Fourier transform, an analytical expression for a Lorentz-Gauss beam passing through an FRFT system has been derived. By using the derived expression, the properties of a Lorentz-Gauss beam in the FRFT plane are graphically illustrated with numerical examples.

  6. Simultaneous determination of analyte concentrations, gas-phase basicities, and proton transfer kinetics using gas chromatography/Fourier transform ion cyclotron resonance mass spectrometry (GC/FT-ICR MS)

    NASA Astrophysics Data System (ADS)

    Szulejko, Jan E.; Luo, Zhaohui; Solouki, Touradj

    2006-11-01

    Details on using analyte gas-phase basicity (GB) or proton affinity (PA) as an additional analysis dimension in GC/FT-ICR MS are reported. Ion-molecule reactions of chemical ionization (CI) reagent ions with the GC separated C1, C2, and C3 aromatic neutral (viz., toluene, m-xylene, and mesitylene) and ketone (acetone, 3-pentanone, and 4-heptanone) molecules were monitored. A suite of CI reagent ions was generated by self-chemical ionization (SCI) of ethanol in an ICR cell. Multiplexed reactant ion monitoring (MRIM) of the CI reagent ions (RiH+) was used for GB bracketing of the neutral analytes eluting from the GC column. The PAs of the conjugate bases (Ri) of the reagent/reactant ions spanned a wide range (~170 to ~200 kcal mol-1). A kinetic model was constructed to relate the degree of reactant ion depletion to analyte concentration and proton transfer reaction efficiency. Our experimental GB estimations, based on the thermokinetic data, were in broad agreement with the GB values reported in the NIST database and primary sources (experimental and ab initio). Experimentally measured MRIM chromatogram profiles and kinetic analysis were used to estimate analyte gas-phase pressures in the ICR cell and losses to the surfaces in the ICR vacuum chamber. The MRIM approach permits GB determinations of multiple analytes in a single GC run and provides an additional dimension to improve analytical resolution in GC/FT-ICR MS.

  7. Ion Acceleration by Laser Plasma Interaction from Cryogenic Microjets

    SciTech Connect

    Propp, Adrienne

    2015-08-16

    Processes that occur in extreme conditions, such as in the center of stars and large planets, can be simulated in the laboratory using facilities such as SLAC National Accelerator Laboratory and the Jupiter Laser Facility (JLF) at Lawrence Livermore National Laboratory (LLNL). These facilities allow scientists to investigate the properties of matter by observing their interactions with high-power lasers. Ion acceleration from laser plasma interaction is gaining greater attention today due to its widespread potential applications, including proton beam cancer therapy and fast ignition for energy production. Typically, ion acceleration is achieved by focusing a high power laser on thin foil targets through a mechanism called Target Normal Sheath Acceleration. However, this mechanism is not ideal for creating the high-energy proton beams needed for future applications. Based on research and recent experiments, we hypothesized that a pure liquid cryogenic jet would be an ideal target for exploring new regimes of ion acceleration. Furthermore, it would provide a continuous, pure target, unlike metal foils which are consumed in the interaction and easily contaminated. In an effort to test this hypothesis, we used the 527 nm split beam, frequency-doubled TITAN laser at JLF. Data from the cryogenic jets was limited due to the flow of current up the jet into the nozzle during the interaction, heating the jet and damaging the orifice. However, we achieved a pure proton beam with evidence of a monoenergetic feature. Furthermore, data from gold and carbon wires showed surprising and interesting results. Preliminary analysis of data from two ion emission diagnostics, Thomson parabola spectrometers (TPs) and radio chromic films (RCFs), suggests that shockwave acceleration occurred rather than target normal sheath acceleration, the standard mechanism of ion acceleration. Upon completion of the experiment at TITAN, I researched the possibility of transforming our liquid cryogenic

  8. Effective novel dissociation methods for intact protein: heat-assisted nozzle-skimmer collisionally induced dissociation and infrared multiphoton dissociation using a Fourier transform ion cyclotron resonance mass spectrometer equipped with a micrometal electrospray ionization emitter.

    PubMed

    Yamada, Naoyuki; Suzuki, Ei-Ichiro; Hirayama, Kazuo

    2006-01-01

    Heating of a nano-electrospray ionization (nanoESI) source can improve the dissociation efficiency of collisionally induced dissociation (CID) methods, such as nozzle-skimmer CID (NS-CID) and infrared multiphoton dissociation (IRMPD), for large biomolecule fragmentation. A metal nanoESI emitter was used due to its resistance to heating above 250 degrees C. This novel method for the dissociation of large biomolecular ions is termed "heat-assisted NS-CID" (HANS-CID) or "heat-assisted IRMPD" (HA-IRMPD). Multiple charged nonreduced protein ions (8.6 Da ubiquitin, 14 kDa lysozyme, and 67 kDa bovine serum albumin) were directly dissociated by HANS-CID and HA-IRMPD to effectively yield fragment ions that could be assigned. The fragment ions of ubiquitin by HANS-CID can be analyzed by tandem mass spectrometry (MS/MS) using sustained off-resonance irradiation CID (SORI-CID) and IRMPD. In addition, a native large protein, immunoglobulin G (IgG, 150 kDa), was efficiently dissociated by HA-IRMPD. The product ions that were obtained reflected the domain structure of IgG. However, these product ions of IgG and lysozyme were not dissociated by MS/MS using the same heating energetic methods such as IRMPD and SORI-CID.

  9. A Sublinear Algorithm of Sparse Fourier Transform for Nonequispaced Data

    DTIC Science & Technology

    2005-08-12

    and discussions, I would thank my adviser Ingrid Daubechies. In addition, I thank Weinan E, Anna Gilbert, Martin Strauss for their suggestions...2002-2004. [15] S. KUNIS, D. POTTS, G. STEIDL , Fast Fourier transform at nonequispaced knots: A user’s guide to a C-library, Manual of NFFT 2.0

  10. Spatial Fourier Transform Analysis of Polishing Pad Surface Topography

    NASA Astrophysics Data System (ADS)

    Khajornrungruang, Panart; Kimura, Keiichi; Okuzono, Takahisa; Suzuki, Keisuke; Kushida, Takashi

    2012-05-01

    The spatial Fourier transform analysis is proposed to quantitatively evaluate the irregular topography of the conditioned chemical mechanical polishing (CMP) pad surface. We discuss the power spectrum in the spatial wavelengths of the surface topographies corresponding to polishing time. We conclude that the spatial wavelength of less than 5 µm in the topography yielded high material removal rates.

  11. The q-Fourier transformation of q-generalized functions

    SciTech Connect

    Ol'shanetskii, M A; Rogov, V-B K

    1999-06-30

    A study is made of functions on the lattice generated by the integer powers of q{sup 2}, 0Fourier transformation is constructed based on the Jackson integral in the space of generalized functions on the lattice.

  12. From Fresnel patterns to fractional Fourier transform through geometrical optics

    NASA Astrophysics Data System (ADS)

    Mas, David; Ferreira, Carlos; Garcia, Javier; Bernardo, Luis M.

    2000-06-01

    A covariant relation between fractional Fourier transform patterns and diffraction patterns is obtained by applying the Gauss equation of geometrical optics. Thus, Fresnel and fractional domains cannot be considered as independent domains, since one is just a geometrical image of the other, providing a physical and direct connection.

  13. Blind digital watermarking method in the fractional Fourier transform domain

    NASA Astrophysics Data System (ADS)

    Lang, Jun; Zhang, Zheng-guang

    2014-02-01

    In this paper, we proposed a novel blind digital image watermarking algorithm based on the fractional Fourier transform (FRFT), which is a generalization of the ordinary Fourier transform and its output has the mixed time and frequency components of the signal. The original image is segmented into non-overlapping blocks for watermarking, and each block is transformed by the two dimensional fractional Fourier transform with two fractional orders. Then each pixel value of binary watermark is embedded by modifying the back-diagonal FRFT coefficients of each image block at the same location with a random array. After perform an inverse two dimensional fractional Fourier transform, we can obtain the watermarked image and the transform orders can be consider as the encryption keys in this method. A series of attacking experiments are performed on the proposed method. The experiments results show that the proposed algorithm not only is of good imperceptibility and security and is very robust to JPEG compression noise attacks and image manipulation operations, but also can provide protection even under compound attacks.

  14. Optical correlation based on the fractional Fourier transform.

    PubMed

    Granieri, S; Arizaga, R; Sicre, E E

    1997-09-10

    Some properties of optical correlation based on the fractional Fourier transform are analyzed. For a particular set of fractional orders, a filter is obtained that becomes insensitive to scale variations of the object. An optical configuration is also proposed to carry out the fractional correlation in a flexible way, and some experimental results are shown.

  15. Fourier transform spectroscopy of cotton and cotton trash

    USDA-ARS?s Scientific Manuscript database

    Fourier Transform techniques have been shown to have higher signal-to-noise capabilities, higher throughput, negligible stray light, continuous spectra, and higher resolution. In addition, FT spectroscopy affords for frequencies in spectra to be measured all at once and more precise wavelength calib...

  16. Fast Fourier Transform Chlorine Nuclear Quadrupole Resonance Spectroscopy.

    NASA Astrophysics Data System (ADS)

    D'Iorio, Marie

    A nuclear quadrupole resonance spectrometer operating in the frequency range 1-40 MHz was updated for fast Fourier transform spectroscopy and coupled to a Nicolet 1180 computer and data acquisition system. It was used with a low temperature cryostat for studies shown down to liquid helium temperature and with a high pressure/low temperature system for studies down to liquid nitrogen temperature and up to six kilobars. The study of the ('35)Cl NQR spectrum of K(,2)OsCl(,6) at 298 K and 77 K revealed the presence of a satellite associated with the nearest neighbour chlorines to H('+) ion impurities located at vacant octahedral sties. This result is in agreement with the predictions of a point charge model calculation. A residence time for the H('+) ion was deduced and is consistent with the result obtained from dielectric measurements. A detailed study of the ('35)Cl NQR frequency in K(,2)ReCl(,6) was performed in the temperature range 85 - 130K where two structural phase transitions occur, and at pressures from 1 to 2643 bars. A number of unusual features were revealed and discussed as the possible signature of incommensurate behavior. The primary effect of the pressure was to alter the temperatures at which the phase transitions occurred. Contrary to the behavior expected, the transition temperature for the antiferrorotative transition has a negative pressure coefficient. The spin-lattice and spin-spin relaxation times for the ('35)Cl and ('37)Cl isotopes of the one dimensional XY system, PrCl(,3), were measured at 4.2K. The spin-lattice relaxation is exponential and dominated by magnetic dipole -dipole interactions. The spin-spin relaxation is non-exponential and dominated by electric quadrupolar interactions arising from the coupling of the electric dipole moment at the praseodymium site and the quadrupole moment of the chlorine ion. The temperature dependence of the spin-spin relaxation time was investigated. At 17.4 K both magnetic dipolar and electric

  17. Cryogenic helium as stopping medium for high-energy ions

    NASA Astrophysics Data System (ADS)

    Purushothaman, S.; Dendooven, P.; Moore, I.; Penttilä, H.; Ronkainen, J.; Saastamoinen, A.; Äystö, J.; Peräjärvi, K.; Takahashi, N.; Gloos, K.

    2008-10-01

    We have investigated the survival and transport efficiency of 219Rn ions emitted by a 223Ra source in high-density cryogenic helium gas, with ionisation of the gas induced by a proton beam. The combined efficiency of ion survival and transport by an applied electric field was measured as a function of ionisation rate density for electric fields up to 160 V/cm and for three temperature and density combinations: 77 K, 0.18 mg/cm3, 10 K, 0.18 mg/cm3 and 10 K, 0.54 mg/cm3. At low beam intensity or high electric field, an efficiency of 30 % is obtained, confirming earlier results. A sharp drop in efficiency is observed at a "threshold" ionisation rate density which increases with the square of the applied electric field. At 160 V/cm, the efficiency stays above 10% up to an ionisation rate density of 1012 ion-electron pairs/cm3/s. The observed behaviour is understood as the result of shielding of the applied field by the weak plasma created by the proton beam: it counteracts the effective transport of ions and electrons, leading to recombination between the two. We conclude that cryogenic helium gas at high-density and high electric field is a promising medium for the transformation of very high-energy ions into low-energy ones.

  18. Exploring Cryogenic Focused Ion Beam Milling as a Group III-V Device Fabrication Tool

    DTIC Science & Technology

    2013-09-01

    focused ion beam (cryo-FIB) milling as a Group III-V device fabrication tool. Cryogenic cooling of III-V semiconductor material during Ga + FIB irradiation...potential applications of cryogenic focused ion beam (cryo-FIB) milling as a Group III-V device fabrication tool. Cryogenic cooling of III-V semiconductor...sensitivity to the Ga ion beam . This sensitivity is manifested as changes in the structure and chemical composition of the starting material upon exposure to

  19. Chemical characterization of latent fingerprints by matrix-assisted laser desorption ionization, time-of-flight secondary ion mass spectrometry, mega electron volt secondary mass spectrometry, gas chromatography/mass spectrometry, X-ray photoelectron spectroscopy, and attenuated total reflection Fourier transform infrared spectroscopic imaging: an intercomparison.

    PubMed

    Bailey, Melanie J; Bright, Nicholas J; Croxton, Ruth S; Francese, Simona; Ferguson, Leesa S; Hinder, Stephen; Jickells, Sue; Jones, Benjamin J; Jones, Brian N; Kazarian, Sergei G; Ojeda, Jesus J; Webb, Roger P; Wolstenholme, Rosalind; Bleay, Stephen

    2012-10-16

    The first analytical intercomparison of fingerprint residue using equivalent samples of latent fingerprint residue and characterized by a suite of relevant techniques is presented. This work has never been undertaken, presumably due to the perishable nature of fingerprint residue, the lack of fingerprint standards, and the intradonor variability, which impacts sample reproducibility. For the first time, time-of-flight secondary ion mass spectrometry, high-energy secondary ion mass spectrometry, and X-ray photoelectron spectroscopy are used to target endogenous compounds in fingerprints and a method is presented for establishing their relative abundance in fingerprint residue. Comparison of the newer techniques with the more established gas chromatography/mass spectrometry and attenuated total reflection Fourier transform infrared spectroscopic imaging shows good agreement between the methods, with each method detecting repeatable differences between the donors, with the exception of matrix-assisted laser desorption ionization, for which quantitative analysis has not yet been established. We further comment on the sensitivity, selectivity, and practicability of each of the methods for use in future police casework or academic research.

  20. Cryogenic Sample Stage for the CAMECA IMS-3f Ion Microscope.

    DTIC Science & Technology

    2014-09-26

    aid Identify by Weir niobar) *Secondary Ion Mass Spectrometry (SIMS) *pv Frozen )*drated ,Iymples . * Ion A’icroscopy; / Cryogenic- Laboratory...samples at cryogenic temperatures. This is particu- larly useful-*for the ion microscopic analysis of frozen hydrated samples (biologi-.. cals), and

  1. A Novel Application of Fourier Transform Spectroscopy with HEMT Amplifiers at Microwave Frequencies

    NASA Technical Reports Server (NTRS)

    Wilkinson, David T.; Page, Lyman

    1995-01-01

    The goal was to develop cryogenic high-electron-mobility transistor (HEMT) based radiometers and use them to measure the anisotropy in the cosmic microwave background (CMB). In particular, a novel Fourier transform spectrometer (FTS) built entirely of waveguide components would be developed. A dual-polarization Ka-band HEMT radiometer and a similar Q-band radiometer were built. In a series of measurements spanning three years made from a ground-based site in Saskatoon, SK, the amplitude, frequency spectrum, and spatial frequency spectrum of the anisotropy were measured. A prototype Ka-band FTS was built and tested, and a simplified version is proposed for the MAP satellite mission. The 1/f characteristics of HEMT amplifiers were quantified using correlation techniques.

  2. Fourier transform infrared spectroscopy techniques for the analysis of drugs of abuse

    NASA Astrophysics Data System (ADS)

    Kalasinsky, Kathryn S.; Levine, Barry K.; Smith, Michael L.; Magluilo, Joseph J.; Schaefer, Teresa

    1994-01-01

    Cryogenic deposition techniques for Gas Chromatography/Fourier Transform Infrared (GC/FT-IR) can be successfully employed in urinalysis for drugs of abuse with detection limits comparable to those of the established Gas Chromatography/Mass Spectrometry (GC/MS) technique. The additional confidence of the data that infrared analysis can offer has been helpful in identifying ambiguous results, particularly, in the case of amphetamines where drugs of abuse can be confused with over-the-counter medications or naturally occurring amines. Hair analysis has been important in drug testing when adulteration of urine samples has been a question. Functional group mapping can further assist the analysis and track drug use versus time.

  3. Discrete Fourier Transform Analysis in a Complex Vector Space

    NASA Technical Reports Server (NTRS)

    Dean, Bruce H.

    2009-01-01

    Alternative computational strategies for the Discrete Fourier Transform (DFT) have been developed using analysis of geometric manifolds. This approach provides a general framework for performing DFT calculations, and suggests a more efficient implementation of the DFT for applications using iterative transform methods, particularly phase retrieval. The DFT can thus be implemented using fewer operations when compared to the usual DFT counterpart. The software decreases the run time of the DFT in certain applications such as phase retrieval that iteratively call the DFT function. The algorithm exploits a special computational approach based on analysis of the DFT as a transformation in a complex vector space. As such, this approach has the potential to realize a DFT computation that approaches N operations versus Nlog(N) operations for the equivalent Fast Fourier Transform (FFT) calculation.

  4. Implementing quantum Fourier transform with integrated photonic devices

    NASA Astrophysics Data System (ADS)

    Tabia, Gelo Noel

    2014-03-01

    Many quantum algorithms that exhibit exponential speedup over their classical counterparts employ the quantum Fourier transform, which is used to solve interesting problems such as prime factorization. Meanwhile, nonclassical interference of single photons achieved on integrated platforms holds the promise of achieving large-scale quantum computation with multiport devices. An optical multiport device can be built to realize any quantum circuit as a sequence of unitary operations performed by beam splitters and phase shifters on path-encoded qudits. In this talk, I will present a recursive scheme for implementing quantum Fourier transform with a multimode interference photonic integrated circuit. Research at Perimeter Institute is supported by the Government of Canada through Industry Canada and by the Province of Ontario through the Ministry of Research and Innovation.

  5. Time-frequency representation measurement based on temporal Fourier transformation

    NASA Astrophysics Data System (ADS)

    Suen, Yifan; Xiao, Shaoqiu; Hao, Sumin; Zhao, Xiaoxiang; Xiong, Yigao; Liu, Shenye

    2016-10-01

    We propose a new scheme to physically realize the short-time Fourier transform (STFT) of chirped optical pulse using time-lens array that enables us to get time-frequency representation without using FFT algorithm. The time-lens based upon the four-wave mixing is used to perform the process of temporal Fourier transformation. Pump pulse is used for both providing the quadratic phase and being the window function of STFT. The idea of STFT is physically realized in our scheme. Simulations have been done to investigate performance of the time-frequency representation scheme (TFRS) in comparison with STFT using FFT algorithm. Optimal measurement of resolution in time and frequency has been discussed.

  6. Ultrafast ranging lidar based on real-time Fourier transformation.

    PubMed

    Xia, Haiyun; Zhang, Chunxi

    2009-07-15

    Real-time Fourier-transformation-based ranging lidar using a mode-locked femtosecond fiber laser is demonstrated. The object signal and the reference signal are guided from a fiber Mach-Zehnder interferometer into a dispersive element. The two optical pulses extend and overlap with each other temporally, which yields a microwave pulse on the photodetector with its frequency proportional to the time delay between the two signals. The temporal interferograms are transformed from the time domain into the frequency domain using a time-to-frequency conversion function obtained in the calibration process. The Fourier transform is used in the data processing. A range resolution of 334 nm at a sampling rate of 48.6 MHz over a distance of 16 cm is demonstrated in the laboratory.

  7. Fourier transform digital holographic adaptive optics imaging system

    PubMed Central

    Liu, Changgeng; Yu, Xiao; Kim, Myung K.

    2013-01-01

    A Fourier transform digital holographic adaptive optics imaging system and its basic principles are proposed. The CCD is put at the exact Fourier transform plane of the pupil of the eye lens. The spherical curvature introduced by the optics except the eye lens itself is eliminated. The CCD is also at image plane of the target. The point-spread function of the system is directly recorded, making it easier to determine the correct guide-star hologram. Also, the light signal will be stronger at the CCD, especially for phase-aberration sensing. Numerical propagation is avoided. The sensor aperture has nothing to do with the resolution and the possibility of using low coherence or incoherent illumination is opened. The system becomes more efficient and flexible. Although it is intended for ophthalmic use, it also shows potential application in microscopy. The robustness and feasibility of this compact system are demonstrated by simulations and experiments using scattering objects. PMID:23262541

  8. Scalable Fourier transform system for instantly structured illumination in lithography.

    PubMed

    Ye, Yan; Xu, Fengchuan; Wei, Guojun; Xu, Yishen; Pu, Donglin; Chen, Linsen; Huang, Zhiwei

    2017-05-15

    We report the development of a unique scalable Fourier transform 4-f system for instantly structured illumination in lithography. In the 4-f system, coupled with a 1-D grating and a phase retarder, the ±1st order of diffracted light from the grating serve as coherent incident sources for creating interference patterns on the image plane. By adjusting the grating and the phase retarder, the interference fringes with consecutive frequencies, as well as their orientations and phase shifts, can be generated instantly within a constant interference area. We demonstrate that by adapting this scalable Fourier transform system into lithography, the pixelated nano-fringe arrays with arbitrary frequencies and orientations can be dynamically produced in the photoresist with high variation resolution, suggesting its promising application for large-area functional materials based on space-variant nanostructures in lithography.

  9. Fourier transform digital holographic adaptive optics imaging system.

    PubMed

    Liu, Changgeng; Yu, Xiao; Kim, Myung K

    2012-12-10

    A Fourier transform digital holographic adaptive optics imaging system and its basic principles are proposed. The CCD is put at the exact Fourier transform plane of the pupil of the eye lens. The spherical curvature introduced by the optics except the eye lens itself is eliminated. The CCD is also at image plane of the target. The point-spread function of the system is directly recorded, making it easier to determine the correct guide-star hologram. Also, the light signal will be stronger at the CCD, especially for phase-aberration sensing. Numerical propagation is avoided. The sensor aperture has nothing to do with the resolution and the possibility of using low coherence or incoherent illumination is opened. The system becomes more efficient and flexible. Although it is intended for ophthalmic use, it also shows potential application in microscopy. The robustness and feasibility of this compact system are demonstrated by simulations and experiments using scattering objects.

  10. Fully phase encrypted memory using cascaded extended fractional Fourier transform

    NASA Astrophysics Data System (ADS)

    Nishchal, Naveen K.; Joseph, Joby; Singh, Kehar

    2003-11-01

    In this paper, we implement a fully phase encrypted memory system using cascaded extended fractional Fourier transform (FRT). We encrypt and decrypt a two-dimensional image obtained from an amplitude image. The fully phase image to be encrypted is fractional Fourier transformed three times and random phase masks are placed in the two intermediate planes. Performing the FRT three times increases the key size, at an added complexity of one more lens. The encrypted image is holographically recorded in a photorefractive crystal and is then decrypted by generating through phase conjugation, conjugate of encrypted image. The decrypted phase image is converted into an amplitude image by using phase contrast technique. A lithium niobate crystal has been used as a phase contrast filter to reconstruct the phase image, alleviating the need of alignment in the Fourier plane, thereby making the system rugged.

  11. Perfect vortex beam: Fourier transformation of a Bessel beam.

    PubMed

    Vaity, Pravin; Rusch, Leslie

    2015-02-15

    We derive a mathematical description of a perfect vortex beam as the Fourier transformation of a Bessel beam. Building on this development, we experimentally generate Bessel-Gauss beams of different orders and Fourier transform them to form perfect vortex beams. By controlling the radial wave vector of a Bessel-Gauss beam, we can control the ring radius of the generated beam. Our theoretical predictions match with the experimental results and also provide an explanation for previous published works. We find the perfect vortex resembles that of an orbital angular momentum (OAM) mode supported in annular profiled waveguides. Our prefect vortex beam generation method can be used to excite OAM modes in an annular core fiber.

  12. Visible Imaging Fourier Transform Spectrometer: Design and Calibration

    SciTech Connect

    Wishnow, E H; Wurtz, R; Blais-Ouellette, S; Cook, K H; Carr, D; Lewis, I; Grandmont, F; Stubbs, C W

    2002-09-19

    We present details of the design, operation and calibration of an astronomical visible-band imaging Fourier transform spectrometer (IFTS). This type of instrument produces a spectrum for every pixel in the field of view where the spectral resolution is flexible. The instrument is a dual-input/dual-output Michelson interferometer coupled to the 3.5 meter telescope at the Apache Point Observatory. Imaging performance and interferograms and spectra from calibration sources and standard stars are discussed.

  13. An algorithm for the basis of the finite Fourier transform

    NASA Technical Reports Server (NTRS)

    Santhanam, Thalanayar S.

    1995-01-01

    The Finite Fourier Transformation matrix (F.F.T.) plays a central role in the formulation of quantum mechanics in a finite dimensional space studied by the author over the past couple of decades. An outstanding problem which still remains open is to find a complete basis for F.F.T. In this paper we suggest a simple algorithm to find the eigenvectors of F.T.T.

  14. Spatially resolved two-dimensional Fourier transform electron spin resonance

    NASA Astrophysics Data System (ADS)

    Ewert, Uwe; Crepeau, Richard H.; Lee, Sanghyuk; Dunnam, Curt R.; Xu, Dajiang; Freed, Jack H.

    1991-09-01

    Fourier transform ESR methods have been extended to permit spatially resolved two-dimensional (2D)-ESR experiments. This is illustrated for the case of 2D-electron-electron double resonance (2D-ELDOR) spectra of nitroxides in a liquid that exhibits appreciable cross-peaks due to Heisenberg spin exchange. The use of spin-echo decays in spatially resolved FT-ESR is also demonstrated.

  15. Fast Fourier transformation results from gamma-ray burst profiles

    NASA Technical Reports Server (NTRS)

    Kouveliotou, Chryssa; Norris, Jay P.; Fishman, Gerald J.; Meegan, Charles A.; Wilson, Robert B.; Paciesas, W. S.

    1992-01-01

    Several gamma-ray bursts in the BATSE data have sufficiently long durations and complex temporal structures with pulses that appear to be spaced quasi-periodically. In order to test and quantify these periods we have applied fast Fourier transformations (FFT) to all these events. We have also performed cross spectral analyses of the FFT of the two extreme (high-low) energy bands in each case to determine the lead/lag of the pulses in different energies.

  16. Fractional Fourier transform for off-axis elliptical Gaussian beams

    NASA Astrophysics Data System (ADS)

    Zheng, Chongwei

    2006-03-01

    The fractional Fourier transform (FRT) is applied to off-axis elliptical Gaussian beam (EGB). An analytical formula is derived for the FRT of off-axis EGB in terms of the tensor method. The corresponding tensor ABCD law for performing the FRT of off-axis EGB is also obtained. By using the derived formulae, numerical examples are given. The derived formulae provide a convenient way for analyzing and calculating the FRT of off-axis EGB.

  17. Magnetic suspension based Fourier Transform Infrared Spectrometer mechanism (FTIS)

    NASA Astrophysics Data System (ADS)

    Köker, Ingo; Langenbach, Harald; Schmid, Manfred; Lautier, Jean-Michel

    2005-07-01

    In the frame of an ESTEC technology contract the development of a Magnetically Suspended Fourier Transform Spectrometer Mechanism (FTIS) was carried out. The aim of the development is to avoid the issues found in mechanically suspended systems and to provide an active alignment and disturbance rejection capability for spectrometer applications. In the frame of FTIS an actively controlled suspension system based on the use of magnetic bearings was defined, developed and built as a demonstration model.

  18. Optical signal processing - Fourier transforms and convolution/correlation

    NASA Astrophysics Data System (ADS)

    Rhodes, William T.

    The application of Fourier techniques and linear-systems theory to the analysis and synthesis of optical systems is described in a theoretical review, and Fourier-based optical signal-processing methods are considered. Topics examined include monochromatic wave fields and their phasor representation, wave propagation, Fourier-transform and spectrum analysis with a spherical lens, coherent and incoherent imaging and spatial filtering, and a channelized spectrum analyzer (using both spherical and cylindrical lenses) for multiple one-dimensional input signals.

  19. Mass spectral peak distortion due to Fourier transform signal processing.

    PubMed

    Rockwood, Alan L; Erve, John C L

    2014-12-01

    Distortions of peaks can occur when one uses the standard method of signal processing of data from the Orbitrap and other FT-based methods of mass spectrometry. These distortions arise because the standard method of signal processing is not a linear process. If one adds two or more functions, such as time-dependent signals from a Fourier transform mass spectrometer and performs a linear operation on the sum, the result is the same as if the operation was performed on separate functions and the results added. If this relationship is not valid, the operation is non-linear and can produce unexpected and/or distorted results. Although the Fourier transform itself is a linear operator, the standard algorithm for processing spectra in Fourier transform-based methods include non-linear mathematical operators such that spectra processed by the standard algorithm may become distorted. The most serious consequence is that apparent abundances of the peaks in the spectrum may be incorrect. In light of these considerations, we performed theoretical modeling studies to illustrate several distortion effects that can be observed, including abundance distortions. In addition, we discuss experimental systems where these effects may manifest, including suggested systems for study that should demonstrate these peak distortions. Finally, we point to several examples in the literature where peak distortions may be rationalized by the phenomena presented here.

  20. Wavelength-encoded tomography based on optical temporal Fourier transform

    NASA Astrophysics Data System (ADS)

    Zhang, Chi; Wong, Kenneth K. Y.

    2014-09-01

    We propose and demonstrate a technique called wavelength-encoded tomography (WET) for non-invasive optical cross-sectional imaging, particularly beneficial in biological system. The WET utilizes time-lens to perform the optical Fourier transform, and the time-to-wavelength conversion generates a wavelength-encoded image of optical scattering from internal microstructures, analogous to the interferometery-based imaging such as optical coherence tomography. Optical Fourier transform, in principle, comes with twice as good axial resolution over the electrical Fourier transform, and will greatly simplify the digital signal processing after the data acquisition. As a proof-of-principle demonstration, a 150 -μm (ideally 36 μm) resolution is achieved based on a 7.5-nm bandwidth swept-pump, using a conventional optical spectrum analyzer. This approach can potentially achieve up to 100-MHz or even higher frame rate with some proven ultrafast spectrum analyzer. We believe that this technique is innovative towards the next-generation ultrafast optical tomographic imaging application.

  1. New Measurements of Doubly Ionized Iron Group Spectra by High Resolution Fourier Transform and Grating Spectroscopy

    NASA Technical Reports Server (NTRS)

    Smillie, D. G.; Pickering, J. C.; Blackwell-Whitehead, R. J.; Smith, Peter L.; Nave, G.

    2006-01-01

    We report new measurements of doubly ionized iron group element spectra, important in the analysis of B-type (hot) stars whose spectra they dominate. These measurements include Co III and Cr III taken with the Imperial College VUV Fourier transform (FT) spectrometer and measurements of Co III taken with the normal incidence vacuum spectrograph at NIST, below 135 nm. We report new Fe III grating spectra measurements to complement our FT spectra. Work towards transition wavelengths, energy levels and branching ratios (which, combined with lifetimes, produce oscillator strengths) for these ions is underway.

  2. Characterization of naturally-occurring and modified fullerenes by Fourier transform mass spectrometry

    NASA Astrophysics Data System (ADS)

    Hettich, Robert L.; Jin, Changming; Compton, Robert N.; Buseck, Peter R.; Tsipursky, Semeon J.

    1993-10-01

    Fourier transform mass spectrometry (FTMS) employing both laser desorption/ionization and thermal desorption/electron ionization is useful for the detection and structural characterization of fullerenes and chemically-modified fullerenes. Examination of a carbon-rich shungite rock sample from Russia by transmission electron microscopy and FTMS provided evidence of naturally-occurring fullerenes. Ion-molecule reactions can be studied with FTMS to investigate the electron affinities of modified fullerenes. By monitoring charge exchange reactions, the electron affinities of C60Fx (x=44,46) and C70Fy (y=52,54) were found to be substantially higher than the values for the parent fullerenes.

  3. Infrared ion spectroscopy inside a mass-selective cryogenic 2D linear ion trap.

    PubMed

    Cismesia, Adam P; Tesler, Larry F; Bell, Matthew R; Bailey, Laura S; Polfer, Nicolas C

    2017-07-27

    We demonstrate operation of the first cryogenic 2D linear ion trap (LIT) with mass-selective capabilities. This trap presents a number of advantages for infrared ion "action" spectroscopy studies, particularly those employing the "tagging/messenger" spectroscopy approach. The high trapping efficiencies, trapping capacities, and low detection limits make 2D LITs a highly suitable choice for low-concentration analytes from scarce biological samples. In our trap, ions can be cooled down to cryogenic temperatures to achieve higher-resolution infrared spectra, and individual ions can be mass selected prior to irradiation for a background-free photodissociation scheme. Conveniently, multiple tagged analyte ions can be mass isolated and efficiently irradiated in the same experiment, allowing their infrared spectra to be recorded in parallel. This multiplexed approach is critical in terms of increasing the duty cycle of infrared ion spectroscopy, which is currently a key weakness of the technique. The compact design of this instrument, coupled with powerful mass selection capabilities, set the stage for making cryogenic infrared ion spectroscopy viable as a bioanalytical tool in small molecule identification. This article is protected by copyright. All rights reserved.

  4. The parallel implementation of the one-dimensional Fourier transformed Vlasov Poisson system

    NASA Astrophysics Data System (ADS)

    Eliasson, Bengt

    2005-08-01

    A parallel implementation of an algorithm for solving the one-dimensional, Fourier transformed Vlasov-Poisson system of equations is documented, together with the code structure, file formats and settings to run the code. The properties of the Fourier transformed Vlasov-Poisson system is discussed in connection with the numerical solution of the system. The Fourier method in velocity space is used to treat numerical problems arising due the filamentation of the solution in velocity space. Outflow boundary conditions in the Fourier transformed velocity space removes the highest oscillations in velocity space. A fourth-order compact Padé scheme is used to calculate derivatives in the Fourier transformed velocity space, and spatial derivatives are calculated with a pseudo-spectral method. The parallel algorithms used are described in more detail, in particular the parallel solver of the tri-diagonal systems occurring in the Padé scheme. Program summaryTitle of program:vlasov Catalogue identifier:ADVQ Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADVQ Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Operating system under which the program has been tested: Sun Solaris; HP-UX; Read Hat Linux Programming language used: FORTRAN 90 with Message Passing Interface (MPI) Computers: Sun Ultra Sparc; HP 9000/785; HP IPF (Itanium Processor Family) ia64 Cluster; PCs cluster Number of lines in distributed program, including test data, etc.:3737 Number of bytes in distributed program, including test data, etc.:18 772 Distribution format: tar.gz Nature of physical problem: Kinetic simulations of collisionless electron-ion plasmas. Method of solution: A Fourier method in velocity space, a pseudo-spectral method in space and a fourth-order Runge-Kutta scheme in time. Memory required to execute with typical data: Uses typically of the order 10 5-10 6 double precision numbers. Restriction on the complexity of the problem: The program uses

  5. Four Forms of the Fourier Transform - for Freshmen, using Matlab

    NASA Astrophysics Data System (ADS)

    Simons, F. J.; Maloof, A. C.

    2016-12-01

    In 2015, a Fall "Freshman Seminar" at Princeton University (http://geoweb.princeton.edu/people/simons/FRS-SESC.html) taught students to combine field observations of the natural world with quantitative modeling and interpretation, to answer questions like: "How have Earth and human histories been recorded in the geology of Princeton, the Catskills, France and Spain?" (where we took the students on a data-gathering field trip during Fall Break), and "What experiments and analysis can a first-year (possibly non-future-major) do to query such archives of the past?" In the classroom, through problem sets, and around campus, students gained practical experience collecting geological and geophysical data in a geographic context, and analyzing these data using statistical techniques such as regression, time-series and image analysis, with the programming language Matlab. In this presentation I will detail how we instilled basic Matlab skills for quantitative geoscience data analysis through a 6-week progression of topics and exercises. In the 6 weeks after the Fall Break trip, we strengthened these competencies to make our students fully proficient for further learning, as evidenced by their end-of-term independent research work.The particular case study is focused on introducing power-spectral analysis to Freshmen, in a way that even the least quantitative among them could functionally understand. Not counting (0) "inspection", the four ways by which we have successfully instilled the concept of power-spectral analysis in a hands-on fashion are (1) "correlation", (2) "inversion", (3) "stacking", and formal (4) "Fourier transformation". These four provide the main "mappings". Along the way, of course, we also make sure that the students understand that "power-spectral density estimation" is not the same as "Fourier transformation", nor that every Fourier transform has to be "Fast". Hence, concepts from analysis-of-variance techniques, regression, and hypothesis testing

  6. Fiber-optic thermometer using Fourier transform spectroscopy

    NASA Technical Reports Server (NTRS)

    Beheim, Glenn; Sotomayor, Jorge L.; Flatico, Joseph M.; Azar, Massood T.

    1991-01-01

    An integrated-optic Mach-Zender interferometer is used as a Fourier transform spectrometer to analyze the input and output spectra of a temperature-sensing thin-film etalon. This configuration provides a high degree of immunity to the effects of changes in the source spectrum, and it readily permits the interrogation of a number of different sensors using a single spectrometer. In addition, this system has a potentially low cost because it uses optical communications hardware that may in the future be manufactured in large quantities.

  7. Fourier transform infrared - attenuated total reflection for wheat grain

    NASA Astrophysics Data System (ADS)

    Suchowilska, E.; Kandler, W.; Wiwart, M.; Krska, R.

    2012-04-01

    Mid-infrared regions of the spectrum of grain of four Triticum species were analyzed using Fourier transform infrared - attenuated total reflection. Significant variations were noted in the absorbance of all studied taxa over four wavenumber ranges. The principal component analysis supported strong discrimination of the four examined species. The percentage of variation explained by the first two principal component analyses reached 95.04%, including principal components 1-72.16% and 2-22.88%. The applied method supports quick identification of the grains of various hulled species of wheat and it is a useful tool for evaluating the seeds and food products obtained from those cereal species.

  8. Quantum control in two-dimensional Fourier-transform spectroscopy

    SciTech Connect

    Lim, Jongseok; Lee, Han-gyeol; Lee, Sangkyung; Ahn, Jaewook

    2011-07-15

    We present a method that harnesses coherent control capability to two-dimensional Fourier-transform optical spectroscopy. For this, three ultrashort laser pulses are individually shaped to prepare and control the quantum interference involved in two-photon interexcited-state transitions of a V-type quantum system. In experiments performed with atomic rubidium, quantum control for the enhancement and reduction of the 5P{sub 1/2}{yields} 5P{sub 3/2} transition was successfully tested in which the engineered transitions were distinguishably extracted in the presence of dominant one-photon transitions.

  9. Laser and Fourier-transform spectroscopy of KCa

    NASA Astrophysics Data System (ADS)

    Gerschmann, Julia; Schwanke, Erik; Pashov, Asen; Knöckel, Horst; Ospelkaus, Silke; Tiemann, Eberhard

    2017-09-01

    KCa was produced in a heat-pipe oven and its thermal emission spectrum around 8900 cm-1 was recorded with a high-resolution Fourier-transform spectrometer. In addition, many selected transitions of this spectrum between deeply bound vibrational levels of the X (1) 2Σ+ and (2) 2Σ+ states were studied using laser excitation to facilitate the assignment of the lines. The ground state is described for v''=0 -5 and the (2) 2Σ+ state for v'=0 -8 with rotational levels up to 175. For both states, Dunham coefficients, spin-rotation parameters, and potential energy curves are derived.

  10. Atomic transition probabilities of Ce I from Fourier transform spectra

    NASA Astrophysics Data System (ADS)

    Nitz, D. E.; Lawler, J. E.; Chisholm, J.; Wood, M. P.; Sobeck, J.; den Hartog, E. A.

    2010-03-01

    We report transition probabilities for 2874 lines of CeI in the wavelength range 360 -- 1500 nm. These are derived from new branching fraction measurements on Fourier transform spectra normalized with recently-reported radiative lifetimes (Den Hartog et al., J. Phys. B 42, 085006 (2009)). We have analyzed the decay branches for 153 upper levels in 14 different spectra recorded under a variety of discharge lamp conditions. Comparison of results with previous less extensive investigations shows good agreement for lines studied in common. Accurate Ce I transition probabilities are needed for applications in astrophysics and in lighting research, particularly for the development of improved metal halide high-intensity discharge lamps.

  11. Atomic transition probabilities of Ce I from Fourier transform spectra

    NASA Astrophysics Data System (ADS)

    Lawler, J. E.; Chisholm, J.; Nitz, D. E.; Wood, M. P.; Sobeck, J.; Den Hartog, E. A.

    2010-04-01

    Atomic transition probabilities for 2874 lines of the first spectrum of cerium (Ce I) are reported. These data are from new branching fraction measurements on Fourier transform spectra normalized with previously reported radiative lifetimes from time-resolved laser-induced-fluorescence measurements (Den Hartog et al 2009 J. Phys. B: At. Mol. Opt. Phys. 42 085006). The wavelength range of the data set is from 360 to 1500 nm. Comparisons are made to previous investigations which are less extensive. Accurate Ce i transition probabilities are needed for lighting research and development on metal halide high-intensity discharge lamps.

  12. Hyperspectral imaging using the single-pixel Fourier transform technique

    NASA Astrophysics Data System (ADS)

    Jin, Senlin; Hui, Wangwei; Wang, Yunlong; Huang, Kaicheng; Shi, Qiushuai; Ying, Cuifeng; Liu, Dongqi; Ye, Qing; Zhou, Wenyuan; Tian, Jianguo

    2017-03-01

    Hyperspectral imaging technology is playing an increasingly important role in the fields of food analysis, medicine and biotechnology. To improve the speed of operation and increase the light throughput in a compact equipment structure, a Fourier transform hyperspectral imaging system based on a single-pixel technique is proposed in this study. Compared with current imaging spectrometry approaches, the proposed system has a wider spectral range (400-1100 nm), a better spectral resolution (1 nm) and requires fewer measurement data (a sample rate of 6.25%). The performance of this system was verified by its application to the non-destructive testing of potatoes.

  13. Conformations of seven-membered rings: The Fourier transform model

    NASA Astrophysics Data System (ADS)

    Cano, F. H.; Foces-Foces, C.

    A representation of the puckered conformations of seven-membered rings, using the Fourier Fourier Transform model and derived from the torsion angles, is presented in terms of two puckering amplitudes and their corresponding puckering phases. These four parameters are used to describe the main conformational types and to study the planarity of the rings, symmetrical forms, pseudorotation pathways and symmetrical interconversions through the puckering levels. This analysis provides a criterion for characterizing the basic conformations which have already been established by earlier work. A comparison with previous models is also given and the representation applied to some 1,4-benzodiazepine compounds.

  14. Hard X-Ray Fourier Transform Holography with Zone Plates

    SciTech Connect

    Watanabe, Norio; Yokosuka, Hiroki; Ohigashi, Takuji; Aoki, Sadao; Takano, Hidekazu; Takeuchi, Akihisa; Suzuki, Yoshio

    2004-05-12

    Using two zone plates, a hard x-ray lens-less Fourier transform holographic microscope with cone-beam illumination was investigated at SPring-8 BL20XU. One zone plate was placed on the optical axis, and another zone plate was placed 16 mm downstream and 9 {mu}m off the optical axis. The diverging x-rays from the focus of the upstream zone plate illuminated a specimen where the focus of the downstream zone plate was placed. A hologram of a copper mesh of 12.7 {mu}m pitch could be obtained. The intensity and the phase could be successfully reconstructed with sub-micron resolution.

  15. Fourier transform vibrational circular dichroism of small pharmaceutical molecules

    NASA Astrophysics Data System (ADS)

    Long, Fujin; Freedman, Teresa B.; Nafie, Laurence A.

    1998-06-01

    Fourier transform vibrational circular dichroism (FT-VCD) spectra of the small pharmaceutical molecules propanolol, ibuprofen and naproxen have been measured in the hydrogen stretching and mid-infrared regions to obtain information on solution conformation and to identify markers for absolute configuration determination. Ab initio molecular orbital calculations of low energy conformations, vibrational frequencies and VCD intensities for fragments of the drugs were utilized in interpreting the spectra. Features characteristic of five conformers of propranolol were identified. The weak positive CH stretching VCD signal in ibuprofen and naproxen is characteristic of the S-configuration of the chiral center common to these two analgesics.

  16. A VLSI architecture for simplified arithmetic Fourier transform algorithm

    NASA Technical Reports Server (NTRS)

    Reed, Irving S.; Shih, Ming-Tang; Truong, T. K.; Hendon, E.; Tufts, D. W.

    1992-01-01

    The arithmetic Fourier transform (AFT) is a number-theoretic approach to Fourier analysis which has been shown to perform competitively with the classical FFT in terms of accuracy, complexity, and speed. Theorems developed in a previous paper for the AFT algorithm are used here to derive the original AFT algorithm which Bruns found in 1903. This is shown to yield an algorithm of less complexity and of improved performance over certain recent AFT algorithms. A VLSI architecture is suggested for this simplified AFT algorithm. This architecture uses a butterfly structure which reduces the number of additions by 25 percent of that used in the direct method.

  17. The Discrete Fourier Transform on hexagonal remote sensing image

    NASA Astrophysics Data System (ADS)

    Li, Yalu; Ben, Jin; Wang, Rui; Du, Lingyu

    2016-11-01

    Global discrete grid system will subdivide the earth recursively to form a multi-resolution grid hierarchy with no Overlap and seamless which help build global uniform spatial reference datum and multi-source data processing mode which takes the position as the object and in the aspect of data structure supports the organization, process and analysis of the remote sensing big data. This paper adopts the base transform to realize the mutual transformation of square pixel and hexagonal pixel. This paper designs the corresponding discrete Fourier transform algorithm for any lattice. Finally, the paper show the result of the DFT of the remote sensing image of the hexagonal pixel.

  18. A VLSI architecture for simplified arithmetic Fourier transform algorithm

    NASA Technical Reports Server (NTRS)

    Reed, Irving S.; Shih, Ming-Tang; Truong, T. K.; Hendon, E.; Tufts, D. W.

    1992-01-01

    The arithmetic Fourier transform (AFT) is a number-theoretic approach to Fourier analysis which has been shown to perform competitively with the classical FFT in terms of accuracy, complexity, and speed. Theorems developed in a previous paper for the AFT algorithm are used here to derive the original AFT algorithm which Bruns found in 1903. This is shown to yield an algorithm of less complexity and of improved performance over certain recent AFT algorithms. A VLSI architecture is suggested for this simplified AFT algorithm. This architecture uses a butterfly structure which reduces the number of additions by 25 percent of that used in the direct method.

  19. Double passing the Kitt Peak 1-m Fourier transform spectrometer

    NASA Technical Reports Server (NTRS)

    Jennings, D. E.; Hubbard, R.; Brault, J. W.

    1985-01-01

    Attention is given to a simple technique for performing the conversion of the Kitt Peak 1-m Fourier transform spectrometer's dual input/output optical configuration to a double pass configuration that improves spectral resolution by a factor of 2. The modification is made by placing a flat mirror in the output beam from each cat's eye, retroreflecting the beams back through the cat's eyes to the first beam splitter. A single detector is placed at the second input port, which then becomes the instrument's output.

  20. Ultrafast Fourier Transform with a Femtosecond-Laser-Driven Molecule

    NASA Astrophysics Data System (ADS)

    Hosaka, Kouichi; Shimada, Hiroyuki; Chiba, Hisashi; Katsuki, Hiroyuki; Teranishi, Yoshiaki; Ohtsuki, Yukiyoshi; Ohmori, Kenji

    2010-05-01

    Wave functions of electrically neutral systems can be used as information carriers to replace real charges in the present Si-based circuit, whose further integration will result in a possible disaster where current leakage is unavoidable with insulators thinned to atomic levels. We have experimentally demonstrated a new logic gate based on the temporal evolution of a wave function. An optically tailored vibrational wave packet in the iodine molecule implements four- and eight-element discrete Fourier transform with arbitrary real and imaginary inputs. The evolution time is 145 fs, which is shorter than the typical clock period of the current fastest Si-based computers by 3 orders of magnitudes.

  1. Ultrafast Fourier transform with a femtosecond-laser-driven molecule.

    PubMed

    Hosaka, Kouichi; Shimada, Hiroyuki; Chiba, Hisashi; Katsuki, Hiroyuki; Teranishi, Yoshiaki; Ohtsuki, Yukiyoshi; Ohmori, Kenji

    2010-05-07

    Wave functions of electrically neutral systems can be used as information carriers to replace real charges in the present Si-based circuit, whose further integration will result in a possible disaster where current leakage is unavoidable with insulators thinned to atomic levels. We have experimentally demonstrated a new logic gate based on the temporal evolution of a wave function. An optically tailored vibrational wave packet in the iodine molecule implements four- and eight-element discrete Fourier transform with arbitrary real and imaginary inputs. The evolution time is 145 fs, which is shorter than the typical clock period of the current fastest Si-based computers by 3 orders of magnitudes.

  2. Two-dimensional Fourier transform of scaled Dirac delta curves

    NASA Astrophysics Data System (ADS)

    Guizar-Sicairos, Manuel; Gutiérrez-Vega, Julio C.

    2004-09-01

    We obtain a Fourier transform scaling relation to find analytically, numerically, or experimentally the spectrum of an arbitrary scaled two-dimensional Dirac delta curve from the spectrum of the nonscaled curve. An amplitude factor is derived and given explicitly in terms of the scaling factors and the angle of the forward tangent at each point of the curve about the positive x axis. With the scaling relation we determine the spectrum of an elliptic curve by a circular geometry instead of an elliptical one. The generalization to N-dimensional Dirac delta curves is also included.

  3. Parallel image registration method for snapshot Fourier transform imaging spectroscopy

    NASA Astrophysics Data System (ADS)

    Zhang, Yu; Zhu, Shuaishuai; Lin, Jie; Zhu, Feijia; Jin, Peng

    2017-08-01

    A fast and precise registration method for multi-image snapshot Fourier transform imaging spectroscopy is proposed. This method accomplishes registration of an image array using the positional relationship between homologous points in the subimages, which are obtained offline by preregistration. Through the preregistration process, the registration problem is converted to the problem of using a registration matrix to interpolate subimages. Therefore, the hardware interpolation of graphics processing unit (GPU) texture memory, which has speed advantages for its parallel computing, can be used to significantly enhance computational efficiency. Compared to a central processing unit, GPU performance showed ˜27 times acceleration in registration efficiency.

  4. Fourier-transform Raman spectroscopic study of human hair

    NASA Astrophysics Data System (ADS)

    Akhtar, W.; Edwards, H. G. M.; Farwell, D. W.; Nutbrown, M.

    1997-07-01

    Fourier-transform Raman microscopic spectra of normal, untreated and bleached hair fibres are presented. Vibrational assignments are made and differences are ascribed to the production of cysteic acid from cysteine. Changes in conformation associated with the disulphide bond in the keratotic component are noted from the ν(CSSC) vibrational modes at wave numbers near 500 cm -1. Raman spectra of hair root ends have also been investigated with a diminution in cysteine content being observed. Application of the technique to the biomedical investigation of healthy and diseased hair is proposed.

  5. Fourier transform light scattering angular spectroscopy using digital inline holography.

    PubMed

    Kim, Kyoohyun; Park, YongKeun

    2012-10-01

    A simple and practical method for measuring the angle-resolved light scattering (ARLS) from individual objects is reported. Employing the principle of inline holography and a Fourier transform light scattering technique, both the static and dynamic scattering patterns from individual micrometer-sized objects can be effectively and quantitatively obtained. First, the light scattering measurements were performed on individual polystyrene beads, from which the refractive index and diameter of each bead were retrieved. Also, the measurements of the static and dynamic light scattering from intact human red blood cells are demonstrated. Using the present method, an existing microscope can be directly transformed into a precise instrument for ARLS measurements.

  6. A high-resolution Fourier-transform infrared spectrometer.

    NASA Technical Reports Server (NTRS)

    Johnson, H. L.; Forbes, F. F.; Thompson, R. I.; Steinmetz , D. L.; Harris, O.

    1973-01-01

    We have developed a Fourier-transform infrared spectrometer having a resolution of 0.5/cm over the range of wavelength from 1 to 5.5 microns. It has been used to observe the sun over this wavelength range from a Lear Jet flying at an altitude of 14 km, and to observe a number of stars from the ground, using the 229-cm telescope of the Steward Observatory and the 152-cm aluminum-mirror telescope at the Observatorio Astronomico Nacional in the Sierra de San Pedro Martir, Baja California, Mexico. The solar spectrum is given here, while the ground-based spectra are being published separately.

  7. Chirped-Pulse Fourier Transform Microwave Spectroscopy of 3-VINYLBENZALDEHYDE

    NASA Astrophysics Data System (ADS)

    Smith, Miranda; Brown, Gordon G.

    2013-06-01

    The pure rotational spectrum of 3-vinylbenzaldehyde (3VBA) has been measured and assigned. Coker College's chirped-pulse Fourier transform microwave (CP-FTMW) spectrometer was used to measure the rotational spectrum of 3VBA in the 7.5 - 18.5 GHz region of the microwave spectrum. The results have been analyzed to discover the rotational constants and centrifugal distortion constants of four distinct conformations of 3VBA: cis,cis-, cis,trans-, trans,cis-, and trans,trans-3VBA. The experimental rotational constants have been compared to the results of ab initio calculations. The performance of Coker's CP-FTMW spectrometer will also be discussed.

  8. Hyperspectral imaging using the single-pixel Fourier transform technique

    PubMed Central

    Jin, Senlin; Hui, Wangwei; Wang, Yunlong; Huang, Kaicheng; Shi, Qiushuai; Ying, Cuifeng; Liu, Dongqi; Ye, Qing; Zhou, Wenyuan; Tian, Jianguo

    2017-01-01

    Hyperspectral imaging technology is playing an increasingly important role in the fields of food analysis, medicine and biotechnology. To improve the speed of operation and increase the light throughput in a compact equipment structure, a Fourier transform hyperspectral imaging system based on a single-pixel technique is proposed in this study. Compared with current imaging spectrometry approaches, the proposed system has a wider spectral range (400–1100 nm), a better spectral resolution (1 nm) and requires fewer measurement data (a sample rate of 6.25%). The performance of this system was verified by its application to the non-destructive testing of potatoes. PMID:28338100

  9. SCUBA-2 Fourier transform spectrometer (FTS-2) commissioning results

    NASA Astrophysics Data System (ADS)

    Gom, Brad G.; Naylor, David A.; Friberg, Per; Bell, Graham S.; Bintley, Daniel; Abdelazim, Sherif; Sherwood, Matt

    2014-07-01

    We present the latest commissioning results and instrument performance for the SCUBA-2 imaging Fourier Transform Spectrometer (FTS-2) installed at the James Clerk Maxwell Telescope (JCMT). This ancillary instrument provides intermediate spectral resolution (R ~10 to 5000) across both the 450 and 850 μm atmospheric transmission windows with a FOV of ~5 arcmin2. The superconducting TES sensors and SQUID readout of SCUBA-2 present unique challenges for operation of an FTS; the sensitivity requirements demand high detector linearity and stability in addition to control of systematic atmospheric and optical spillover effects. We discuss the challenges encountered during commissioning and ongoing efforts to mitigate their effects.

  10. Discrete Fourier Transform in a Complex Vector Space

    NASA Technical Reports Server (NTRS)

    Dean, Bruce H. (Inventor)

    2015-01-01

    An image-based phase retrieval technique has been developed that can be used on board a space based iterative transformation system. Image-based wavefront sensing is computationally demanding due to the floating-point nature of the process. The discrete Fourier transform (DFT) calculation is presented in "diagonal" form. By diagonal we mean that a transformation of basis is introduced by an application of the similarity transform of linear algebra. The current method exploits the diagonal structure of the DFT in a special way, particularly when parts of the calculation do not have to be repeated at each iteration to converge to an acceptable solution in order to focus an image.

  11. Particle field holography data reduction by Fourier transform analysis

    NASA Technical Reports Server (NTRS)

    Hess, Cecil F.; Trolinger, James D.

    1987-01-01

    The size distribution of a particle field hologram is obtained with a Fourier transformation of the Fraunhofer diffraction pattern of the reconstructed hologram. Off-axis absorption holograms of particle fields with known characteristics were obtained and analyzed with a commercially available instrument. The mean particle size of the reconstructed hologram was measured with an error of + or - 5 percent, while the distribution broadening was estimated within + or - 15 percent. Small sections of a pulsed laser hologram of a synthetic fuel spray were analyzed with this method thus yielding a spatially resolved size distribution. The method yields fast and accurate automated analysis of particle field holograms.

  12. Tests of a compact static Fourier-transform imaging spectropolarimeter.

    PubMed

    Li, Jie; Gao, Bo; Qi, Chun; Zhu, Jingping; Hou, Xun

    2014-06-02

    A compact Fourier-transform imaging spectropolarimeter covering a 450-1000 nm spectral range is presented. The sensor, which is based on two birefringent retarders and a Wollaston interferometer, offers significant advantages over previous implementations. Specifically, with no internal moving parts, electrically controllable or micro polarization components, the full wavelength-dependent state of polarization, spectral and spatial information of a scene can be acquired simultaneously. Outdoor measurements of several cars and plants demonstrate the sensor's potential for color measurement, target identification, and agriculture monitoring applications.

  13. Transfer Function Identification Using Orthogonal Fourier Transform Modeling Functions

    NASA Technical Reports Server (NTRS)

    Morelli, Eugene A.

    2013-01-01

    A method for transfer function identification, including both model structure determination and parameter estimation, was developed and demonstrated. The approach uses orthogonal modeling functions generated from frequency domain data obtained by Fourier transformation of time series data. The method was applied to simulation data to identify continuous-time transfer function models and unsteady aerodynamic models. Model fit error, estimated model parameters, and the associated uncertainties were used to show the effectiveness of the method for identifying accurate transfer function models from noisy data.

  14. Optical fiber interferometer array for scanless Fourier-transform spectroscopy.

    PubMed

    Velasco, Aitor V; Cheben, Pavel; Florjańczyk, Mirosław; Schmid, Jens H; Bock, Przemek J; Lapointe, Jean; Delâge, André; Janz, Siegfried; Vachon, Martin; Calvo, María L; Xu, Dan-Xia; Civiš, Svatopluk

    2013-07-01

    We report a spatial heterodyne Fourier-transform spectrometer implemented with an array of optical fiber interferometers. This configuration generates a wavelength-dependent stationary interferogram from which the input spectrum is retrieved in a single shot without scanning elements. Furthermore, fabrication and experimental deviations from the ideal behavior of the device are corrected by spectral inversion algorithms. The spectral resolution of our system can be readily scaled up by incorporating longer optical fiber delays, providing a pathway toward surpassing current spectroscopy resolution limits.

  15. Fractional Fourier transforms, symmetrical lens systems, and their cardinal planes.

    PubMed

    Moreno, Ignacio; Sánchez-López, María M; Ferreira, Carlos; Mateos, Felipe

    2007-07-01

    We study the relation between optical lens systems that perform a fractional Fourier transform (FRFT) with the geometrical cardinal planes. We demonstrate that lens systems symmetrical with respect to the central plane provide an exact FRFT link between the input and output planes. Moreover, we show that the fractional order of the transform has real values between 0 and 2 when light propagation is produced between principal planes and antiprincipal planes, respectively. Finally, we use this new point of view to design an optical lens system that provides FRFTs with variable fractional order in the range (0,2) without moving the input and output planes.

  16. Fourier transform approach in modulation technique of experimental measurements.

    PubMed

    Khazimullin, M V; Lebedev, Yu A

    2010-04-01

    An application of Fourier transform approach in modulation technique of experimental studies is considered. This method has obvious advantages compared with traditional lock-in amplifiers technique--simple experimental setup, a quickly available information on all the required harmonics, high speed of data processing using fast Fourier transform algorithm. A computationally simple, fast and accurate Fourier coefficients interpolation (FCI) method has been implemented to obtain a useful information from harmonics of a multimode signal. Our analysis shows that in this case FCI method has a systematical error (bias) of a signal parameters estimation, which became essential for the short data sets. Hence, a new differential Fourier coefficients interpolation (DFCI) method has been suggested, which is less sensitive to a presence of several modes in a signal. The analysis has been confirmed by simulations and measurements of a quartz wedge birefringence by means of the photoelastic modulator. The obtained bias, noise level, and measuring speed are comparable and even better than in lock-in amplifier technique. Moreover, presented DFCI method is expected to be promised candidate for using in actively developing imaging systems based on the modulation technique requiring fast digital signal processing of large data sets.

  17. Two-Dimensional Fourier Transform Analysis of Helicopter Flyover Noise

    NASA Technical Reports Server (NTRS)

    SantaMaria, Odilyn L.; Farassat, F.; Morris, Philip J.

    1999-01-01

    A method to separate main rotor and tail rotor noise from a helicopter in flight is explored. Being the sum of two periodic signals of disproportionate, or incommensurate frequencies, helicopter noise is neither periodic nor stationary. The single Fourier transform divides signal energy into frequency bins of equal size. Incommensurate frequencies are therefore not adequately represented by any one chosen data block size. A two-dimensional Fourier analysis method is used to separate main rotor and tail rotor noise. The two-dimensional spectral analysis method is first applied to simulated signals. This initial analysis gives an idea of the characteristics of the two-dimensional autocorrelations and spectra. Data from a helicopter flight test is analyzed in two dimensions. The test aircraft are a Boeing MD902 Explorer (no tail rotor) and a Sikorsky S-76 (4-bladed tail rotor). The results show that the main rotor and tail rotor signals can indeed be separated in the two-dimensional Fourier transform spectrum. The separation occurs along the diagonals associated with the frequencies of interest. These diagonals are individual spectra containing only information related to one particular frequency.

  18. Two-Dimensional Fourier Transform Applied to Helicopter Flyover Noise

    NASA Technical Reports Server (NTRS)

    Santa Maria, Odilyn L.

    1999-01-01

    A method to separate main rotor and tail rotor noise from a helicopter in flight is explored. Being the sum of two periodic signals of disproportionate, or incommensurate frequencies, helicopter noise is neither periodic nor stationary, but possibly harmonizable. The single Fourier transform divides signal energy into frequency bins of equal size. Incommensurate frequencies are therefore not adequately represented by any one chosen data block size. A two-dimensional Fourier analysis method is used to show helicopter noise as harmonizable. The two-dimensional spectral analysis method is first applied to simulated signals. This initial analysis gives an idea of the characteristics of the two-dimensional autocorrelations and spectra. Data from a helicopter flight test is analyzed in two dimensions. The test aircraft are a Boeing MD902 Explorer (no tail rotor) and a Sikorsky S-76 (4-bladed tail rotor). The results show that the main rotor and tail rotor signals can indeed be separated in the two-dimensional Fourier transform spectrum. The separation occurs along the diagonals associated with the frequencies of interest. These diagonals are individual spectra containing only information related to one particular frequency.

  19. Fourier-Transform Ghost Imaging with Hard X Rays

    NASA Astrophysics Data System (ADS)

    Yu, Hong; Lu, Ronghua; Han, Shensheng; Xie, Honglan; Du, Guohao; Xiao, Tiqiao; Zhu, Daming

    2016-09-01

    Knowledge gained through x-ray crystallography fostered structural determination of materials and greatly facilitated the development of modern science and technology in the past century. However, it is only applied to crystalline structures and cannot resolve noncrystalline materials. Here we demonstrate a novel lensless Fourier-transform ghost imaging method with pseudothermal hard x rays that extends x-ray crystallography to noncrystalline samples. By measuring the second-order intensity correlation function of the light, Fourier-transform diffraction pattern of a complex amplitude sample is achieved at the Fresnel region in our experiment and the amplitude and phase distributions of the sample in the spatial domain are retrieved successfully. For the first time, ghost imaging is experimentally realized with x rays. Since a highly coherent x-ray source is not required, the method can be implemented with laboratory x-ray sources and it also provides a potential solution for lensless diffraction imaging with fermions, such as neutrons and electrons where intensive coherent sources usually are not available.

  20. The Geosynchronous Imaging Fourier Transform Spectrometer (GIFTS): noise performance

    NASA Astrophysics Data System (ADS)

    Taylor, Joe K.; Revercomb, Henry E.; Tobin, David C.; Best, Fred A.; Knuteson, Robert O.; Elwell, John D.; Cantwell, Gregory W.; Scott, Deron K.; Bingham, Gail E.; Smith, William L.; Zhou, Daniel K.; Reisse, Robert A.

    2006-12-01

    The NASA New Millennium Program (NMP) Geosynchronous Imaging Fourier Transform Spectrometer (GIFTS) instrument was designed to demonstrate new and emerging technologies and provide immense improvements in satellite based remote sensing of the atmosphere from a geostationary orbit [1]. Combining a Fourier Transform Spectrometer (FTS) and Large Area Focal Plane Arrays, GIFTS measures incident infrared radiance with an extraordinary combination of spectral, temporal, and spatial resolution and coverage. Thermal vacuum testing of the GIFTS Engineering Development Unit (EDU) was performed at the Space Dynamics Laboratory and completed in May 2006 [2,3]. The GIFTS noise performance measured during EDU thermal vacuum testing indicates that threshold performance has been realized, and that goal performance (or better) has been achieved over much of both the Longwave Infrared (LWIR) and Short/Midwave Infrared (SMWIR) detector bands. An organizational structure for the division of the noise sources and effects for the GIFTS instrument is presented. To comprehensively characterize and predict the effects of measurement noise on expected instrument performance, the noise sources are categorically divided and a method of combining the independent effects is defined. Within this architecture, the total noise is principally decomposed into spectrally correlated noise and random (spectrally uncorrelated) noise. The characterization of the spectrally correlated noise sources specified within the structure is presented in detail.

  1. Precision Fourier Transform Spectroscopy with Femtosecond Frequency Combs

    NASA Astrophysics Data System (ADS)

    Jacquet, P.; Mandon, J.; Guelachvili, G.; Picqué, N.; Bernhardt, B.; Holzwarth, R.; Hänsch, T. W.

    2009-06-01

    Fourier transform spectrometers play a crucial and intensive role in molecular spectroscopy. However, these instruments, most often based on Michelson interferometers, are presently unable to address some of the new challenges associated with fundamental experiments or optical diagnostic. In recent years, femtosecond frequency combs, which are new laser sources exhibiting an optical spectrum made of very sharp and uniformly spaced lines, have revolutionized the field of frequency metrology. They lead also to the implementation of a new kind of Fourier interferometers, where two frequency combs with slightly different repetition rates beat with each other. These spectrometers may bring remarkable characteristics, amongst which extremely short measurement time. We report on the implementation of an original and simple set-up for frequency comb Fourier transform spectroscopy, which reaches the unprecedented resolution of 1 kHz within 6 s recording time. Moving mirror of equivalent Michelson interferometers should cover 130 km path-difference excursion at 10 km.s^{-1} velocity. We also record simultaneously Doppler-limited dispersion and absorption spectra within a few tens of microseconds. The comb structure of the light source provides self-calibration of the wavenumber scale. Precision spectroscopy of the overtone spectrum of acetylene, in the 1.5 μm range, is reported as a first demonstration.

  2. [Using Fourier transform to analyse differential optical absorption spectrum].

    PubMed

    Liu, Qian-Lin; Wang, Li-Shi; Huang, Xin-Jian

    2008-05-01

    According to the theory of differential optical absorption spectral technique, the differential optical absorption spectral monitoring equipment was designed. Aiming at two kinds of main pollutants, SO2 and NO2, in the atmosphere, this technique was used to monitor them. The present article puts forward the signal analysis method of Fourier transformation to process the above-mentioned two kinds of absorption spectra. The two approaches contain the removeal of noise and the fitting of the slow variety. On the frequency chart after the spectrum was transformed, the low frequency corresponded to the slow variety part and the high frequency corresponded to the noise part of the original spectrum, so through intercepting a certain frequency segment and using inverse Fourier transformation the slow variety part of the low frequency and the noise part of the high frequency of the absorption spectrum could be subtracted. After farther processing we can get a higher resolution differential absorption spectrum of the gas. According to the strength of the spectrum, we can calculate the concentration of the gas. After analysis and comparison with the conventional method, it is considered a new processing method of differential optical absorption spectral technique, and the method can fit the slow variety much better.

  3. Phase-Constrained Spectrum Deconvolution for Fourier Transform Mass Spectrometry.

    PubMed

    Grinfeld, Dmitry; Aizikov, Konstantin; Kreutzmann, Arne; Damoc, Eugen; Makarov, Alexander

    2017-01-17

    This Article introduces a new computationally efficient noise-tolerant signal processing method, referred to as phased spectrum deconvolution method (ΦSDM), designed for Fourier transform mass spectrometry (FT MS). ΦSDM produces interference-free mass spectra with resolution beyond the Fourier transform (FT) uncertainty limit. With a presumption that the oscillation phases are preserved, the method deconvolves an observed FT spectrum into a distribution of harmonic components bound to a fixed frequency grid, which is several times finer than that of FT. The approach shows stability under noisy conditions, and the noise levels in the resulting spectra are lower than those of the original FT spectra. Although requiring more computational power than standard FT algorithms, ΦSDM runs in a quasilinear time. The method was tested on both synthetic and experimental data, and consistently demonstrated performance superior to the FT-based methodologies, be it across the entire mass range or on a selected mass window of interest. ΦSDM promises substantial improvements in the spectral quality and the speed of FT MS instruments. It might also be beneficial for other spectroscopy approaches which require harmonic analysis for data processing.

  4. Progress report of a static Fourier transform spectrometer breadboard

    NASA Astrophysics Data System (ADS)

    Rosak, A.; Tintó, F.

    2004-06-01

    MOLI instrument - for MOtionLess Interferometer - takes advantage of the new concept of static Fourier transform spectrometer. It is a high-resolution spectrometer working over a narrow bandwidth, which is adapted to a wide range of atmospheric sounding missions and compatible with micro-satellite platform. The core of this instrument is an echelette cube. Mirrors on the classical design are replaced by stepped mirrors - integrated into that interference cube - thus suppressing any moving part. The steps' directions being set over a perpendicular axis, the overlap of both stepped mirrors creates a cluster of so-called "echelettes", each one corresponding to a different optical path difference (OPD). Hence the Fourier transform of the incoming radiance is directly imaged on a CCD array in a single acquisition. The frequency domain of the measurements is selected by an interferential filter disposed on the incoming optical path. A rotating wheel equipped with several filters allows the successive measurement of spectra around some bands of interest, i.e. O2, CO2 and CO absorption bands.

  5. Soft x-ray microscope using Fourier transform holography

    SciTech Connect

    McNulty, I.; Kirz, J.; Jacobsen, C.; Anderson, E.; Howells, M.R.; Rarback, H. . Dept. of Physics; Lawrence Berkeley Lab., CA; Brookhaven National Lab., Upton, NY )

    1989-01-01

    A Fourier transform holographic microscope with an anticipated resolution of better than 100 nm has been built. Extensive testing of the apparatus has begun. Preliminary results include the recording of interference fringes using 3.6 nm x-rays. The microscope employs a charge-coupled device (CCD) detector array of 576 {times} 384 elements. The system is illuminated by soft x-rays from a high brightness undulator. The reference point source is formed by a Fresnel zone plate with a finest outer zone width of 50 nm. Sufficient temporal coherence for hologram formation is obtained by a spherical grating monochromator. The x-ray hologram intensities at the recording plane are to be collected, digitized and reconstructed by computer. Data acquisition is under CAMAC control, while image display and off-line processing takes place on a VAX graphics workstation. Computational models of Fourier transform hologram synthesis, and reconstruction in the presence of noise, have demonstrated the feasibility of numerical methods in two dimensions, and that three-dimensional information is potentially recoverable. 13 refs., 3 figs.

  6. Chiral Analysis of Isopulegol by Fourier Transform Molecular Rotational Spectroscopy

    NASA Astrophysics Data System (ADS)

    Evangelisti, Luca; Seifert, Nathan A.; Spada, Lorenzo; Pate, Brooks

    2016-06-01

    Chiral analysis on molecules with multiple chiral centers can be performed using pulsed-jet Fourier transform rotational spectroscopy. This analysis includes quantitative measurement of diastereomer products and, with the three wave mixing methods developed by Patterson, Schnell, and Doyle (Nature 497, 475-477 (2013)), quantitative determination of the enantiomeric excess of each diastereomer. The high resolution features enable to perform the analysis directly on complex samples without the need for chromatographic separation. Isopulegol has been chosen to show the capabilities of Fourier transform rotational spectroscopy for chiral analysis. Broadband rotational spectroscopy produces spectra with signal-to-noise ratio exceeding 1000:1. The ability to identify low-abundance (0.1-1%) diastereomers in the sample will be described. Methods to rapidly identify rotational spectra from isotopologues at natural abundance will be shown and the molecular structures obtained from this analysis will be compared to theory. The role that quantum chemistry calculations play in identifying structural minima and estimating their spectroscopic properties to aid spectral analysis will be described. Finally, the implementation of three wave mixing techniques to measure the enantiomeric excess of each diastereomer and determine the absolute configuration of the enantiomer in excess will be described.

  7. Fourier-Transform Ghost Imaging with Hard X Rays.

    PubMed

    Yu, Hong; Lu, Ronghua; Han, Shensheng; Xie, Honglan; Du, Guohao; Xiao, Tiqiao; Zhu, Daming

    2016-09-09

    Knowledge gained through x-ray crystallography fostered structural determination of materials and greatly facilitated the development of modern science and technology in the past century. However, it is only applied to crystalline structures and cannot resolve noncrystalline materials. Here we demonstrate a novel lensless Fourier-transform ghost imaging method with pseudothermal hard x rays that extends x-ray crystallography to noncrystalline samples. By measuring the second-order intensity correlation function of the light, Fourier-transform diffraction pattern of a complex amplitude sample is achieved at the Fresnel region in our experiment and the amplitude and phase distributions of the sample in the spatial domain are retrieved successfully. For the first time, ghost imaging is experimentally realized with x rays. Since a highly coherent x-ray source is not required, the method can be implemented with laboratory x-ray sources and it also provides a potential solution for lensless diffraction imaging with fermions, such as neutrons and electrons where intensive coherent sources usually are not available.

  8. Two-Dimensional Fourier Transform Analysis of Helicopter Flyover Noise

    NASA Technical Reports Server (NTRS)

    SantaMaria, Odilyn L.; Farassat, F.; Morris, Philip J.

    1999-01-01

    A method to separate main rotor and tail rotor noise from a helicopter in flight is explored. Being the sum of two periodic signals of disproportionate, or incommensurate frequencies, helicopter noise is neither periodic nor stationary. The single Fourier transform divides signal energy into frequency bins of equal size. Incommensurate frequencies are therefore not adequately represented by any one chosen data block size. A two-dimensional Fourier analysis method is used to separate main rotor and tail rotor noise. The two-dimensional spectral analysis method is first applied to simulated signals. This initial analysis gives an idea of the characteristics of the two-dimensional autocorrelations and spectra. Data from a helicopter flight test is analyzed in two dimensions. The test aircraft are a Boeing MD902 Explorer (no tail rotor) and a Sikorsky S-76 (4-bladed tail rotor). The results show that the main rotor and tail rotor signals can indeed be separated in the two-dimensional Fourier transform spectrum. The separation occurs along the diagonals associated with the frequencies of interest. These diagonals are individual spectra containing only information related to one particular frequency.

  9. Ultrafast and versatile spectroscopy by temporal Fourier transform

    PubMed Central

    Zhang, Chi; Wei, Xiaoming; Marhic, Michel E.; Wong, Kenneth K. Y.

    2014-01-01

    One of the most remarkable and useful properties of a spatially converging lens system is its inherent ability to perform the Fourier transform; the same applies for the time-lens system. At the back focal plane of the time-lens, the spectral information can be instantaneously obtained in the time axis. By implementing temporal Fourier transform for spectroscopy applications, this time-lens-based architecture can provide orders of magnitude improvement over the state-of-art spatial-dispersion-based spectroscopy in terms of the frame rate. On the other hand, in addition to the single-lens structure, the multi-lens structures (e.g. telescope or wide-angle scope) will provide very versatile operating conditions. Leveraging the merit of instantaneous response, as well as the flexible lens structure, here we present a 100-MHz frame rate spectroscopy system – the parametric spectro-temporal analyzer (PASTA), which achieves 17 times zoom in/out ratio for different observation ranges. PMID:24939667

  10. Image encryption techniques based on the fractional Fourier transform

    NASA Astrophysics Data System (ADS)

    Hennelly, B. M.; Sheridan, J. T.

    2003-11-01

    The fractional Fourier transform, (FRT), is a generalisation of the Fourier transform which allows domains of mixed spatial frequency and spatial information to be examined. A number of method have recently been proposed in the literature for the encryption of two dimensional information using optical systems based on the FRT. Typically, these methods require random phase screen keys to decrypt the data, which must be stored at the receiver and must be carefully aligned with the received encrypted data. We have proposed a new technique based on a random shifting or Jigsaw transformation. This method does not require the use of phase keys. The image is encrypted by juxtaposition of sections of the image in various FRT domains. The new method has been compared numerically with existing methods and shows comparable or superior robustness to blind decryption. An optical implementation is also proposed and the sensitivity of the various encryption keys to blind decryption is quantified. We also present a second image encryption technique, which is based on a recently proposed method of optical phase retrieval using the optical FRT and one of its discrete counterparts. Numerical simulations of the new algorithm indicates that the sensitivity of the keys is much greater than any of the techniques currently available. In fact the sensitivity appears to be so high that optical implementation, based on existing optical signal processing technology, may be impossible. However, the technique has been shown to be a powerful method of 2-D image data encryption.

  11. Wavelets for approximate Fourier transform and data compression

    NASA Astrophysics Data System (ADS)

    Guo, Haitao

    This dissertation has two parts. In the first part, we develop a wavelet-based fast approximate Fourier transform algorithm. The second part is devoted to the developments of several wavelet-based data compression techniques for image and seismic data. We propose an algorithm that uses the discrete wavelet transform (DWT) as a tool to compute the discrete Fourier transform (DFT). The classical Cooley-Tukey FFT is shown to be a special case of the proposed algorithm when the wavelets in use are trivial. The main advantage of our algorithm is that the good time and frequency localization of wavelets can be exploited to approximate the Fourier transform for many classes of signals, resulting in much less computation. Thus the new algorithm provides an efficient complexity versus accuracy tradeoff. When approximations are allowed, under certain sparsity conditions, the algorithm can achieve linear complexity, i.e. O(N). The proposed algorithm also has built-in noise reduction capability. For waveform and image compression, we propose a novel scheme using the recently developed Burrows-Wheeler transform (BWT). We show that the discrete wavelet transform (DWT) should be used before the Burrows-Wheeler transform to improve the compression performance for many natural signals and images. We demonstrate that the simple concatenation of the DWT and BWT coding performs comparably as the embedded zerotree wavelet (EZW) compression for images. Various techniques that significantly improve the performance of our compression scheme are also discussed. The phase information is crucial for seismic data processing. However, traditional compression schemes do not pay special attention to preserving the phase of the seismic data, resulting in the loss of critical information. We propose a lossy compression method that preserves the phase as much as possible. The method is based on the self-adjusting wavelet transform that adapts to the locations of the significant signal components

  12. Cryogenic molecular separation system for radioactive (11)C ion acceleration.

    PubMed

    Katagiri, K; Noda, A; Suzuki, K; Nagatsu, K; Boytsov, A Yu; Donets, D E; Donets, E D; Donets, E E; Ramzdorf, A Yu; Nakao, M; Hojo, S; Wakui, T; Noda, K

    2015-12-01

    A (11)C molecular production/separation system (CMPS) has been developed as part of an isotope separation on line system for simultaneous positron emission tomography imaging and heavy-ion cancer therapy using radioactive (11)C ion beams. In the ISOL system, (11)CH4 molecules will be produced by proton irradiation and separated from residual air impurities and impurities produced during the irradiation. The CMPS includes two cryogenic traps to separate specific molecules selectively from impurities by using vapor pressure differences among the molecular species. To investigate the fundamental performance of the CMPS, we performed separation experiments with non-radioactive (12)CH4 gases, which can simulate the chemical characteristics of (11)CH4 gases. We investigated the separation of CH4 molecules from impurities, which will be present as residual gases and are expected to be difficult to separate because the vapor pressure of air molecules is close to that of CH4. We determined the collection/separation efficiencies of the CMPS for various amounts of air impurities and found desirable operating conditions for the CMPS to be used as a molecular separation device in our ISOL system.

  13. On the abstracted dataflow complexity of Fast Fourier Transforms

    SciTech Connect

    Boehm, A.P.W.; Hiromoto, R.E.; Kelly, K.A.; Ashley, J.M.

    1992-05-01

    In this paper we develop and analyze the simulated performance of codes for the Fast Fourier Transform written in If and targeted for execution on Motorola`s dataflow machine Monsoon. The FFT application is of interest because of its computational parallelism, its requirement for global communications, and its array element data dependences. We use the parallel profiling simulator Id World to study the dataflow performance of various implementations. Our approach is comparative. We study two approaches, a recursive and an iterative one, and in each version we examine the effect of a variety of implementations. We contend that only through such comparative evaluations can significant insight be gained in understanding the computational and structural details of functional algorithms.

  14. [Identification of gastrodia elata blume by Fourier transform infrared spectroscopy].

    PubMed

    Liu, Gang; Dong, Qin; Yu, Fan; Liu, Jian-hong; Sun, Shi-zhong

    2004-03-01

    In this paper, a method of rapid and undamaged identification of wild and cultivated Gastrodia elata Blume, and one of its fakes by Fourier transform infrared spectroscopy (FTIR) is reported. The results show that Gastrodia elata Blume and its fake have different characteristic infrared spectra, by which Gastrodia elata Blume can be identified from its fake. Wild winter, wild spring, and cultivated Gastrodia elata Blume can be discriminated by FTIR, according to the differences of their spectral peaks and absorbance ratios. By the differences of absorbance ratios of several peaks, different grade of Gastrodia elata Blume may be classified. FTIR has proved to be a rapid, simple and nondestructive method for the identification of Gastrodia elata Blume.

  15. Accelerating the nonequispaced fast Fourier transform on commodity graphics hardware.

    PubMed

    Sorensen, T S; Schaeffter, T; Noe, K O; Hansen, M S

    2008-04-01

    We present a fast parallel algorithm to compute the nonequispaced fast Fourier transform on commodity graphics hardware (the GPU). We focus particularly on a novel implementation of the convolution step in the transform as it was previously its most time consuming part. We describe the performance for two common sample distributions in medical imaging (radial and spiral trajectories), and for different convolution kernels as these parameters all influence the speed of the algorithm. The GPU-accelerated convolution is up to 85 times faster as our reference, the open source NFFT library on a state-of-the-art 64 bit CPU. The accuracy of the proposed GPU implementation was quantitatively evaluated at the various settings. To illustrate the applicability of the transform in medical imaging, in which it is also known as gridding, we look specifically at non-Cartesian magnetic resonance imaging and reconstruct both a numerical phantom and an in vivo cardiac image.

  16. Motion saliency detection using a temporal fourier transform

    NASA Astrophysics Data System (ADS)

    Chen, Zhe; Wang, Xin; Sun, Zhen; Wang, Zhijian

    2016-06-01

    Motion saliency detection aims at detecting the dynamic semantic regions in a video sequence. It is very important for many vision tasks. This paper proposes a new type of motion saliency detection method, Temporal Fourier Transform, for fast motion saliency detection. Different from conventional motion saliency detection methods that use complex mathematical models or features, variations in the phase spectrum of consecutive frames are identified and extracted as the key to obtaining the location of salient motion. As all the calculation is made on the temporal frequency spectrum, our model is independent of features, background models, or other forms of prior knowledge about scenes. The benefits of the proposed approach are evaluated for various videos where the number of moving objects, illumination, and background are all different. Compared with some the state of the art methods, our method achieves both good accuracy and fast computation.

  17. Optical design of the ATMOS Fourier transform spectrometer

    NASA Technical Reports Server (NTRS)

    Abel, I. R.; Reynolds, B. R.; Breckinridge, J. B.; Pritchard, J.

    1979-01-01

    The optical system design of the ATMOS Fourier transform spectrometer to be operated from Spacelab for the measurement of stratospheric trace molecules is described. The design contains features which can achieve the required fringe contrast of 80% and spectral resolution of 0.02/cm over a spectral range of 2-16 microns. In particular, the design is based on the following features which alleviate the usual requirements for alignment precision: (1) 'cat's eye' mirror configuration in the two arms of the interferometer for retroreflection stability, (2) tilt-compensated system of beamsplitter, compensator, and fold mirrors for wavefront directional stability, (3) paraboloidal 'cat's eye' primary mirror for wavefront stability against shear, (4) rotatable compensator for matching chromatic dispersion, and (5) wedged refractive components to avoid channel spectra due to the Fabry-Perot effect.

  18. Betti numbers of holomorphic symplectic quotients via arithmetic Fourier transform

    NASA Astrophysics Data System (ADS)

    Hausel, Tamás

    2006-04-01

    A Fourier transform technique is introduced for counting the number of solutions of holomorphic moment map equations over a finite field. This technique in turn gives information on Betti numbers of holomorphic symplectic quotients. As a consequence, simple unified proofs are obtained for formulas of Poincaré polynomials of toric hyperkähler varieties (recovering results of Bielawski-Dancer and Hausel-Sturmfels), Poincaré polynomials of Hilbert schemes of points and twisted Atiyah-Drinfeld-Hitchin-Manin (ADHM) spaces of instantons on 2 (recovering results of Nakajima-Yoshioka), and Poincaré polynomials of all Nakajima quiver varieties. As an application, a proof of a conjecture of Kac on the number of absolutely indecomposable representations of a quiver is announced. quiver varieties | Weyl-Kac character formula

  19. Coherent electromagnetic field imaging through Fourier transform heterodyne

    SciTech Connect

    Cooke, B.J.; Laubscher, B.E.; Olivas, N.L.; Goeller, R.M.; Cafferty, M.; Briles, S.D.; Galbraith, A.E. |; Grubler, A.C. |

    1998-12-31

    The authors present a detection process capable of directly imaging the transverse amplitude, phase, and if desired, Doppler shift of coherent electromagnetic fields. Based on coherent detection principles governing conventional heterodyned RADAR/LIDAR systems, Fourier Transform Heterodyne (FTH) incorporates transverse spatial encoding of the local oscillator for image capture. Appropriate selection of spatial encoding functions, or basis set, allows image retrieval by way of classic Fourier manipulations. Of practical interest: (1) imaging is accomplished on a single element detector requiring no additional scanning or moving components, and (2) a wide variety of appropriate spatial encoding functions exist that may be adaptively configured in real-time for applications requiring optimal detection. In this paper, they introduce the underlying principles governing FTH imaging, followed by demonstration of concept via a simple experimental setup based on a HeNe laser and a 69 element spatial phase modulator.

  20. Eliminating the picket fence effect of the fast Fourier transform

    NASA Astrophysics Data System (ADS)

    Li, Yan Feng; Chen, Kui Fu

    2008-04-01

    The canonical fast Fourier transform (FFT) is afflicted by the picket fence effect (PFE). This can be ascribed to the simplification caused by viewing non-parametrically. For a periodic signal composed of frequency well-separated tones, a complex formula for retrieving a tone's frequency can be derived in light of the parametric relationship among the FFT spectral lines around each tone's main-lobe. Compared to the modulus-based interpolated FFT, this complex spectrum-based approach is less sensitive to spectral leakage. The frequency, amplitude and phase retrieving formulas are presented for the generalized Hamming window, which is used frequently in physics but seldom mentioned in the interpolated FFT literature. Numerical simulation shows that the FPE can be eliminated efficiently by this approach.

  1. Indirect Fourier transform in the context of statistical inference.

    PubMed

    Muthig, Michael; Prévost, Sylvain; Orglmeister, Reinhold; Gradzielski, Michael

    2016-09-01

    Inferring structural information from the intensity of a small-angle scattering (SAS) experiment is an ill-posed inverse problem. Thus, the determination of a solution is in general non-trivial. In this work, the indirect Fourier transform (IFT), which determines the pair distance distribution function from the intensity and hence yields structural information, is discussed within two different statistical inference approaches, namely a frequentist one and a Bayesian one, in order to determine a solution objectively From the frequentist approach the cross-validation method is obtained as a good practical objective function for selecting an IFT solution. Moreover, modern machine learning methods are employed to suppress oscillatory behaviour of the solution, hence extracting only meaningful features of the solution. By comparing the results yielded by the different methods presented here, the reliability of the outcome can be improved and thus the approach should enable more reliable information to be deduced from SAS experiments.

  2. Wide-Field Detected Fourier Transform CARS Microscopy.

    PubMed

    Duarte, Alex Soares; Schnedermann, Christoph; Kukura, Philipp

    2016-11-24

    We present a wide-field imaging implementation of Fourier transform coherent anti-Stokes Raman scattering (wide-field detected FT-CARS) microscopy capable of acquiring high-contrast label-free but chemically specific images over the full vibrational 'fingerprint' region, suitable for a large field of view. Rapid resonant mechanical scanning of the illumination beam coupled with highly sensitive, camera-based detection of the CARS signal allows for fast and direct hyperspectral wide-field image acquisition, while minimizing sample damage. Intrinsic to FT-CARS microscopy, the ability to control the range of time-delays between pump and probe pulses allows for fine tuning of spectral resolution, bandwidth and imaging speed while maintaining full duty cycle. We outline the basic principles of wide-field detected FT-CARS microscopy and demonstrate how it can be used as a sensitive optical probe for chemically specific Raman imaging.

  3. Wide-Field Detected Fourier Transform CARS Microscopy

    NASA Astrophysics Data System (ADS)

    Duarte, Alex Soares; Schnedermann, Christoph; Kukura, Philipp

    2016-11-01

    We present a wide-field imaging implementation of Fourier transform coherent anti-Stokes Raman scattering (wide-field detected FT-CARS) microscopy capable of acquiring high-contrast label-free but chemically specific images over the full vibrational ‘fingerprint’ region, suitable for a large field of view. Rapid resonant mechanical scanning of the illumination beam coupled with highly sensitive, camera-based detection of the CARS signal allows for fast and direct hyperspectral wide-field image acquisition, while minimizing sample damage. Intrinsic to FT-CARS microscopy, the ability to control the range of time-delays between pump and probe pulses allows for fine tuning of spectral resolution, bandwidth and imaging speed while maintaining full duty cycle. We outline the basic principles of wide-field detected FT-CARS microscopy and demonstrate how it can be used as a sensitive optical probe for chemically specific Raman imaging.

  4. Identification of Amanita mushrooms by fourier transform infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Zhao, Dezhang; Liu, Gang; Song, Dingshan; Liu, Jian-hong; Zhou, Yilan; Ou, Jiaming; Sun, Shizhong

    2006-09-01

    Amanita is one of cosmopolitan genera of basidiomycetes. This genus contains some of the most poisonous toadstools, as well as several species of the most favorite edible mushrooms. In this paper, Fourier transform infrared spectroscopy was used for obtaining vibrational spectra of the fruiting bodies of wild growing Amanita mushrooms. The results show that the mushrooms exhibit characteristic spectra, whose strong absorption bands appear at about 1655, 1076, and 1040 cm -1. The vibrational spectra indicate that the main compositions of the Amanita mushrooms are proteins and polysaccharides. The observed spectral differences might be used to discriminate different species of Amanita. It is showed that FTIR spectroscopic method is a valuable tool for rapid and nondestructive identification of Amanita mushrooms.

  5. Fourier Transform Mass Spectrometry: The Transformation of Modern Environmental Analyses

    PubMed Central

    Lim, Lucy; Yan, Fangzhi; Bach, Stephen; Pihakari, Katianna; Klein, David

    2016-01-01

    Unknown compounds in environmental samples are difficult to identify using standard mass spectrometric methods. Fourier transform mass spectrometry (FTMS) has revolutionized how environmental analyses are performed. With its unsurpassed mass accuracy, high resolution and sensitivity, researchers now have a tool for difficult and complex environmental analyses. Two features of FTMS are responsible for changing the face of how complex analyses are accomplished. First is the ability to quickly and with high mass accuracy determine the presence of unknown chemical residues in samples. For years, the field has been limited by mass spectrometric methods that were based on knowing what compounds of interest were. Secondly, by utilizing the high resolution capabilities coupled with the low detection limits of FTMS, analysts also could dilute the sample sufficiently to minimize the ionization changes from varied matrices. PMID:26784175

  6. Betti numbers of holomorphic symplectic quotients via arithmetic Fourier transform

    PubMed Central

    Hausel, Tamás

    2006-01-01

    A Fourier transform technique is introduced for counting the number of solutions of holomorphic moment map equations over a finite field. This technique in turn gives information on Betti numbers of holomorphic symplectic quotients. As a consequence, simple unified proofs are obtained for formulas of Poincaré polynomials of toric hyperkähler varieties (recovering results of Bielawski–Dancer and Hausel–Sturmfels), Poincaré polynomials of Hilbert schemes of points and twisted Atiyah–Drinfeld–Hitchin–Manin (ADHM) spaces of instantons on ℂ2 (recovering results of Nakajima–Yoshioka), and Poincaré polynomials of all Nakajima quiver varieties. As an application, a proof of a conjecture of Kac on the number of absolutely indecomposable representations of a quiver is announced. PMID:16606857

  7. S-duality as a β-deformed Fourier transform

    NASA Astrophysics Data System (ADS)

    Galakhov, D.; Mironov, A.; Morozov, A.

    2012-08-01

    An attempt is made to formulate Gaiotto's S-duality relations in an explicit quantitative form. Formally the problem is that of evaluation of the Racah coefficients for the Virasoro algebra, and we approach it with the help of the matrix model representation of the AGT-related conformal blocks and Nekrasov functions. In the Seiberg-Witten limit, this S-duality reduces to the Legendre transformation. In the simplest case, its lifting to the level of Nekrasov functions is just the Fourier transform, while corrections are related to the beta-deformation. We calculate them with the help of the matrix model approach and observe that they vanish for β = 1. Explicit evaluation of the same corrections from the U q ( sl(2)) infinite-dimensional representation formulas due to B.Ponsot and J.Teshner remains an open problem.

  8. Multifunctional metasurface lens for imaging and Fourier transform

    PubMed Central

    Wen, Dandan; Yue, Fuyong; Ardron, Marcus; Chen, Xianzhong

    2016-01-01

    A metasurface can manipulate light in a desirable manner by imparting local and space-variant abrupt phase change. Benefiting from such an unprecedented capability, the conventional concept of what constitutes an optical lens continues to evolve. Ultrathin optical metasurface lenses have been demonstrated based on various nanoantennas such as V-shape structures, nanorods and nanoslits. A single device that can integrate two different types of lenses and polarities is desirable for system integration and device miniaturization. We experimentally demonstrate such an ultrathin metasurface lens that can function either as a spherical lens or a cylindrical lens, depending on the helicity of the incident light. Helicity-controllable focal line and focal point in the real focal plane, as well as imaging and 1D/2D Fourier transforms, are observed on the same lens. Our work provides a unique tool for polarization imaging, image processing and particle trapping. PMID:27272601

  9. High throughput full Stokes Fourier transform imaging spectropolarimetry.

    PubMed

    Meng, Xin; Li, Jianxin; Xu, Tingting; Liu, Defang; Zhu, Rihong

    2013-12-30

    A complete full Stokes imaging spectropolarimeter is proposed. Four separate polarized spectra are fed into the Sagnac Fourier transform spectrometer without slit using different angle combinations of the polarized elements. The four polarized spectra are separated without spatial aliasing. And the system has a good performance to resist the instrument noise due to its high light throughput. The mathematical model for the approach is derived and an optimization of the retardance is discussed. For acquiring the four spectra simultaneously, an improved robust polarization modulator using aperture division is outlined. Then the system is discussed in detail including the imaging principle and spectral resolution. Lastly, two proven experiments are carried out and the experimental results in visible light are outlined.

  10. 3-D Printed Slit Nozzles for Fourier Transform Microwave Spectroscopy

    NASA Astrophysics Data System (ADS)

    Dewberry, Chris; Mackenzie, Becca; Green, Susan; Leopold, Ken

    2015-06-01

    3-D printing is a new technology whose applications are only beginning to be explored. In this report, we describe the application of 3-D printing to the facile design and construction of supersonic nozzles. The efficacy of a variety of designs is assessed by examining rotational spectra OCS and Ar-OCS using a Fourier transform microwave spectrometer with tandem cavity and chirped-pulse capabilities. This work focuses primarily on the use of slit nozzles but other designs have been tested as well. New nozzles can be created for 0.50 or less each, and the ease and low cost should facilitate the optimization of nozzle performance (e.g., jet temperature or cluster size distribution) for the needs of any particular experiment.

  11. Calibration of the Geostationary Imaging Fourier Transform Spectrometer (GIFTS)

    NASA Technical Reports Server (NTRS)

    Best, F. A.; Revercomb, H. E.; Bingham, G. E.; Knuteson, R. O.; Tobin, D. C.; LaPorte, D. D.; Smith, W. L.

    2001-01-01

    The NASA New Millennium Program's Geostationary Imaging Fourier Transform Spectrometer (GIFTS) requires highly accurate radiometric and spectral calibration in order to carry out its mission to provide water vapor, wind, temperature, and trace gas profiling from geostationary orbit. A calibration concept has been developed for the GIFTS Phase A instrument design. The in-flight calibration is performed using views of two on-board blackbody sources along with cold space. A radiometric calibration uncertainty analysis has been developed and used to show that the expected performance for GIFTS exceeds its top level requirement to measure brightness temperature to better than 1 K. For the Phase A GIFTS design, the spectral calibration is established by the highly stable diode laser used as the reference for interferogram sampling, and verified with comparisons to atmospheric calculations.

  12. Wide-Field Detected Fourier Transform CARS Microscopy

    PubMed Central

    Duarte, Alex Soares; Schnedermann, Christoph; Kukura, Philipp

    2016-01-01

    We present a wide-field imaging implementation of Fourier transform coherent anti-Stokes Raman scattering (wide-field detected FT-CARS) microscopy capable of acquiring high-contrast label-free but chemically specific images over the full vibrational ‘fingerprint’ region, suitable for a large field of view. Rapid resonant mechanical scanning of the illumination beam coupled with highly sensitive, camera-based detection of the CARS signal allows for fast and direct hyperspectral wide-field image acquisition, while minimizing sample damage. Intrinsic to FT-CARS microscopy, the ability to control the range of time-delays between pump and probe pulses allows for fine tuning of spectral resolution, bandwidth and imaging speed while maintaining full duty cycle. We outline the basic principles of wide-field detected FT-CARS microscopy and demonstrate how it can be used as a sensitive optical probe for chemically specific Raman imaging. PMID:27881844

  13. Sound resonance in pipes with discrete Fourier transform

    NASA Astrophysics Data System (ADS)

    Aljalal, Abdulaziz M.

    2015-09-01

    Sound resonance in pipes is investigated using a readily available setup consisting of a pipe, loudspeaker, microphone, and laptop. Discrete Fourier transform is used to extract the amplitude and phase spectra from the recorded sound enabling determination of locations and shapes of resonance peaks accurately. Either white noise signal or sharp pulse signal is used as an excited input sound signal. Both have broad frequency spectra and the difference between them is explored. The shapes of the amplitude and phase spectra are found to be well fitted to the predicted shapes. The pipe is either closed at both ends, closed at only one end, or open at both ends. The speed of sound and the effective location of reflection at the open end are in excellent agreement with theory.

  14. How to tickle spins with a fourier transform NMR spectrometer.

    PubMed

    Segawa, Takuya F; Carnevale, Diego; Bodenhausen, Geoffrey

    2013-02-04

    In the long bygone days of continuous-wave nuclear magnetic resonance (NMR) spectroscopy, a selected transition within a multiplet of a high-resolution spectrum could be irradiated by a highly selective continuous-wave (CW) radio-frequency (rf) field with a very weak amplitude ω(2)/(2π)≤J. This causes splittings of connected transitions, allowing one to map the connectivities of all transitions within the energy-level diagram of the spin system. Such "tickling" experiments stimulated the invention of two-dimensional spectroscopy, but seem to have been forgotten for nearly 50 years. We show that tickling can readily be achieved in homonuclear systems with Fourier transform spectrometers by applying short pulses in the intervals between the sampling points. Extensions to heteronuclear systems are even more straightforward since they can be carried out using very weak CW rf fields. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. A direct digital synthesis chirped pulse Fourier transform microwave spectrometer.

    PubMed

    Finneran, Ian A; Holland, Daniel B; Carroll, P Brandon; Blake, Geoffrey A

    2013-08-01

    Chirped pulse Fourier transform microwave (CP-FTMW) spectrometers have become the instrument of choice for acquiring rotational spectra, due to their high sensitivity, fast acquisition rate, and large bandwidth. Here we present the design and capabilities of a recently constructed CP-FTMW spectrometer using direct digital synthesis (DDS) as a new method for chirped pulse generation, through both a suite of extensive microwave characterizations and deep averaging of the 10-14 GHz spectrum of jet-cooled acetone. The use of DDS is more suited for in situ applications of CP-FTMW spectroscopy, as it reduces the size, weight, and power consumption of the chirp generation segment of the spectrometer all by more than an order of magnitude, while matching the performance of traditional designs. The performance of the instrument was further improved by the use of a high speed digitizer with dedicated signal averaging electronics, which facilitates a data acquisition rate of 2.1 kHz.

  16. A rheumatoid arthritis study by Fourier transform infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Carvalho, Carolina S.; Silva, Ana Carla A.; Santos, Tatiano J. P. S.; Martin, Airton A.; dos Santos Fernandes, Ana Célia; Andrade, Luís E.; Raniero, Leandro

    2012-01-01

    Rheumatoid arthritis is a systemic inflammatory disease of unknown causes and a new methods to identify it in early stages are needed. The main purpose of this work is the biochemical differentiation of sera between normal and RA patients, through the establishment of a statistical method that can be appropriately used for serological analysis. The human sera from 39 healthy donors and 39 rheumatics donors were collected and analyzed by Fourier Transform Infrared Spectroscopy. The results show significant spectral variations with p<0.05 in regions corresponding to protein, lipids and immunoglobulins. The technique of latex particles, coated with human IgG and monoclonal anti-CRP by indirect agglutination known as FR and CRP, was performed to confirm possible false-negative results within the groups, facilitating the statistical interpretation and validation of the technique.

  17. Voigt line infrared atmospheric transmittance calculations by Fourier transform

    NASA Astrophysics Data System (ADS)

    Neuendorffer, A. C.

    1980-04-01

    The absorption coefficient space of an IR atmospheric path contains the linear superposition of many Voigt spectral lines. This paper discusses the practical application of Karp's method to the simulation of satellite transmittance and radiance observations by using fast Fourier transforms on the recursively generated Voigt transforms. Although the procedure is physically straightforward, it is nonetheless computationally demanding and suited primarily to narrow isolated Q-branch regions. Performing the calculation on a 2.4/cm wide 15-micron CO2 Q-branch region demonstrates that 4% of the total absorption takes place above 0.1 mb. This absorption is in the cold mesopause and results in a 1-2% radiation deficit with its inclusion in a satellite radiation calculation.

  18. Microscope system with on axis programmable Fourier transform filtering

    NASA Astrophysics Data System (ADS)

    Martínez, José Luis; García-Martínez, Pascuala; Moreno, Ignacio

    2017-02-01

    We propose an on-axis microscope optical system to implement programmable optical Fourier transform image processing operations, taking advantage of phase and polarization modulation of a liquid crystal on silicon (LCOS) display. We use a Hamamatsu spatial light modulator (SLM), free of flickering, which therefore can be tuned to fully eliminate the zero order component of the encoded diffractive filter. This allows the realization of filtering operation on axis (as opposed to other systems in the literature that require operating off axis), therefore making use of the full space bandwidth provided by the SLM. The system is first demonstrated by implementing different optical processing operations based on phase-only blazed gratings such as phase contrast, band-pass filtering, or additive and substractive imaging. Then, a simple Differential interference contrast (DIC) imaging is obtained changing to a polarization modulation scheme, achieved simply by selecting a different incident state of polarization on the incident beam.

  19. Generation of Fourier-transform-limited heralded single photons

    SciTech Connect

    U'Ren, Alfred B.; Jeronimo-Moreno, Yasser; Garcia-Gracia, Hipolito

    2007-02-15

    In this paper we study the spectral (temporal) properties of heralded single photon wave packets, triggered by the detection of an idler photon in the process of parametric down conversion. The generated single photons are studied within the framework of the chronocyclic Wigner function, from which the single photon spectral width and temporal duration can be computed. We derive specific conditions on the two-photon joint spectral amplitude which result in both pure and Fourier-transform-limited heralded single photons. Likewise, we present specific source geometries which lead to the fulfillment of these conditions and show that one of these geometries leads, for a given pump bandwidth, to the temporally shortest possible heralded single photon wave packets.

  20. Process control using fiber optics and Fourier transform infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Kemsley, E. K.; Wilson, Reginald H.

    1992-03-01

    A process control system has been constructed using optical fibers interfaced to a Fourier transform infrared (FT-IR) spectrometer, to achieve remote spectroscopic analysis of food samples during processing. The multichannel interface accommodates six fibers, allowing the sequential observation of up to six samples. Novel fiber-optic sampling cells have been constructed, including transmission and attenuated total reflectance (ATR) designs. Different fiber types have been evaluated; in particular, plastic clad silica (PCS) and zirconium fluoride fibers. Processes investigated have included the dilution of fruit juice concentrate, and the addition of alcohol to fruit syrup. Suitable algorithms have been written which use the results of spectroscopic measurements to control and monitor the course of each process, by actuating devices such as valves and switches.

  1. Experimental results from an airborne static Fourier transform imaging spectrometer.

    PubMed

    Ferrec, Yann; Taboury, Jean; Sauer, Hervé; Chavel, Pierre; Fournet, Pierre; Coudrain, Christophe; Deschamps, Joël; Primot, Jérôme

    2011-10-20

    A high étendue static Fourier transform spectral imager has been developed for airborne use. This imaging spectrometer, based on a Michelson interferometer with rooftop mirrors, is compact and robust and benefits from a high collection efficiency. Experimental airborne images were acquired in the visible domain. The processing chain to convert raw images to hyperspectral data is described, and airborne spectral images are presented. These experimental results show that the spectral resolution is close to the one expected, but also that the signal to noise ratio is limited by various phenomena (jitter, elevation fluctuations, and one parasitic image). We discuss the origin of those limitations and suggest solutions to circumvent them. © 2011 Optical Society of America

  2. Analysis of far-infrared emission Fourier transform spectra

    NASA Technical Reports Server (NTRS)

    Park, J. H.; Carli, B.

    1986-01-01

    An analysis method that uses the nonlinear least-squares fit technique has been developed for emission spectra obtained with a Fourier transform spectrometer. This method is used for the analysis of submillimeter-region atmospheric emission spectra obtained with a balloon-borne FT spectrometer that was carried out as a correlative measurement for the Limb IR Monitor of the Stratosphere (LIMS) satellite experiment. The retrieved mixing ratios of H2O and O3 in the stratosphere from four spectral intervals have standard deviations of about 10 percent, and the average values agree to within 10 percent of corresponding results from the LIMS satellite experiment which used a broadband emission radiometer in the IR region.

  3. Development of galvanostatic Fourier transform electrochemical impedance spectroscopy.

    PubMed

    Nam, Kwang-Mo; Shin, Dong-Hyup; Jung, Namchul; Joo, Moon G; Jeon, Sangmin; Park, Su-Moon; Chang, Byoung-Yong

    2013-02-19

    Here, we report development of the galvanostatic Fourier transform electrochemical impedance spectroscopy (FTEIS), which monitors impedance of electrochemical reactions activated by current steps. We first derive relevant relations for potential change upon application of a step current, obtain impedances theoretically from the relations by simulation, and verify them with experimental results. The validity of the galvanostatic FTEIS technique is demonstrated by measuring impedances of a semiconductive silicon wafer using the conventional frequency response analysis (FRA), the potentiostatic FTEIS, and the galvanostatic FTEIS methods, and the results are in excellent agreement with each other. This work is significant in that the galvanostatic FTEIS would allow one to record impedance changes during charge/discharge cycles of secondary batteries and fuel cells as well as electrochemically irreversible systems which may produce noise level chronoamperometric currents by potentiostatic techniques.

  4. 2D discrete Fourier transform on sliding windows.

    PubMed

    Park, Chun-Su

    2015-03-01

    Discrete Fourier transform (DFT) is the most widely used method for determining the frequency spectra of digital signals. In this paper, a 2D sliding DFT (2D SDFT) algorithm is proposed for fast implementation of the DFT on 2D sliding windows. The proposed 2D SDFT algorithm directly computes the DFT bins of the current window using the precalculated bins of the previous window. Since the proposed algorithm is designed to accelerate the sliding transform process of a 2D input signal, it can be directly applied to computer vision and image processing applications. The theoretical analysis shows that the computational requirement of the proposed 2D SDFT algorithm is the lowest among existing 2D DFT algorithms. Moreover, the output of the 2D SDFT is mathematically equivalent to that of the traditional DFT at all pixel positions.

  5. OCTAD-S: digital fast Fourier transform spectrometers by FPGA

    NASA Astrophysics Data System (ADS)

    Iwai, Kazumasa; Kubo, Yûki; Ishibashi, Hiromitsu; Naoi, Takahiro; Harada, Kenichi; Ema, Kenji; Hayashi, Yoshinori; Chikahiro, Yuichi

    2017-07-01

    We have developed a digital fast Fourier transform spectrometer made of an analog-to-digital converter (ADC) and a field-programmable gate array (FPGA). The base instrument has independent ADC and FPGA modules, which allow us to implement different spectrometers in a relatively easy manner. Two types of spectrometers have been instrumented: one with 4.096 GS/s sampling speed and 2048 frequency channels and the other with 2.048 GS/s sampling speed and 32,768 frequency channels. The signal processing in these spectrometers has no dead time, and the accumulated spectra are recorded in external media every 8 ms. A direct sampling spectroscopy up to 8 GHz is achieved by a microwave track-and-hold circuit, which can reduce the analog receiver in front of the spectrometer. Highly stable spectroscopy with a wide dynamic range was demonstrated in a series of laboratory experiments and test observations of solar radio bursts.

  6. A generalized Fourier transform approach to risk measures

    NASA Astrophysics Data System (ADS)

    Bormetti, Giacomo; Cazzola, Valentina; Livan, Giacomo; Montagna, Guido; Nicrosini, Oreste

    2010-01-01

    We introduce the formalism of generalized Fourier transforms in the context of risk management. We develop a general framework in which to efficiently compute the most popular risk measures, value-at-risk and expected shortfall (also known as conditional value-at-risk). The only ingredient required by our approach is the knowledge of the characteristic function describing the financial data in use. This allows us to extend risk analysis to those non-Gaussian models defined in the Fourier space, such as Lévy noise driven processes and stochastic volatility models. We test our analytical results on data sets coming from various financial indexes, finding that our predictions outperform those provided by the standard log-normal dynamics and are in remarkable agreement with those of the benchmark historical approach.

  7. Lamellar grating optimization for miniaturized fourier transform spectrometers.

    PubMed

    Ferhanoglu, Onur; Seren, Hüseyin R; Lüttjohann, Stephan; Urey, Hakan

    2009-11-09

    Microfabricated Lamellar grating interferometers (LGI) require fewer components compared to Michelson interferotemeters and offer compact and broadband Fourier transform spectrometers (FTS) with good spectral resolution, high speed and high efficiency. This study presents the fundamental equations that govern the performance and limitations of LGI based FTS systems. Simulations and experiments were conducted to demonstrate and explain the periodic nature of the interferogram envelope due to Talbot image formation. Simulations reveal that the grating period should be chosen large enough to avoid Talbot phase reversal at the expense of mixing of the diffraction orders at the detector. Optimal LGI grating period selection depends on a number of system parameters and requires compromises in spectral resolution and signal-to-bias ratio (SBR) of the interferogram within the spectral range of interest. New analytical equations are derived for spectral resolution and SBR of LGI based FTS systems.

  8. Parallel fast Fourier transforms for non power of two data

    SciTech Connect

    Semeraro, B.D.

    1994-09-01

    This report deals with parallel algorithms for computing discrete Fourier transforms of real sequences of length N not equal to a power of two. The method described is an extension of existing power of two transforms to sequences with N a product of small primes. In particular, this implementation requires N = 2{sup p}3{sup q}5{sup r}. The communication required is the same as for a transform of length N = 2{sup p}. The algorithm presented is intended for use in the solution of partial differential equations, or in any situation in which a large number of forward and backward transforms must be performed and in which the Fourier Coefficients need not be ordered. This implementation is a one dimensional FFT but the techniques are applicable to multidimensional transforms as well. The algorithm has been implemented on a 128 node Intel Ipsc/860.

  9. Gas emission analysis based on Fourier transformed infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Shu, Xiaowen; Zhang, Xiaofu; Lian, Xu; Jin, Hui

    2014-12-01

    Solar occultation flux (SOF), a new optical technology to detect the gas based on the traditional Fourier transformed infrared spectroscopy (FTIR) developed quickly recently. In this paper, the system and the data analysis is investigated. First a multilayer transmission model of solar radiation is simulated. Then the retrieval process is illustrated. In the proceeding of the data analysis, the Levenberg-Marquardt non-linear square fitting is used to obtain the gas column concentration and the related emission ratio. After the theory certification, the built up system is conducted in a fertilizer plant in Hefei city .The results show SOF is available in the practice and the retrieved gas column concentration can give important information about the pollution emission and dispersion

  10. Structural Characterization of Carbohydrates by Fourier Transform Tandem Mass Spectrometry

    PubMed Central

    Zhou, Wen; Håkansson, Kristina

    2012-01-01

    Fourier transform tandem mass spectrometry (MS/MS) provides high mass accuracy, high sensitivity, and analytical versatility and has therefore emerged as an indispensable tool for structural elucidation of biomolecules. Glycosylation is one of the most common posttranslational modifications, occurring in ~50% of proteins. However, due to the structural diversity of carbohydrates, arising from non-template driven biosynthesis, achievement of detailed structural insight is highly challenging. This review briefly discusses carbohydrate sample preparation and ionization methods, and highlights recent developments in alternative high-resolution MS/MS strategies, including infrared multiphoton dissociation (IRMPD), electron capture dissociation (ECD), and electron detachment dissociation (EDD), for carbohydrates with a focus on glycans and proteoglycans from mammalian glycoproteins. PMID:22389641

  11. Versatile and Sensitive Dual Comb Fourier Transform Spectroscopy

    NASA Astrophysics Data System (ADS)

    Jacquey, M.; Jacquet, P.; Mandon, J.; Thon, R.; Guelachvili, G.; Hänsch, T. W.; Picqué, N.

    2010-06-01

    Fourier transform spectroscopy based on time-domain interferences between two slightly detuned frequency comb sources holds much promise for the real-time diagnostic of gaseous, liquid or solid-state samples. In one very recent example, cavity-enhanced absorption spectroscopy with two infrared frequency combs has demonstrated a dramatically enhanced sensitivity, compared to conventional Fourier spectroscopy, with intriguing implications for instantaneous trace gas analysis. It however remains challenging to match continuously the comb and cavity modes across a broad spectral bandwidth during the time of a measurement. An obvious alternative for reaching a long interaction path is a conventional multipass cell. Additionally, differential detection schemes may be devised to increase the dynamic range of the interferometric measurements, thus providing enhanced signal to noise ratio. Experimental demonstrations will be given in the 1.5 μm region with a dual comb set-up based on two Er-doped fiber femtosecond lasers. The versatility and performances of these solutions will be compared to the cavity-enhanced dual comb technique and other state-of-the-art alternatives. P. Jacquet, J. Mandon, B. Bernhardt, R. Holzwarth, G. Guelachvili, T. W. Hänsch, N. Picqué, Frequency Comb Fourier Transform Spectroscopy with kHz Optical Resolution, The Optical Society of America, Washington, DC 2009, paper FMB2 (2009). B. Bernhardt, A. Ozawa, P. Jacquet, M. Jacquey, Y. Kobayashi, T. Udem, R. Holzwarth, G. Guelachvili, T.W. Hänsch, N. Picqué, Cavity-enhanced dual-comb spectroscopy, Nature Photonics 4, 55-57 (2010),

  12. Fast Fourier Transform Co-processor (FFTC), towards embedded GFLOPs

    NASA Astrophysics Data System (ADS)

    Kuehl, Christopher; Liebstueckel, Uwe; Tejerina, Isaac; Uemminghaus, Michael; Witte, Felix; Kolb, Michael; Suess, Martin; Weigand, Roland; Kopp, Nicholas

    2012-10-01

    Many signal processing applications and algorithms perform their operations on the data in the transform domain to gain efficiency. The Fourier Transform Co-Processor has been developed with the aim to offload General Purpose Processors from performing these transformations and therefore to boast the overall performance of a processing module. The IP of the commercial PowerFFT processor has been selected and adapted to meet the constraints of the space environment. In frame of the ESA activity "Fast Fourier Transform DSP Co-processor (FFTC)" (ESTEC/Contract No. 15314/07/NL/LvH/ma) the objectives were the following: • Production of prototypes of a space qualified version of the commercial PowerFFT chip called FFTC based on the PowerFFT IP. • The development of a stand-alone FFTC Accelerator Board (FTAB) based on the FFTC including the Controller FPGA and SpaceWire Interfaces to verify the FFTC function and performance. The FFTC chip performs its calculations with floating point precision. Stand alone it is capable computing FFTs of up to 1K complex samples in length in only 10μsec. This corresponds to an equivalent processing performance of 4.7 GFlops. In this mode the maximum sustained data throughput reaches 6.4Gbit/s. When connected to up to 4 EDAC protected SDRAM memory banks the FFTC can perform long FFTs with up to 1M complex samples in length or multidimensional FFT-based processing tasks. A Controller FPGA on the FTAB takes care of the SDRAM addressing. The instructions commanded via the Controller FPGA are used to set up the data flow and generate the memory addresses. The paper will give an overview on the project, including the results of the validation of the FFTC ASIC prototypes.

  13. Adaptive Controller for Compact Fourier Transform Spectrometer with Space Applications

    NASA Astrophysics Data System (ADS)

    Keymeulen, D.; Yiu, P.; Berisford, D. F.; Hand, K. P.; Carlson, R. W.; Conroy, M.

    2014-12-01

    Here we present noise mitigation techniques developed as part of an adaptive controller for a very compact Compositional InfraRed Interferometric Spectrometer (CIRIS) implemented on a stand-alone field programmable gate array (FPGA) architecture with emphasis on space applications in high radiation environments such as Europa. CIRIS is a novel take on traditional Fourier Transform Spectrometers (FTS) and replaces linearly moving mirrors (characteristic of Michelson interferometers) with a constant-velocity rotating refractor to variably phase shift and alter the path length of incoming light. The design eschews a monochromatic reference laser typically used for sampling clock generation and instead utilizes constant time-sampling via internally generated clocks. This allows for a compact and robust device, making it ideal for spaceborne measurements in the near-IR to thermal-IR band (2-12 µm) on planetary exploration missions. The instrument's embedded microcontroller is implemented on a VIRTEX-5 FPGA and a PowerPC with the aim of sampling the instrument's detector and optical rotary encoder in order to construct interferograms. Subsequent onboard signal processing provides spectral immunity from the noise effects introduced by the compact design's removal of a reference laser and by the radiation encountered during space flight to destinations such as Europa. A variety of signal processing techniques including resampling, radiation peak removal, Fast Fourier Transform (FFT), spectral feature alignment, dispersion correction and calibration processes are applied to compose the sample spectrum in real-time with signal-to-noise-ratio (SNR) performance comparable to laser-based FTS designs in radiation-free environments. The instrument's FPGA controller is demonstrated with the FTS to characterize its noise mitigation techniques and highlight its suitability for implementation in space systems.

  14. Fast Fourier Transform Co-Processor (FFTC)- Towards Embedded GFLOPs

    NASA Astrophysics Data System (ADS)

    Kuehl, Christopher; Liebstueckel, Uwe; Tejerina, Isaac; Uemminghaus, Michael; Wite, Felix; Kolb, Michael; Suess, Martin; Weigand, Roland

    2012-08-01

    Many signal processing applications and algorithms perform their operations on the data in the transform domain to gain efficiency. The Fourier Transform Co- Processor has been developed with the aim to offload General Purpose Processors from performing these transformations and therefore to boast the overall performance of a processing module. The IP of the commercial PowerFFT processor has been selected and adapted to meet the constraints of the space environment.In frame of the ESA activity “Fast Fourier Transform DSP Co-processor (FFTC)” (ESTEC/Contract No. 15314/07/NL/LvH/ma) the objectives were the following:Production of prototypes of a space qualified version of the commercial PowerFFT chip called FFTC based on the PowerFFT IP.The development of a stand-alone FFTC Accelerator Board (FTAB) based on the FFTC including the Controller FPGA and SpaceWire Interfaces to verify the FFTC function and performance.The FFTC chip performs its calculations with floating point precision. Stand alone it is capable computing FFTs of up to 1K complex samples in length in only 10μsec. This corresponds to an equivalent processing performance of 4.7 GFlops. In this mode the maximum sustained data throughput reaches 6.4Gbit/s. When connected to up to 4 EDAC protected SDRAM memory banks the FFTC can perform long FFTs with up to 1M complex samples in length or multidimensional FFT- based processing tasks.A Controller FPGA on the FTAB takes care of the SDRAM addressing. The instructions commanded via the Controller FPGA are used to set up the data flow and generate the memory addresses.The presentation will give and overview on the project, including the results of the validation of the FFTC ASIC prototypes.

  15. Ultrahigh-resolution fourier transform mass spectrometry of biomolecules above m/z 5 000

    NASA Astrophysics Data System (ADS)

    Li, Yunzhi; Hunter, Richard L.; McIver, Robert T., Jr.

    1996-12-01

    Ions with a mass-to-charge ratio (m/z) greater than 5 000 have been made by matrix-assisted laser desorption/ionization (MALDI) and detected at high mass resolving power by Fourier transform mass spectrometry (FTMS). The FTMS instrument used for the investigations has a MALDI source mounted outside of the magnetic field in a separate, differentially-pumped chamber. Ions were extracted from the source and transported efficiently to the FTMS analyzer cell by a r.f.-only quadrupole ion guide. To optimize the mass resolution for high mass ions, the operating parameters of the instrument were varied systematically. It was found that the parameters for formation of ions in the MALDI source, such as laser irradiance and amount of sample ablated, do not affect the mass resolution significantly. The biggest effects resulted from changing the ion detection parameters in the FTMS analyzer cell, in particular the trapping voltage, excitation r.f. level, background pressure, and number of ions stored. With optimal tuning, the external ion source FTMS method gave a mass resolving power of M/[Delta]M1/2 = 830 000 for human insulin at m/z 5 807 and 81 000 for cytochrome C at m/z 12 360.

  16. Rotationally Cold OH- Ions in the Cryogenic Electrostatic Ion-Beam Storage Ring DESIREE

    NASA Astrophysics Data System (ADS)

    Schmidt, H. T.; Eklund, G.; Chartkunchand, K. C.; Anderson, E. K.; Kamińska, M.; de Ruette, N.; Thomas, R. D.; Kristiansson, M. K.; Gatchell, M.; Reinhed, P.; Rosén, S.; Simonsson, A.; Källberg, A.; Löfgren, P.; Mannervik, S.; Zettergren, H.; Cederquist, H.

    2017-08-01

    We apply near-threshold laser photodetachment to characterize the rotational quantum level distribution of OH- ions stored in the cryogenic ion-beam storage ring DESIREE at Stockholm University. We find that the stored ions relax to a rotational temperature of 13.4 ±0.2 K with 94.9 ±0.3 % of the ions in the rotational ground state. This is consistent with the storage ring temperature of 13.5 ±0.5 K as measured with eight silicon diodes but in contrast to all earlier studies in cryogenic traps and rings where the rotational temperatures were always much higher than those of the storage devices at their lowest temperatures. Furthermore, we actively modify the rotational distribution through selective photodetachment to produce an OH- beam where 99.1 ±0.1 % of approximately one million stored ions are in the J =0 rotational ground state. We measure the intrinsic lifetime of the J =1 rotational level to be 145 ±28 s .

  17. Rotationally Cold OH^{-} Ions in the Cryogenic Electrostatic Ion-Beam Storage Ring DESIREE.

    PubMed

    Schmidt, H T; Eklund, G; Chartkunchand, K C; Anderson, E K; Kamińska, M; de Ruette, N; Thomas, R D; Kristiansson, M K; Gatchell, M; Reinhed, P; Rosén, S; Simonsson, A; Källberg, A; Löfgren, P; Mannervik, S; Zettergren, H; Cederquist, H

    2017-08-18

    We apply near-threshold laser photodetachment to characterize the rotational quantum level distribution of OH^{-} ions stored in the cryogenic ion-beam storage ring DESIREE at Stockholm University. We find that the stored ions relax to a rotational temperature of 13.4±0.2  K with 94.9±0.3% of the ions in the rotational ground state. This is consistent with the storage ring temperature of 13.5±0.5  K as measured with eight silicon diodes but in contrast to all earlier studies in cryogenic traps and rings where the rotational temperatures were always much higher than those of the storage devices at their lowest temperatures. Furthermore, we actively modify the rotational distribution through selective photodetachment to produce an OH^{-} beam where 99.1±0.1% of approximately one million stored ions are in the J=0 rotational ground state. We measure the intrinsic lifetime of the J=1 rotational level to be 145±28  s.

  18. Computationally efficient method for Fourier transform of highly chirped pulses for laser and parametric amplifier modeling.

    PubMed

    Andrianov, Alexey; Szabo, Aron; Sergeev, Alexander; Kim, Arkady; Chvykov, Vladimir; Kalashnikov, Mikhail

    2016-11-14

    We developed an improved approach to calculate the Fourier transform of signals with arbitrary large quadratic phase which can be efficiently implemented in numerical simulations utilizing Fast Fourier transform. The proposed algorithm significantly reduces the computational cost of Fourier transform of a highly chirped and stretched pulse by splitting it into two separate transforms of almost transform limited pulses, thereby reducing the required grid size roughly by a factor of the pulse stretching. The application of our improved Fourier transform algorithm in the split-step method for numerical modeling of CPA and OPCPA shows excellent agreement with standard algorithms.

  19. Analysis of nanostructure of red blood cells membranes by space Fourier transform of AFM images.

    PubMed

    Kozlova, Elena K; Chernysh, Alexander M; Moroz, Victor V; Kuzovlev, Artem N

    2013-01-01

    Atomic force microscopy (AFM) allows a researcher to obtain images of red blood cells (RBC) and their membranes. Various effects on blood lead to surface alterations of cell membranes. Such alterations are estimated by a corrugation of membrane surface. This problem is complicated for statistical analysis because the membrane is the ensemble of structures with different sizes. In the present work we used the space Fourier transform to decompose the complex AFM image of the surface into three simpler ones. The parameters of spectral windows were selected according to the natural structures of RBC membranes. This method allowed us to obtain high resolution images for the corresponding spectral windows, to establish specificity of alterations from each effect, to estimate quantitatively the membrane nanostructures at different space scales and to compare their sizes statistically after actions of different agents. The blood intoxication was modeled by adding hemin, furosemide, chlorpromazine and zinc ions into blood, in vitro. Copyright © 2012 Elsevier Ltd. All rights reserved.

  20. Characterization of naturally-occurring and modified fullerenes by Fourier transform mass spectrometry

    SciTech Connect

    Hettich, R.L.; Jin, C.; Compton, R.N. ); Buseck, P.R.; Tsipursky, S.J. )

    1993-10-10

    Fourier transform mass spectrometry (FTMS) employing both laser desorption/ionization and thermal desorption/electron ionization is useful for the detection and structural characterization of fullerenes and chemically-modified fullerenes. Examination of a carbon-rich shungite rock sample from Russia by transmission electron microscopy and FTMS provided evidence of naturally-occurring fullerenes. Ion-molecule reactions can be studied with FTMS to investigate the electron affinities of modified fullerenes. By monitoring charge exchange reactions, the electron affinities of C[sub 60]F[sub x] (x=44,46) and C[sub 70]F[sub y] (y=52,54) were found to be substantially higher than the values for the parent fullerenes.

  1. Fourier Transform Infrared and Resonance Raman Spectroscopic Studies of Bacteriorhodopsin.

    NASA Astrophysics Data System (ADS)

    Earnest, Thomas Nixon

    Fourier transform infrared and resonance Raman spectroscopy were used to investigate the structure and function of the light-activated, transmembrane proton pump, bacteriorhodopsin, from the purple membrane of Halobacterium halobium. Bacteriorhodopsin (bR) is a 27,000 dalton integral membrane protein consisting of 248 amino acids with a retinylidene chromophore. Absorption of a photon leads to the translocation of one or two protons from the inside of the cell to the outside. Resonance Raman spectroscopy allows for the study of the configuration of retinal in bR and its photointermediates by the selective enhancement of vibrational modes of the chromophore. This technique was used to determine that the chromophore is attached to lysine-216 in both the bR _{570} and the M _{412} intermediates. In bR with tyrosine-64 selectively nitrated or aminated, the chromophore appears to have the same configuration in that bR _{570} (all- trans) and M _{412} (13- cis) states as it does in unmodified bR. Polarized Fourier transform infrared spectroscopy (FTIR) permits the study of the direction of transition dipole moments arising from molecular vibrations of the protein and the retinal chromophore. The orientation of alpha helical and beta sheet components was determined for bR with the average helical tilt found to lie mostly parallel to the membrane normal. The beta sheet structures also exhibit an IR linear dichroism for the amide I and amide II bands which suggest that the peptide backbone is mostly perpendicular to the membrane plane although it is difficult to determine whether the bands originate from sheet or turn components. The orientation of secondary structure components of the C-1 (residues 72-248) and C-2 (residues 1-71) fragments were also investigated to determine the structure of these putative membrane protein folding intermediates. Polarized, low temperature FTIR -difference spectroscopy was then used to investigate the structure of bR as it undergoes

  2. Gas Analysis by Fourier Transform Mm-Wave Spectroscopy

    NASA Astrophysics Data System (ADS)

    Harris, Brent J.; Steber, Amanda L.; Lehmann, Kevin K.; Pate, Brooks H.

    2013-06-01

    Molecular rotational spectroscopy of low pressure, room temperature gases offers high chemical selectivity and sensitivity with the potential for a wide range of applications in gas analysis. A strength of the technique is the potential to identify molecules that have not been previously studied by rotational spectroscopy by comparing experimental results to predictions of the spectroscopic parameters from quantum chemistry -6 so called library-free detection. The development of Fourier transform mm-wave spectrometers using high peak power (30 mW) active multiplier chain mm-wave sources brings new measurement capabilities to the analysis of complex gas mixtures. Strategies for gas analysis based on high-throughput mm-wave spectroscopy and arbitrary waveform generator driven mm-wave sources are described. Several new measurement capabilities come from the intrinsic time-domain measurement technique. High-sensitivity double-resonance measurements can be performed to speed the analysis of a complex gas sample containing several species. This technique uses a "pi-pulse" to selectively invert the population of two selected rotational energy levels and the effect of this excitation pulse on all other transitions in the spectrometer operating range is monitored using segmented chirped-pulse Fourier transform spectroscopy. This method can lead to automated determination of the molecular rotational constants. Rapid pulse duration scan experiments can be used to estimate the magnitude and direction of the dipole moment of the molecule from an unknown spectrum. Coherent pulse echo experiments, using the traditional Hahn sequence or two-color population recovery methods, can be used to determine the collisional relaxation rate of the unknown molecule. This rate determination improves the ability to estimate the mass of the unknown molecule from the determination of the Doppler dephasing rate. By performing a suite of automated, high-throughput measurements, there is the

  3. Dual Cryogenic Ion Trap Spectrometer for Spectroscopy of Cold Ion-Molecules Complexes

    NASA Astrophysics Data System (ADS)

    Garand, Etienne

    2017-06-01

    Ion traps provide a great environment for carrying out controlled ion-neutral molecular reactions. They not only allow for low-temperature chemistry but also for the formation of weakly-bound clusters suitable for vibrational predissociation spectroscopy. Here we present a novel dual cryogenic ion trap spectrometer which combines both capabilities. The first ion trap allows for temperature controlled (77-300K) ion-neutral reaction and clustering, while the second ion trap further thermalize (10K) the reacted complexes and prepare them for subsequent infrared vibrational predissociation characterization. Our studies show that at 80K, large solvated clusters with more than 50 water molecules can be formed around almost any ions inside the first ion trap. This opens the door for studies of peptide structures as a function of solvation. Preliminary data on the microsolvation of model protonated (Gly)_{n} peptides will be presented. One complication in these studies is the presence of multiple conformations and resulting spectral congestion which hinders the spectral analysis. We approached this issue in two different ways. First, taking advantage of temperature dependent H-D exchange, we formed D_{2}O solvated all H peptides and thus separated the spectral signatures of the solvent and solute into two different regions. Second, implementation of a simplified IR-IR double resonance scheme allowed us to efficiently extract conformation-specific spectrum from complex mixture of isobaric molecules. The combination of these two approaches opens the possibility of studying very complex clusters with high structural specificity.

  4. Fourier transform infrared Hadamard tomography of sooting flames

    NASA Astrophysics Data System (ADS)

    Bates, Stephen C.; Carangelo, Robert; Knight, Kim; Serio, Michael

    1993-05-01

    An experimental technique is described that combines tomography, Hadamard signal encodement, and a patented Fourier transform infrared (FT-IR) emission/transmission (E/T) technique to perform simultaneous spatially resolved gas species and soot measurements during combustion. Tomographic analysis of line-of-sight FT-IR data allows spatially resolved measurements to be made. Hadamard encodement of the tomographic sections increases the overall signal throughput, improving the signal to noise (S/N) ratio for each measurement. The Hadamard technique leads to a major simplification in the tomographic apparatus in that the scanning apparatus that would normally be required is eliminated, and focusing of the infrared light is much easier. An experiment demonstrating Hadamard data processing as applied to FT-IR tomography is described. Deconvolution of the encoded data is shown to be accurate and gives the predicted improvement in S/N ratio. The FT-IR Hadamard tomography is performed to measure soot in a fuel-rich diffusion flame. Spatially resolved concentration measurements agree well with previous data, and clearly show striking three-dimensional features that could not normally be measured by simple line-of-sight techniques.

  5. An interferometer system for ultraviolet and visible Fourier transform spectrometry

    NASA Astrophysics Data System (ADS)

    Todd, B. R.; Horlick, G.

    1992-02-01

    An interferometer system has been designed and built specifically for the implementation of Fourier transform spectroscopy in the ultraviolet and visible spectral regions. The moving mirror is attached to a rectangular air-bearing/permanent magnet assembly. Fixed, twin coils provide the force by which the mirror is translated. A unique two-channel zero-force servo system has been developed to maintain a constant mirror velocity on both the forward and backward strokes of the moving mirror. The travel of the moving mirror is automatically controlled to be symmetrically centered about the position of zero path difference. The drive length is precisely presettable and is controlled utilizing an absolute reference laser fringe counting system. The maximum travel is 1.04 cm on either side of the position of zero path difference. A full stroke drive is equivalent to 65,536 cycles of the 1 HeNe reference laser-fringe ugnai and one stroke takes 6.5 s. The mirror automatically cycles back and forth enabling the signal averaging of repetitively generated inlerferograms. Oe-aliased spectra can be measured using a frequency multiplied version of the reference laser fringe. A phase-locked loop-circuit provides data acquisition clocking signals with rates of four times and eight times that of the basic laser-fringe signal. All data acquisition and processing is carried out using a Macintosh II computer.

  6. Single beam Fourier transform digital holographic quantitative phase microscopy

    SciTech Connect

    Anand, A. Chhaniwal, V. K.; Mahajan, S.; Trivedi, V.; Faridian, A.; Pedrini, G.; Osten, W.; Dubey, S. K.; Javidi, B.

    2014-03-10

    Quantitative phase contrast microscopy reveals thickness or height information of a biological or technical micro-object under investigation. The information obtained from this process provides a means to study their dynamics. Digital holographic (DH) microscopy is one of the most used, state of the art single-shot quantitative techniques for three dimensional imaging of living cells. Conventional off axis DH microscopy directly provides phase contrast images of the objects. However, this process requires two separate beams and their ratio adjustment for high contrast interference fringes. Also the use of two separate beams may make the system more vulnerable to vibrations. Single beam techniques can overcome these hurdles while remaining compact as well. Here, we describe the development of a single beam DH microscope providing whole field imaging of micro-objects. A hologram of the magnified object projected on to a diffuser co-located with a pinhole is recorded with the use of a commercially available diode laser and an arrayed sensor. A Fourier transform of the recorded hologram directly yields the complex amplitude at the image plane. The method proposed was investigated using various phase objects. It was also used to image the dynamics of human red blood cells in which sub-micrometer level thickness variation were measurable.

  7. Fourier transform infrared and physicochemical analyses of roasted coffee.

    PubMed

    Wang, Niya; Lim, Loong-Tak

    2012-05-30

    In this study, Brazilian coffee beans processed to different stages of roast at 210, 220, 230, and 240 °C were analyzed for pH value, titratable acidity, moisture content, and color lightness. Fourier transform infrared (FTIR) spectroscopy, in conjunction with principal component analysis, was conducted to study the effects of process time and temperature on the IR-active components of the acetyl acetate extract of the roasted coffee. The results showed that high-temperature-short-time resulted in higher moisture content, higher pH value, and higher titratable acidity when the beans were roasted beyond the start-of-second-crack stage, as compare to low-temperature-long-time process (LTLT). The LTLT process also resulted in greater IR absorbance for aldehydes, ketones, aliphatic acids, aromatic acids, and caffeine carbonyl bands on the FTIR spectra. Clusters for principal component score plots were well separated, indicating that the changes IR-active components in the coffee extracts, due to the different roasting treatments, can be discriminated by the FTIR technique. On the basis of the loading plots of principal components, changes of IR-active compounds in the coffee extract at various stages of roasting were discussed.

  8. High-resolution wide-band fast Fourier transform spectrometers

    NASA Astrophysics Data System (ADS)

    Klein, B.; Hochgürtel, S.; Krämer, I.; Bell, A.; Meyer, K.; Güsten, R.

    2012-06-01

    We describe the performance of our latest generations of sensitive wide-band high-resolution digital fast Fourier transform spectrometer (FFTS). Their design, optimized for a wide range of radio astronomical applications, is presented. Developed for operation with the GREAT far infrared heterodyne spectrometer on-board SOFIA, the eXtended bandwidth FFTS (XFFTS) offers a high instantaneous bandwidth of 2.5 GHz with 88.5 kHz spectral resolution and has been in routine operation during SOFIA's Basic Science since July 2011. We discuss the advanced field programmable gate array (FPGA) signal processing pipeline, with an optimized multi-tap polyphase filter bank algorithm that provides a nearly loss-less time-to-frequency data conversion with significantly reduced frequency scallop and fast sidelobe fall-off. Our digital spectrometers have been proven to be extremely reliable and robust, even under the harsh environmental conditions of an airborne observatory, with Allan-variance stability times of several 1000 s. An enhancement of the present 2.5 GHz XFFTS will duplicate the number of spectral channels (64k), offering spectroscopy with even better resolution during Cycle 1 observations.

  9. Fourier Transform Infrared Spectroscopy and Photoacoustic Spectroscopy for Saliva Analysis.

    PubMed

    Mikkonen, Jopi J W; Raittila, Jussi; Rieppo, Lassi; Lappalainen, Reijo; Kullaa, Arja M; Myllymaa, Sami

    2016-09-01

    Saliva provides a valuable tool for assessing oral and systemic diseases, but concentrations of salivary components are very small, calling the need for precise analysis methods. In this work, Fourier transform infrared (FT-IR) spectroscopy using transmission and photoacoustic (PA) modes were compared for quantitative analysis of saliva. The performance of these techniques was compared with a calibration series. The linearity of spectrum output was verified by using albumin-thiocyanate (SCN(-)) solution at different SCN(-) concentrations. Saliva samples used as a comparison were obtained from healthy subjects. Saliva droplets of 15 µL were applied on the silicon sample substrate, 6 drops for each specimen, and dried at 37 ℃ overnight. The measurements were carried out using an FT-IR spectrometer in conjunction with an accessory unit for PA measurements. The findings with both transmission and PA modes mirror each other. The major bands presented were 1500-1750 cm(-1) for proteins and 1050-1200 cm(-1) for carbohydrates. In addition, the distinct spectral band at 2050 cm(-1) derives from SCN(-) anions, which is converted by salivary peroxidases to hypothiocyanate (OSCN(-)). The correlation between the spectroscopic data with SCN(-) concentration (r > 0.990 for transmission and r = 0.967 for PA mode) was found to be significant (P < 0.01), thus promising to be utilized in future applications. © The Author(s) 2016.

  10. Non-rigid registration of tomographic images with Fourier transforms

    NASA Astrophysics Data System (ADS)

    Osorio, Ar; Isoardi, Ra; Mato, G.

    2007-11-01

    Spatial image registration of deformable body parts such as thorax and abdomen has important medical applications, but at the same time, it represents an important computational challenge. In this work we propose an automatic algorithm to perform non-rigid registration of tomographic images using a non-rigid model based on Fourier transforms. As a measure of similarity, we use the correlation coefficient, finding that the optimal order of the transformation is n = 3 (36 parameters). We apply this method to a digital phantom and to 7 pairs of patient images corresponding to clinical CT scans. The preliminary results indicate a fairly good agreement according to medical experts, with an average registration error of 2 mm for the case of clinical images. For 2D images (dimensions 512×512), the average running time for the algorithm is 15 seconds using a standard personal computer. Summarizing, we find that intra-modality registration of the abdomen can be achieved with acceptable accuracy for slight deformations and can be extended to 3D with a reasonable execution time.

  11. Chiral Process Monitoring Using Fourier Transform Microwave Spectroscopy

    NASA Astrophysics Data System (ADS)

    Neill, Justin L.; Muckle, Matt; Pate, Brooks

    2017-06-01

    We present the application of Fourier transform microwave (FTMW) spectroscopy in monitoring the chiral purity of components in a reaction mixture. This is of particular interest due to the increasing use of continuous pharmaceutical manufacturing processes, in which a number of attributes (including the chiral purity of the product) can change on short time scales. Therefore, new techniques that can accomplish this measurement rapidly are desired. The excellent specificity of FTMW spectroscopy, coupled with newly developed techniques for measuring enantiomeric excess in a mixture, have motivated this work. In collaboration with B. Frank Gupton (Virginia Commonwealth University), we are testing this application first with the synthesis of artemisinin. Artemisinin, a common drug for malaria treatment, is of high global health interest and subject to supply shortages, and therefore a strong candidate for continuous manufacturing. It also has moderately high molecular weight (282 amu) and seven chiral centers, making it a good candidate to test the capabilities of FTMW spectroscopy. Using a miniature cavity-enhanced FTMW spectrometer design, we aim to demonstrate selective component quantification in the reaction mixture. Future work that will be needed to fully realize this application will be discussed. R.D. Suenram, J.U. Grabow, A.Zuban, and I.Leonov, Rev. Sci. Instrum. 70, 2127 (1999).

  12. Continued Development of a Planetary Imaging Fourier Transform Spectrometer (PIFTS)

    NASA Technical Reports Server (NTRS)

    Sromovsky, L. A.

    2002-01-01

    This report describes continued efforts to evaluate a breadboard of a Planetary Imaging Fourier Transform Spectrometer (PIFTS). The PIFTS breadboard was developed under prior PIDDP funding. That effort is described in the final report for NASA Grant NAG5-6248 and in two conference papers (Sromovsky et al. 2000; Revercomb et al. 2000). The PIFTS breadboard was designed for near-IR (1-5.2 micrometer imaging of planetary targets with spectral resolving powers of several hundred to several thousand, using an InSb detector array providing at least 64x64 pixels imaging detail. The major focus of the development effort was to combine existing technologies to produce a small and low power design compatible with a very low mass flyable instrument. The objective of this grant (NAG5-10729) was further characterization of the breadboard performance, including intercomparisons with the highly accurate non-imaging Advanced Emitted Radiance Interferometer (AERI) (Revercomb et al. 1994; Best et al. 1997).

  13. Fourier transform methods applied to an optical heterodyne profilometer

    NASA Astrophysics Data System (ADS)

    Beltrán-González, A.; García-Torales, G.; Martínez-Ponce, G.

    2013-11-01

    In this work, theory and experiment describe the performance of a surface profile measurement device based on optical heterodyne interferometry are presented. The object and reference beams propagating through the interferometer are obtained by single-pass through an acousto-optic modulator. The diffraction orders 0 and the Doppler-shifted +1 (object and reference beams, respectively) are manipulated to propagate collinearly towards the interferometer output where a fast photodetector is placed to collect the irradiance. The modulated optical signal is Fourier transformed using a data acquisition card and RF communications software. The peak centered at the acousto-optic frequency in the power spectrum is filtered and averaged. The irregularities on the surface of the reflective sample are proportional to the height of this peak. The profile of a reflective blazed grating has been sketched by translating laterally the sample using a nanopositioning system. Experimental results are compared to the measurement done with a scanning electron microscope. There has been found a good agreement between both methods.

  14. Two-dimensional Fourier transform ESR correlation spectroscopy

    NASA Astrophysics Data System (ADS)

    Gorcester, Jeff; Freed, Jack H.

    1988-04-01

    We describe our pulsed two-dimensional Fourier transform ESR experiment and demonstrate its applicabilty for the double resonance of motionally narrowed nitroxides. Multiple pulse irradiation of the entire nitroxide spectrum enables the correlation of two precessional periods, allowing observation of cross correlations between hyperfine lines introduced by magnetization transfer in the case of a three-pulse experiment (2D ELDOR), or coherence transfer in the case of a two-pulse experiment (COSY). Cross correlations are revealed by the presence of cross peaks which connect the autocorrelation lines appearing along the diagonal ω1=ω2. The amplitudes of these cross peaks are determined by the rates of magnetization transfer in the 2D ELDOR experiment. The density operator theory for the experiment is outlined and applied to the determination of Heisenberg exchange (HE) rates in 2,2,6,6-tetramethyl-4-piperidone-N-oxyl-d15 (PD-tempone) dissolved in toluene-d8. The quantitative accuracy of this experiment is established by comparison with the HE rate measured from the dependence of the spin echo T2 on nitroxide concentration.

  15. Fourier Transform Microwave Spectroscopy of the Hoso Radical

    NASA Astrophysics Data System (ADS)

    Lattanzi, Valerio; McCarthy, M. C.; Tamassia, Filippo

    2011-06-01

    Molecules closely-related to SO_2 are of considerable interest because of the important role this triatomic or its surrogates play in the atmospheric and combustion chemistry of sulfur-containing compounds. Previous coupled-cluster quantum chemical calculations of the [HSO_2] potential energy surface conclude that a cis-isomer is the ground state, the trans isomer is a transition state, and that a C2v HSO_2 isomer lies considerably higher in energy (˜ 20 kcal/mol). Using Fourier Transform microwave spectroscopy, the rotational spectrum of the cis-HOSO radical has been precisely characterized for the first time by applying a DC discharge to a mixture of water and sulfur dioxide heavily diluted in neon. The fundamental rotational transition was detected near 17 GHz, in good agreement (within ˜ 1%) of the calculated value derived from the equilibrium structure. Microwave-microwave double resonance techniques have been used to extend the dataset to higher frequencies and to provide confirmation of the spectroscopic assignments. D. Binns, and P. Marshall, Journal of Chemical Physics 95, 4940, (1991) B. Napolion, and J. D. Watts, Chemical Physics Letters 421, 562, (2006)

  16. Ordered fast fourier transforms on a massively parallel hypercube multiprocessor

    NASA Technical Reports Server (NTRS)

    Tong, Charles; Swarztrauber, Paul N.

    1989-01-01

    Design alternatives for ordered Fast Fourier Transformation (FFT) algorithms were examined on massively parallel hypercube multiprocessors such as the Connection Machine. Particular emphasis is placed on reducing communication which is known to dominate the overall computing time. To this end, the order and computational phases of the FFT were combined, and the sequence to processor maps that reduce communication were used. The class of ordered transforms is expanded to include any FFT in which the order of the transform is the same as that of the input sequence. Two such orderings are examined, namely, standard-order and A-order which can be implemented with equal ease on the Connection Machine where orderings are determined by geometries and priorities. If the sequence has N = 2 exp r elements and the hypercube has P = 2 exp d processors, then a standard-order FFT can be implemented with d + r/2 + 1 parallel transmissions. An A-order sequence can be transformed with 2d - r/2 parallel transmissions which is r - d + 1 fewer than the standard order. A parallel method for computing the trigonometric coefficients is presented that does not use trigonometric functions or interprocessor communication. A performance of 0.9 GFLOPS was obtained for an A-order transform on the Connection Machine.

  17. Fourier transform optical profilometry using fiber optic Lloyd's mirrors.

    PubMed

    Kart, Türkay; Kösoğlu, Gülşen; Yüksel, Heba; İnci, Mehmet Naci

    2014-12-10

    A fiber optic Lloyd's mirror assembly is used to obtain various optical interference patterns for the detection of 3D rigid body shapes. Two types of fiber optic Lloyd's systems are used in this work. The first consists of a single-mode optical fiber and a highly reflecting flat mirror to produce bright and dark strips. The second is constructed by locating a single-mode optical fiber in a v-groove, which is formed by two orthogonal flat mirrors to allow the generation of square-type interference patterns for the desired applications. The structured light patterns formed by these two fiber Lloyd's techniques are projected onto 3D objects. Fringe patterns are deformed due to the object's surface topography, which are captured by a digital CCD camera and processed with a Fourier transform technique to accomplish 3D surface topography of the object. It is demonstrated that the fiber-optic Lloyd's technique proposed in this work is more compact, more stable, and easier to configure than other existing surface profilometry systems, since it does not include any high-cost optical tools such as aligners, couplers, or 3D stages. The fringe patterns are observed to be more robust against environmental disturbances such as ambient temperature and vibrations.

  18. Fourier transform infrared phase shift cavity ring down spectrometer

    NASA Astrophysics Data System (ADS)

    Schundler, Elizabeth; Mansur, David J.; Vaillancourt, Robert; Benedict-Gill, Ryan; Newbry, Scott P.; Engel, James R.; Dupuis, Julia Rentz

    2014-05-01

    OPTRA has developed a Fourier transform infrared phase shift cavity ring down spectrometer (FTIR-PS-CRDS) system under a U.S. EPA SBIR contract. This system uses the inherent wavelength-dependent modulation imposed by the FTIR on a broadband thermal source for the phase shift measurement. This spectrally-dependent phase shift is proportional to the spectrally-dependent ring down time. The spectral dependence of both of these values is introduced by the losses of the cavity including those due to the molecular absorption of the sample. OPTRA's approach allows broadband detection of chemicals across the feature-rich fingerprint region of the long-wave infrared. This represents a broadband and spectral range enhancement to conventional CRDS which is typically done at a single wavelength in the near IR; at the same time the approach is a sensitivity enhancement to traditional FTIR, owing to the long effective path of the resonant cavity. In previous papers1,2, OPTRA has presented a breadboard system aimed at demonstrating the feasibility of the approach and a prototype design implementing performance enhancements based on the results of breadboard testing. In this final paper in the series, we will present test results illustrating the realized performance of the fully assembled and integrated breadboard, thereby demonstrating the utility of the approach.

  19. Fourier transform infrared quantification of sugars in pretreated biomass liquors.

    PubMed

    Tucker, M P; Mitri, R K; Eddy, F P; Nguyen, Q A; Gedvilas, L M; Webb, J D

    2000-01-01

    The process of converting renewable lignocellulosic biomass to ethanol requires a number of steps, and pretreatment is one of the most important. Pretreatment usually involves a hydrolysis of the easily hydrolyzed hemi-cellulosic component of biomass using some form of thermal/chemical/mechanical action that results in a product that can be further hydrolyzed by cellulase enzymes (the cellulosic portion). The sugars produced can then be fermented to ethanol by fermentative microorganisms. If the pretreatment step is not severe enough, the resultant residue is not as easily hydrolyzed by the cellulase enzyme. More severe pretreatment conditions result in the production of degradation products that are toxic to the fermentative microorganism. In this article, we report the quantitative analysis of glucose, mannose, xylose, and acetic acid using Fourier transform infrared (FTIR) spectroscopy on liquors from dilute-acid-pretreated soft-wood and hard-wood slurries. Comparison of FTIR and high-performance liquid chromatography quantitative analyses of these liquors are reported. Recent developments in infrared probe technology has enabled the rapid quantification of these sugars by FTIR spectroscopy in the batch reactor during optimization of the pretreatment conditions, or interfaced to the computer controlling a continuous reactor for on-line monitoring and control.

  20. Spin Glass Field Theory with Replica Fourier Transforms

    NASA Astrophysics Data System (ADS)

    Pimentel, Iveta R.; De Dominicis, Cirano

    We develop a field theory for spin glasses using Replica Fourier Transforms (RFT). We present the formalism for the case of replica symmetry and the case of replica symmetry breaking on an ultrametric tree, with the number of replicas n and the number of replica symmetry breaking steps R generic integers. We show how the RFT applied to the two-replica fields allows to construct a new basis which block-diagonalizes the four-replica mass-matrix, into the replicon, anomalous and longitudinal modes. The eigenvalues are given in terms of the mass RFT and the propagators in the RFT space are obtained by inversion of the block-diagonal matrix. The formalism allows to express any i-replica vertex in the new RFT basis and hence enables to perform a standard perturbation expansion. We apply the formalism to calculate the contribution of the Gaussian fluctuations around the Parisi's solution for the free-energy of an Ising spin glass.

  1. Spin glass field theory with replica Fourier transforms

    NASA Astrophysics Data System (ADS)

    Pimentel, I. R.; De Dominicis, C.

    2014-11-01

    We develop a field theory for spin glasses using replica Fourier transforms (RFT). We present the formalism for the case of replica symmetry and the case of replica symmetry breaking on an ultrametric tree, with the number of replicas n and the number of replica symmetry breaking steps R generic integers. We show how the RFT applied to the two-replica fields allows one to construct a new basis which block-diagonalizes the four-replica mass-matrix, into the replicon, anomalous and longitudinal modes. The eigenvalues are given in terms of the mass RFT and the propagators in the RFT space are obtained by inversion of the block-diagonal matrix. The formalism allows one to express any i-replica vertex in the new RFT basis and hence enables one to perform a standard perturbation expansion. We apply the formalism to calculate the contribution of the Gaussian fluctuations around the Parisi solution for the free-energy of an Ising spin glass.

  2. Applications of the VUV Fourier Transform Spectrometer at Synchrotron Soleil

    NASA Astrophysics Data System (ADS)

    de Oliveira, Nelson; Joyeux, Denis; Ito, Kenji; Gans, Berenger; Nahon, Laurent

    2015-06-01

    Fourier transform spectrometers (FTS) are usually based upon amplitude division interferometers through beamsplitters (BS) as in the Michelson interferometer geometry. However, the manufacture of broadband BS is difficult and even impossible in the far VUV (below λ = 140 nm). We therefore conceived an instrument based upon an original design involving only reflective plane surfaces, giving access to the whole VUV range without the restrictions associated with BS. The VUV- FTS is a permanent endstation connected to one of the three experimental branches of the DESIRS beamline and devoted to high resolution photoabsorption in the UV-VUV spectral range, typically between λ = 300 and 40 nm Since 2008, a large international community of users interested in laboratory measurements with applications in astrophysics, molecular physics or planetary atmospheres has been attracted by the VUV - FTS capabilities including its efficiency in terms of signal to noise ratio, even when high spectral resolution was not an issue. A large number of dedicated gas phase sample environments have been developed including a windowless cell that can be cooled down, a heated windowless cell, a free molecular jet set-up and various windowed cells. Besides, a new discharge gas cell for production and study of transient species gave recently its first results. As an illustration, the VUV absorption spectrum of the CH_3 radical down to 140 nm will be shown in this presentation. Nahon et al., J. Synchrotron Radiat., 19, 508(2012) De Oliveira et al., Nat. Photonics, 5, 149(2011)

  3. Fourier transform infrared spectroscopic analysis of cell differentiation

    NASA Astrophysics Data System (ADS)

    Ishii, Katsunori; Kimura, Akinori; Kushibiki, Toshihiro; Awazu, Kunio

    2007-02-01

    Stem cells and its differentiations have got a lot of attentions in regenerative medicine. The process of differentiations, the formation of tissues, has become better understood by the study using a lot of cell types progressively. These studies of cells and tissue dynamics at molecular levels are carried out through various approaches like histochemical methods, application of molecular biology and immunology. However, in case of using regenerative sources (cells, tissues and biomaterials etc.) clinically, they are measured and quality-controlled by non-invasive methods from the view point of safety. Recently, the use of Fourier Transform Infrared spectroscopy (FT-IR) has been used to monitor biochemical changes in cells, and has gained considerable importance. The objective of this study is to establish the infrared spectroscopy of cell differentiation as a quality control of cell sources for regenerative medicine. In the present study, as a basic study, we examined the adipose differentiation kinetics of preadipocyte (3T3-L1) and the osteoblast differentiation kinetics of bone marrow mesenchymal stem cells (Kusa-A1) to analyze the infrared absorption spectra. As a result, we achieved to analyze the adipose differentiation kinetics using the infrared absorption peak at 1739 cm-1 derived from ester bonds of triglyceride and osteoblast differentiation kinetics using the infrared absorption peak at 1030 cm-1 derived from phosphate groups of calcium phosphate.

  4. Liquid chromatography/Fourier transform IR spectrometry interface flow cell

    DOEpatents

    Johnson, Charles C.; Taylor, Larry T.

    1986-01-01

    A zero dead volume (ZDV) microbore high performance liquid chromatography (.mu.HPLC)/Fourier transform infrared (FTIR) interface flow cell includes an IR transparent crystal having a small diameter bore therein through which a sample liquid is passed. The interface flow cell further includes a metal holder in combination with a pair of inner, compressible seals for directly coupling the thus configured spectrometric flow cell to the outlet of a .mu.HPLC column end fitting to minimize the transfer volume of the effluents exiting the .mu.HPLC column which exhibit excellent flow characteristics due to the essentially unencumbered, open-flow design. The IR beam passes transverse to the sample flow through the circular bore within the IR transparent crystal, which is preferably comprised of potassium bromide (KBr) or calcium fluoride (CaF.sub.2), so as to minimize interference patterns and vignetting encountered in conventional parallel-plate IR cells. The long IR beam pathlength and lensing effect of the circular cross-section of the sample volume in combination with the refractive index differences between the solvent and the transparent crystal serve to focus the IR beam in enhancing sample detection sensitivity by an order of magnitude.

  5. Large Molecule Structures by Broadband Fourier Transform Molecular Rotational Spectroscopy

    NASA Astrophysics Data System (ADS)

    Evangelisti, Luca; Seifert, Nathan A.; Spada, Lorenzo; Pate, Brooks

    2016-06-01

    Fourier transform molecular rotational resonance spectroscopy (FT-MRR) using pulsed jet molecular beam sources is a high-resolution spectroscopy technique that can be used for chiral analysis of molecules with multiple chiral centers. The sensitivity of the molecular rotational spectrum pattern to small changes in the three dimensional structure makes it possible to identify diastereomers without prior chemical separation. For larger molecules, there is the additional challenge that different conformations of each diastereomer may be present and these need to be differentiated from the diastereomers in the spectral analysis. Broadband rotational spectra of several larger molecules have been measured using a chirped-pulse FT-MRR spectrometer. Measurements of nootkatone (C15H22O), cedrol (C15H26O), ambroxide (C16H28O) and sclareolide (C16H26O2) are presented. These spectra are measured with high sensitivity (signal-to-noise ratio near 1,000:1) and permit structure determination of the most populated isomers using isotopic analysis of the 13C and 18O isotopologues in natural abundance. The accuracy of quantum chemistry calculations to identify diastereomers and conformers and to predict the dipole moment properties needed for three wave mixing measurements is examined.

  6. Two-dimensional chirped-pulse Fourier transform microwave spectroscopy.

    PubMed

    Wilcox, David S; Hotopp, Kelly M; Dian, Brian C

    2011-08-18

    Two-dimensional (2D) correlation techniques are developed for chirped-pulse Fourier transform microwave (CP-FTMW) spectroscopy. The broadband nature of the spectrometer coupled with fast digital electronics permits the generation of arbitrary pulse sequences and simultaneous detection of the 8-18 GHz region of the microwave spectrum. This significantly increases the number of rotation transitions that can be simultaneously probed, as well as the bandwidth in both frequency dimensions. We theoretically and experimentally evaluate coherence transfer of three- and four-level systems to relate the method with previous studies. We then extend the principles of single-quantum and autocorrelation to incorporate broadband excitation and detection. Global connectivity of the rotational energy level structure is demonstrated through the transfer of multiple coherences in a single 2D experiment. Additionally, open-system effects are observed from irradiating many-level systems. Quadrature detection in the indirectly measured frequency dimension and phase cycling are also adapted for 2D CP-FTMW spectroscopy.

  7. Fourier-Transform Microwave Spectroscopy of HCCNSi and NCNSi

    NASA Astrophysics Data System (ADS)

    Thorwirth, S.; Kaiser, R. I.; McCarthy, M. C.; Crabtree, K. N.; Martinez, O., Jr.

    2013-06-01

    By means of Fourier transform microwave spectroscopy of a supersonic jet, the pure rotational spectra of the silicon-bearing chain molecules silaisocyanoacetylene, HCCNSi, and cyanosilaisocyanide, NCNSi, have been studied for the first time. The molecules were observed in low-current dc discharges through appropriate gas mixtures comprising CH_3CN/SiH_4 and cyanogen/SiH_4 heavily diluted in neon. Spectroscopic searches and identification were based on predictions from high-level quantum-chemical calculations at the CCSD(T) level of theory in combination with large basis sets. Excellent agreement between experimental and calculated molecular parameters is found. In addition to the parent isotopic species, rotational lines of rare isotopologs were also observed. Because of the close relationship of these two species to known astronomical molecules and due to their sizable dipole moments of μ=1.4 D (HCCNSi) and μ=5.4 D (NCNSi) both are plausible targets for future astronomical searches using large radio telescopes.

  8. SAR-based vibrometry using the fractional Fourier transform

    NASA Astrophysics Data System (ADS)

    Campbell, Justin B.; Wang, Qi; Ade-Bello, Jelili; Caudana, Humberto; Trujillo, Nicole B.; Bhatta, Ishwor; Dunkel, Ralf; Atwood, Thomas; Doerry, Armin; Gerstle, Walter H.; Santhanam, Balu; Hayat, Majeed M.

    2015-05-01

    A fundamental assumption when applying Synthetic Aperture Radar (SAR) to a ground scene is that all targets are motionless. If a target is not stationary, but instead vibrating in the scene, it will introduce a non-stationary phase modulation, termed the micro-Doppler effect, into the returned SAR signals. Previously, the authors proposed a pseudosubspace method, a modification to the Discrete Fractional Fourier Transform (DFRFT), which demonstrated success for estimating the instantaneous accelerations of vibrating objects. However, this method may not yield reliable results when clutter in the SAR image is strong. Simulations and experimental results have shown that the DFRFT method can yield reliable results when the signal-to-clutter ratio (SCR) > 8 dB. Here, we provide the capability to determine a target's frequency and amplitude in a low SCR environment by presenting two methods that can perform vibration estimations when SCR < 3 dB. The first method is a variation and continuation of the subspace approach proposed previously in conjunction with the DFRFT. In the second method, we employ the dual-beam SAR collection architecture combined with the extended Kalman filter (EKF) to extract information from the returned SAR signals about the vibrating target. We also show the potential for extending this SAR-based capability to remotely detect and classify objects housed inside buildings or other cover based on knowing the location of vibrations as well as the vibration histories of the vibrating structures that house the vibrating objects.

  9. Picolinic and isonicotinic acids: a Fourier transform microwave spectroscopy study.

    PubMed

    Peña, Isabel; Varela, Marcelino; Franco, Vanina G; López, Juan C; Cabezas, Carlos; Alonso, José L

    2014-12-04

    The rotational spectra of laser ablated picolinic and isonicotinic acids have been studied using broadband chirped pulse (CP-FTMW) and narrowband molecular beam (MB-FTMW) Fourier transform microwave spectroscopies. Two conformers of picolinic acid, s-cis-I and s-cis-II, and one conformer of isonicotinic acid have been identified through the analysis of their rotational spectra. The values of the inertial defect and the quadrupole coupling constants obtained for the most stable s-cis-I conformer of picolinic acid, evidence the formation of an O-H···N hydrogen bond between the acid group and the endocyclic N atom. The stabilization provided by this hydrogen bond compensates the destabilization energy due to the adoption of a -COOH trans configuration in this conformer. Its rs structure has been derived from the rotational spectra of several (13)C, (15)N, and (18)O species observed in their natural abundances. Mesomeric effects have been revealed by comparing the experimental values of the (14)N nuclear quadrupole coupling constants in the isomeric series of picolinic, isonicotinic, and nicotinic acids.

  10. Adulteration identification in raw milk using Fourier transform infrared spectroscopy.

    PubMed

    Coitinho, Tatiane Barbosa; Cassoli, Laerte Dagher; Cerqueira, Pedro Henrique Ramos; da Silva, Helen Krystine; Coitinho, Juliana Barbosa; Machado, Paulo Fernando

    2017-07-01

    Adulteration of milk is a common practice that concerns regulatory agencies, industry, and the population. Despite the growing need for checking adulteration, the current methods employed generally have low performance and are highly dependent on manual labor. This study aims to calibrate and validate a compact equipment (MilkoScan FT1) that adopts a Fourier transform infrared spectroscopy methodology to monitor adulteration in raw milk. Almost 2500 milk samples were used for reference spectrum construction and 1650 samples were used to validate the identification of the following five most commonly used adulterants (at three different concentrations each): (1) cornstarch, (2) sodium bicarbonate, (3) sodium citrate, (4) formaldehyde, and (5) saccharose, plus the additions of two levels of water or whey. To define the calibration with the best performance in milk adulteration identification, 12 calibrations involving 8, 10, 12, 14, 16, or 18 factors, with one or two outlier eliminations, were developed. The results of sensitivity and specificity analyses, as well as Kruskal-Wallis and Dunn multiple comparison tests, revealed that the calibration that best identified the adulterants was the one involving 14 factors, with a single elimination of outliers, exhibiting for all adulterants simultaneously, 84% sensitivity and 100% specificity. The calibration showed excellent sensitivity to cornstarch (>98%), sodium bicarbonate (100%), sodium citrate (99%), and formaldehyde (>84%), indicating that this calibration has good capacity for adulteration detection. Thus, this methodology is a viable option for the dairy industry to identify adulteration of raw milk.

  11. Quantitative flash pyrolysis Fourier transform infrared spectroscopy of organic materials.

    PubMed

    Court, Richard W; Sephton, Mark A

    2009-04-20

    Thermal degradation is a common technique used to investigate the nature of organic materials. However, existing methods for the Fourier transform infrared (FTIR) identification and quantification of volatile products from the thermal degradation of organic materials are limited to the technique of thermogravimetric analysis (TGA)-FTIR, which utilizes relatively low heating rates. However, the thermal degradation products of organic materials are known to vary depending on the rate of heating, with lower heating rates of biomass associated with increased yields of solid char and decreased yields of volatiles, as well as a greater opportunity for secondary reactions between the residue and the pyrolysis products. Hence, it is difficult to relate the products of organic matter thermally degraded at <100 degrees C min(-1) in TGA to the products of flash pyrolysis at up to 20,000 degrees C s(-1). We have developed and applied a novel methodology for quantitative flash pyrolysis-FTIR analysis of the volatile pyrolysis products of organic-rich materials. Calibration curves of water, carbon dioxide and methane have been constructed and used to determine absolute volatile release from wood (ash, Lat. Fraxinus). This technique is quicker and simpler than comparable pyrolysis-gas chromatography-mass spectrometry techniques, and avoids errors associated with the lower rates of temperature increase associated with techniques such as thermogravimetric analysis.

  12. Liquid chromatography/Fourier transform IR spectrometry interface flow cell

    DOEpatents

    Johnson, C.C.; Taylor, L.T.

    1985-01-04

    A zero dead volume (ZDV) microbore high performance liquid chromatography (..mu.. HPLC)/Fourier transform infrared (FTIR) interface flow cell includes an IR transparent crystal having a small diameter bore therein through which a sample liquid is passed. The interface flow cell further includes a metal holder in combination with a pair of inner, compressible seals for directly coupling the thus configured spectrometric flow cell to the outlet of a ..mu.. HPLC column end fitting to minimize the transfer volume of the effluents exiting the ..mu.. HPLC column which exhibit excellent flow characteristics due to the essentially unencumbered, open-flow design. The IR beam passes transverse to the sample flow through the circular bore within the IR transparent crystal, which is preferably comprised of potassium bromide (KBr) or calcium fluoride (CaF/sub 2/), so as to minimize interference patterns and vignetting encountered in conventional parallel-plate IR cells. The long IR beam pathlength and lensing effect of the circular cross-section of the sample volume in combination with the refractive index differences between the solvent and the transparent crystal serve to focus the IR beam in enhancing sample detection sensitivity by an order of magnitude.

  13. Fourier Transform Microwave and Infrared Spectroscopic Investigation of Propiolactone

    NASA Astrophysics Data System (ADS)

    Chen, Ziqiu; van Wijngaarden, Jennifer

    2009-06-01

    The pure rotational spectrum of the four-membered ester ring propiolactone (C{_3}H{_4}O{_2}) has been measured in a supersonic jet between 7 and 22 GHz using Fourier transform microwave (FTMW) spectroscopy. For the normal isotopologue, a total of 19 a- and b-type transitions have been recorded. Fifteen transitions due to three different ^{13}C isotopologues have also been observed. The microwave spectrum was analyzed to obtain an improved set of ground state rotational constants in comparison to earlier microwave experiments. The new set of rotational parameters was used to predict the rovibrational band structure of the lowest frequency modes of propiolactone. A total of 12 vibrational band origins have been observed between 400 and 1500 cm^{-1} using the far infrared beamline of the Canadian Light Source coupled to a Bruker IFS125HR spectrometer. The spectra were recorded with a resolution of 0.000969 cm^{-1} and although the intensities of the bands vary, 9 bands are of sufficient quality for complete rovibrational assignment. The progress of the assignment of this rich spectrum will be discussed. D. W. Boone, C O. Britt and J. E. Boggs J. Chem. Phys. 43 (1190), 1965.

  14. Geosynchronous Imaging Fourier Transform Spectrometer (GIFTS): Imaging and Tracking Capability

    NASA Technical Reports Server (NTRS)

    Zhou, D. K.; Larar, A. M.; Liu, Xu; Reisse, R. A.; Smith, W. L.; Revercomb, H. E.; Bingham, G. E.; Zollinger, L. J.; Tansock, J. J.; Huppi, Ronald J.

    2007-01-01

    The geosynchronous-imaging Fourier transform spectrometer (GIFTS) engineering demonstration unit (EDU) is an imaging infrared spectrometer designed for atmospheric soundings. It measures the infrared spectrum in two spectral bands (14.6 to 8.8 microns, 6.0 to 4.4 microns) using two 128 128 detector arrays with a spectral resolution of 0.57/cm with a scan duration of approx. 11 seconds. From a geosynchronous orbit, the instrument will have the capability of taking successive measurements of such data to scan desired regions of the globe, from which atmospheric status, cloud parameters, wind field profiles, and other derived products can be retrieved. The GIFTS EDU provides a flexible and accurate testbed for the new challenges of the emerging hyperspectral era. The EDU ground-based measurement experiment, held in Logan, Utah during September 2006, demonstrated its extensive capabilities and potential for geosynchronous and other applications (e.g., Earth observing environmental measurements). This paper addresses the experiment objectives and overall performance of the sensor system with a focus on the GIFTS EDU imaging capability and proof of the GIFTS measurement concept.

  15. Fourier transform spectrometer for Greenhouse Gases Observing Satellite (GOSAT)

    NASA Astrophysics Data System (ADS)

    Hamazaki, Takashi; Kaneko, Yutaka; Kuze, Akihiko; Kondo, Kayoko

    2005-01-01

    Global warming has become a very serious issue for human beings. In 1997, the Kyoto Protocol was adopted at the Third Session of the Conference of the Parties to the United Nations Framework Convention on Climate Change (COP3), making it mandatory for developed nations to reduce carbon dioxide emissions by six (6) to eight (8) per cent of their total emissions in 1990, and to meet this goal sometime between 2008 and 2012. The Greenhouse gases Observing SATellite (GOSAT) is designed to monitor the global distribution of carbon dioxide (CO2) from the space. GOSAT is a joint project of Japan Aerospace Exploration Agency (JAXA), the Ministry of Environment (MOE), and the National Institute for Environmental Studies (NIES). JAXA is responsible for the satellite and instrument development, MOE is involved in the instrument development, and NIES is responsible for the satellite data retrieval. The satellite is scheduled to be launched in 2008. In order to detect the CO2 variation of boundary layers, both the technique to measure the column density and the retrieval algorithm to remove cloud and aerosol contamination are investigated. Main mission sensor of the GOSAT is a Fourier Transform Spectrometer with high optical throughput, spectral resolution and wide spectral coverage, and a cloud-aerosol detecting imager attached to the satellite. The paper presents the mission sensor system of the GOSAT together with the results of performance demonstration with proto-type instrument aboard an aircraft.

  16. Adaptive chirp-Fourier transform for chirp estimation with applications in ISAR imaging of maneuvering targets

    NASA Astrophysics Data System (ADS)

    Xia, Xiang-Gen; Wang, Genyuan; Chen, Victor C.

    2001-03-01

    This paper first reviews some basic properties of the discrete chirp-Fourier transform and then present an adaptive chirp- Fourier transform, a generalization of the amplitude and phase estimation of sinusoids (APES) algorithm proposed by Li and Stoica for sinusoidal signals. We finally applied it to the ISAR imaging of maneuvering targets.

  17. A new hybrid algorithm for computing a fast discrete Fourier transform

    NASA Technical Reports Server (NTRS)

    Reed, I. S.; Truong, T. K.

    1978-01-01

    For certain long transform lengths, Winograd's algorithm for computing the discrete Fourier transform is extended considerably. This is accomplished by performing the cyclic convolution, required by Winograd's method, with the Mersenne-prime number theoretic transform. This new algorithm requires fewer multiplications than either the standard fast Fourier transform or Winograd's more conventional algorithm.

  18. A Short Biography of Joseph Fourier and Historical Development of Fourier Series and Fourier Transforms

    ERIC Educational Resources Information Center

    Debnath, Lokenath

    2012-01-01

    This article deals with a brief biographical sketch of Joseph Fourier, his first celebrated work on analytical theory of heat, his first great discovery of Fourier series and Fourier transforms. Included is a historical development of Fourier series and Fourier transforms with their properties, importance and applications. Special emphasis is made…

  19. A Short Biography of Joseph Fourier and Historical Development of Fourier Series and Fourier Transforms

    ERIC Educational Resources Information Center

    Debnath, Lokenath

    2012-01-01

    This article deals with a brief biographical sketch of Joseph Fourier, his first celebrated work on analytical theory of heat, his first great discovery of Fourier series and Fourier transforms. Included is a historical development of Fourier series and Fourier transforms with their properties, importance and applications. Special emphasis is made…

  20. Practical aspects of Fourier transform and correlation based processing of spectrochemical data

    NASA Astrophysics Data System (ADS)

    Ng, R. C. L.; Horlick, Gary

    Fourier transform based signal processing methods are beginning to be widely used for the treatment of spectrochemical data. The most common approach to Fourier transformation is through the utilization of the so called Fast Fourier Transform algorithm or FFT as it is usually designated. However, several versions of the FFT abound in the literature and in program libraries and many subtleties exist with respect to data pre-treatment, data post-treatment, inverse Fourier transformation and manipulation of real and imaginary arrays that can cause considerable grief to the uninitiated. In this presentation numerous examples will be presented illustrating several practical aspects of implementing FFT's and cross-correlations (Fourier transform route) on spectrochemical data sets. Particular attention is paid to the manipulation to the input and output real and imaginary arrays.

  1. Missing texture reconstruction method based on error reduction algorithm using Fourier transform magnitude estimation scheme.

    PubMed

    Ogawa, Takahiro; Haseyama, Miki

    2013-03-01

    A missing texture reconstruction method based on an error reduction (ER) algorithm, including a novel estimation scheme of Fourier transform magnitudes is presented in this brief. In our method, Fourier transform magnitude is estimated for a target patch including missing areas, and the missing intensities are estimated by retrieving its phase based on the ER algorithm. Specifically, by monitoring errors converged in the ER algorithm, known patches whose Fourier transform magnitudes are similar to that of the target patch are selected from the target image. In the second approach, the Fourier transform magnitude of the target patch is estimated from those of the selected known patches and their corresponding errors. Consequently, by using the ER algorithm, we can estimate both the Fourier transform magnitudes and phases to reconstruct the missing areas.

  2. Precise and fast spatial-frequency analysis using the iterative local Fourier transform.

    PubMed

    Lee, Sukmock; Choi, Heejoo; Kim, Dae Wook

    2016-09-19

    The use of the discrete Fourier transform has decreased since the introduction of the fast Fourier transform (fFT), which is a numerically efficient computing process. This paper presents the iterative local Fourier transform (ilFT), a set of new processing algorithms that iteratively apply the discrete Fourier transform within a local and optimal frequency domain. The new technique achieves 210 times higher frequency resolution than the fFT within a comparable computation time. The method's superb computing efficiency, high resolution, spectrum zoom-in capability, and overall performance are evaluated and compared to other advanced high-resolution Fourier transform techniques, such as the fFT combined with several fitting methods. The effectiveness of the ilFT is demonstrated through the data analysis of a set of Talbot self-images (1280 × 1024 pixels) obtained with an experimental setup using grating in a diverging beam produced by a coherent point source.

  3. Matrix-assisted laser desorption fourier transform mass spectrometry for biological compounds

    SciTech Connect

    Hettich, R.; Buchanan, M.

    1990-01-01

    The recent development of matrix-assisted UV laser desorption (LD) mass spectrometry has made possible the ionization and detection of extremely large molecules (with molecular weights exceeding 100,000 Daltons). This technique has generated enormous interest in the biological community for the direct examination of large peptides and oligonucleotides. Although this matrix-assisted ionization method has been developed and used almost exclusively with time-of-flight (TOF) mass spectrometers, research is currently in progress to demonstrate this technique with trapped ion mass spectrometers, such as Fourier transform ion cyclotron resonance mass spectrometry (FTMS). The potential capabilities of FTMS for wide mass range, high resolution measurement, and ion trapping experiments suggest that this instrumental technique should be useful for the detailed structural characterization of large ions generated by the matrix-assisted technique. We have recently demonstrated that matrix-assisted ultraviolet laser desorption can be successfully used with FTMS for the ionization of small peptides. The objective of this report is to summarize the application and current limitations of matrix-assisted laser desorption FTMS for the characterization of peptides and oligonucleotides at the isomeric level. 4 refs., 3 figs., 2 tabs.

  4. [Biological Process Oriented Online Fourier Transform Infrared Spectrometer].

    PubMed

    Xie, Fei; Wu, Qiong-shui; Zeng, Li-bo

    2015-08-01

    An online Fourier Transform Infrared Spectrometer and an ATR (Attenuated Total Reflection) probe, specifically at the application of real time measurement of the reaction substrate concentration in biological processes, were designed. (1) The spectrometer combined the theories of double cube-corner reflectors and flat mirror, which created a kind of high performance interferometer system. The light path folding way was utilized to makes the interferometer compact structure. Adopting double cube-corner reflectors, greatly reduces the influence of factors in the process of moving mirror movement such as rotation, tilt, etc. The parallelogram oscillation flexible support device was utilized to support the moving mirror moves. It cancelled the friction and vibration during mirror moving, and ensures the smooth operation. The ZnSe splitter significantly improved the hardware reliability in high moisture environment. The method of 60° entrance to light splitter improves the luminous flux. (2) An ATR in situ measuring probe with simple structure, large-flux, economical and practical character was designed in this article. The transmission of incident light and the light output utilized the infrared pipe with large diameter and innerplanted-high plating membrane, which conducted for the infrared transmission media of ATR probe. It greatly reduced the energy loss of infrared light after multiple reflection on the inner wall of the light pipe. Therefore, the ATR probe obtained high flux, improved the signal strength, which make the signal detected easily. Finally, the high sensitivity of MCT (Mercury Cadmium Telluride) detector was utilized to realize infrared interference signal collection, and improved the data quality of detection. The test results showed that the system yields the advantages of perfect moisture-proof performance, luminous flux, online measurement, etc. The designed online Fourier infrared spectrometer can real-time measured common reactant substrates

  5. Fourier transform Raman lidar for trace gas detection and quantification

    SciTech Connect

    Sentell, J.C.

    1994-12-31

    The Raman technique, while a valuable tool in chemical and combustion research, is limited in many remote sensing applications because of the low Raman scattering cross-section, which may be three to five orders of magnitude below the Rayleigh (elastic) values. Two concepts for increasing the signal level are discussed. First, use a range-gated Fourier transform spectrometer to increase the system throughput and allow multiplexing advantages. The spectrum is obtained by performing a FFT on the resulting interferogram. Second, since the cross section goes as the fourth power of the optical frequency, use ultra-violet laser illumination, and separate the resulting fluorescence radiation by placing a known dispersion on the transmitted waveform. The techniques for achieving this function, and the mathematical formulation for the phase-modulated auto-correlation which result, are not evaluated in this paper. However, the approach does not appreciably lower the available resolution because the limits are imposed by the sampling function inherent to the finite-duration Michelson mirror scan. A conceptual design using a long-pulse, flashlamp-pumped dye laser is shown, and typical performance equations in the detection of Freon 12, CCl{sub 2}F{sub 2}, are presented. For a one joule laser and a thirty (30) cm aperture operating in darkness, a concentration of 10{sup 23} molecules/m{sup 3} can be detected in a 60 km visibility at a range of 3.4 km. Much greater performance is obtained against molecules exhibiting the resonance Raman effect, such as nitrogen dioxide.

  6. Libyan Desert Glass: New field and Fourier transform infrared data

    NASA Astrophysics Data System (ADS)

    Fröhlich, F.; Poupeau, G.; Badou, A.; Le Bourdonnec, F. X.; Sacquin, Y.; Dubernet, S.; Bardintzeff, J. M.; Véran, M.; Smith, D. C.; Diemer, E.

    2013-12-01

    Results are presented of new geological observations and laboratory analyses on Libyan Desert Glass (LDG), a unique kind of impact glass found in Egypt, probably 28.5-29.4 million years in age. A new LDG occurrence has been discovered some 50 km southward of the main LDG occurrences in the Great Sand Sea. From Fourier transform infrared (FTIR) analysis, the molecular structure of LDG is refined and significant differences are shown between LDG specimens and other pure silica glasses (fulgurite, industrial fused quartz, and amorphous biogenic silica) that are related to differences in their structures. The slight variations observed here for the mean Si-O-Si angle between the different glasses are attributed to their thermal histories. With regard to the other glasses analyzed, the LDG infrared spectral parameters point to a higher ratio of discontinuities and defects in the tetrahedral (SiO4) network. The quantitative mineralogical constitutions of sandstones and quartzites from the LDG geological setting were analyzed by FTIR. Cretaceous sandstones have a specific composition (about 90 wt% quartz, 10% dickite), clearly different from the Paleozoic ones (about 90 wt% quartz, but ≥7% kaolinite). It is shown that the reddish silts bearing the LDG are constituted mainly of microquartz enriched with dickite, whose particle size distribution is characteristic of fluvio-lacustrine deposits, probably Oligocene to Miocene in age. The target rocks, most probably quartz sand, resulted from the weathering (loss of the cementing microquartz) of the Cretaceous sandstones from the Gilf Khebir Plateau with deposition in a high-energy environment.

  7. Fourier Transform Spectrometer measurements of Atmospheric Carbon Dioxide and Methane

    NASA Astrophysics Data System (ADS)

    Kivi, Rigel; Heikkinen, Pauli; Chen, Huilin; Hatakka, Juha; Laurila, Tuomas

    2016-04-01

    Ground based remote sensing measurements of column CO2 and CH4 using Fourier Transform Spectrometers (FTS) within the Total Carbon Column Observing Network (TCCON) are known for high precision and accuracy. These measurements are performed at various locations globally and they have been widely used in carbon cycle studies and validation of space born measurements. The relevant satellite missions include the Orbiting Carbon Observatory-2 (OCO-2) by the National Aeronautics and Space Administration (NASA); the SCanning Imaging Absorption SpectroMeter for Atmospheric CHartographY (SCIAMACHY) by the European Space Agency (ESA); the Greenhouse gases Observing SATellite (GOSAT) by the Japan Aerospace Exploration Agency (JAXA) and the upcoming Sentinel-5 Precursor mission, which is an ESA mission and scheduled for launch in 2016. Results of the column CO2 and CH4 measurements at Sodankylä in northern Finland (at 67.4° N, 26.6° E) are reported in this study. The measurements have been performed on regular basis since the beginning of the program in early 2009. We also present evaluation of the data quality of the ground based measurements and comparisons with the available satellite based retrievals. In case of comparisons between the GOSAT and ground based retrievals of CO2 and CH4 no significant biases were found. Sodankylä is one of the northernmost stations in the TCCON network. However, the data coverage has been relatively good thanks to the progress towards automation of the FTS measurement system. At Sodankylä the retrievals have been also compared with the balloon borne AirCore measurements at the site. AirCore sampling system is directly related to the World Meteorological Organization in situ trace gas measurement scales. The balloon platform allows sampling in both stratosphere and troposphere, which is a benefit, compared to the aircraft in situ measurements.

  8. Fractional Fourier Transform Applied to Digital Images Encryption

    NASA Astrophysics Data System (ADS)

    Vilardy, Juan M.; Torres, Cesar O.; Mattos, Lorenzo

    2008-04-01

    In the present paper a digital algorithm was developed to make phase encryption of digital indexed images to color using the fractional Fourier transform (the images in RGB are converted to indexed before to encrypt). The indexed images are represented by a matrix of M×N pixels (where M defines the height and N is the Width of the image) and a color map (it's a matrix of C×3 elements, where C indicates the colors number of the image and the number 3 indicates the three columns associated with the color components: Red, Green and Blue of each pixel of the matrix of M×N) associated to the matrix of pixels to suitably represent the color information of the image. The indexed image (matrix of M×N pixels) to encrypt is placed as the phase of a complex exponential, then is transformed three times and multiplied in intermediate steps by two random phase masks statistically independent thus to obtain the encrypted image, for decrypt the coding image the encryption procedure is applied in the inverse sense to the conjugated complex of the encrypted image, then is taken the negative of the phase of the resulting function of the decryption process and the original image is obtained this way that had been encrypted; For the color map equal procedure is applied in the encryption/decryption process described previously for the matrix of M×N pixels. In the implemented cryptographic algorithm five keys are used, constituted by three fractional orders and two random phase masks, all these keys are necessary for a correct decryption providing a dependability to the transference of images by means of the communications nets.

  9. Fourier transform infrared spectroscopy for molecular analysis of microbial cells.

    PubMed

    Ojeda, Jesús J; Dittrich, Maria

    2012-01-01

    A rapid and inexpensive method to characterise chemical cell properties and identify the functional groups present in the cell wall is Fourier transform infrared spectroscopy (FTIR). Infrared spectroscopy is a well-established technique to identify functional groups in organic molecules based on their vibration modes at different infrared wave numbers. The presence or absence of functional groups, their protonation states, or any changes due to new interactions can be monitored by analysing the position and intensity of the different infrared absorption bands. Additionally, infrared spectroscopy is non-destructive and can be used to monitor the chemistry of living cells. Despite the complexity of the spectra, the elucidation of functional groups on Gram-negative and Gram-positive bacteria has been already well documented in the literature. Recent advances in detector sensitivity have allowed the use of micro-FTIR spectroscopy as an important analytical tool to analyse biofilm samples without the need of previous treatment. Using FTIR spectroscopy, the infrared bands corresponding to proteins, lipids, polysaccharides, polyphosphate groups, and other carbohydrate functional groups on the bacterial cells can now be identified and compared along different conditions. Despite some differences in FTIR spectra among bacterial strains, experimental conditions, or changes in microbiological parameters, the IR absorption bands between approximately 4,000 and 400 cm(-1) are mainly due to fundamental vibrational modes and can often be assigned to the same particular functional groups. In this chapter, an overview covering the different sample preparation protocols for infrared analysis of bacterial cells is given, alongside the basic principles of the technique, the procedures for calculating vibrational frequencies based on simple harmonic motion, and the advantages and disadvantages of FTIR spectroscopy for the analysis of microorganisms.

  10. Geostationary Imaging Fourier Transform Spectrometer (GIFTS): science applications

    NASA Astrophysics Data System (ADS)

    Smith, W. L.; Revercomb, H. E.; Zhou, D. K.; Bingham, G. E.; Feltz, W. F.; Huang, H. L.; Knuteson, R. O.; Larar, A. M.; Liu, X.; Reisse, R.; Tobin, D. C.

    2006-12-01

    A revolutionary satellite weather forecasting instrument, called the "GIFTS" which stands for the "Geostationary Imaging Fourier Transform Spectrometer", was recently completed and successfully tested in a space chamber at the Utah State University's Space Dynamics Laboratory. The GIFTS was originally proposed by the NASA Langley Research Center, the University of Wisconsin, and the Utah State University and selected for flight demonstration as NASA's New Millennium Program (NMP) Earth Observing-3 (EO-3) mission, which was unfortunately cancelled in 2004. GIFTS is like a digital 3-d movie camera that, when mounted on a geostationary satellite, would provide from space a revolutionary four-dimensional view of the Earth's atmosphere. GIFTS will measure the distribution, change, and movement of atmospheric moisture, temperature, and certain pollutant gases, such as carbon monoxide and ozone. The observation of the convergence of invisible water vapor, and the change of atmospheric temperature, provides meteorologists with the observations needed to predict where, and when, severe thunderstorms, and possibly tornados, would occur, before they are visible on radar or in satellite cloud imagery. The ability of GIFTS to observe the motion of moisture and clouds at different altitudes enables atmospheric winds to be observed over vast, and otherwise data sparse, oceanic regions of the globe. These wind observations would provide the means to greatly improve the forecast of where tropical storms and hurricanes will move and where and when they will come ashore (i.e., their landfall position and time). GIFTS, if flown into geostationary orbit, would provide about 80,000 vertical profiles per minute, each one like a low vertical resolution (1-2km) weather balloon sounding, but with a spacing of 4 km. GIFTS is a revolutionary atmospheric sensing tool. A glimpse of the science measurement capabilities of GIFTS is provided through airborne measurements with the NPOESS Airborne

  11. Authentication of yerba mate according to the country of origin by using Fourier transform infrared (FTIR) associated with chemometrics.

    PubMed

    Marcelo, Marcelo C A; Pozebon, Dirce; Ferrão, Marco F

    2015-01-01

    This study deals with the development of a method for classification of yerba mate (Ilex paraguariensis) using attenuated total-reflectance Fourier transform infrared (ATR-FTIR) and multivariate analysis. Fifty-four brands of yerba mate from southern South America were analysed in order to classify the commercialised yerba mate according to the respective country of yerba mate processing. The yerba mate was ground in a cryogenic mill, and the reflectance was directly measured in the region ranging from 4000 to 650 cm(-1). Different pre-processing algorithms and three methods of multivariate analysis were investigated, including principal component analysis (PCA), partial least square discriminant analysis (PLS-DA) and support vector machine discriminant analysis (SVM-DA). The yerba mate classification was 100% correct when the reflectance spectra were pre-treated (derived at first order, normalised by standard normal variation, smoothed and mean centred) and analysed using the SVM-DA method.

  12. A cryogenic test facility

    NASA Astrophysics Data System (ADS)

    Veenendaal, Ian

    The next generation, space-borne instruments for far infrared spectroscopy will utilize large diameter, cryogenically cooled telescopes in order to achieve unprecedented sensitivities. Low background, ground-based cryogenic facilities are required for the cryogenic testing of materials, components and subsystems. The Test Facility Cryostat (TFC) at the University of Lethbridge is a large volume, closed cycle, 4K cryogenic facility, developed for this purpose. This thesis discusses the design and performance of the facility and associated external instrumentation. An apparatus for measuring the thermal properties of materials is presented, and measurements of the thermal expansion and conductivity of carbon fibre reinforced polymers (CFRPs) at cryogenic temperatures are reported. Finally, I discuss the progress towards the design and fabrication of a demonstrator cryogenic, far infrared Fourier transform spectrometer.

  13. The evaluation of structural changes in wool fibre keratin treated with azo dyes by Fourier Transform Infrared Spectroscopy

    NASA Astrophysics Data System (ADS)

    Pielesz, A.; Włochowicz, A.; Biniaś, W.

    2000-06-01

    Fourier Transform Infrared Spectroscopy spectroscopy is a useful technique for the analysis of structural changes in wool fibres at the molecular and supermolecular levels. Ecological requirements the textile industry has to meet oblige manufacturers to use ecological dyes in the process of fibre dyeing. These dyes should not split into the forbidden, carcinogenic aromatic amines (e.g. benzidine) while used. Wool was dyed with an azo dye, then underwent a chemical reaction. Changes were observed in the region of Amide A, Amide B, Amide I and II, dipolar ions amino acids, and the fingerprint region.

  14. The evaluation of structural changes in wool fibre keratin treated with azo dyes by Fourier Transform Infrared Spectroscopy.

    PubMed

    Pielesz, A; Włochowicz, A; Biniaś, W

    2000-06-01

    Fourier Transform Infrared Spectroscopy spectroscopy is a useful technique for the analysis of structural changes in wool fibres at the molecular and supermolecular levels. Ecological requirements the textile industry has to meet oblige manufacturers to use ecological dyes in the process of fibre dyeing. These dyes should not split into the forbidden, carcinogenic aromatic amines (e.g. benzidine) while used. Wool was dyed with an azo dye, then underwent a chemical reaction. Changes were observed in the region of Amide A, Amide B, Amide I and II, dipolar ions amino acids, and the fingerprint region.

  15. Midwave infrared imaging Fourier transform spectrometry of combustion plumes

    NASA Astrophysics Data System (ADS)

    Bradley, Kenneth C.

    A midwave infrared (MWIR) imaging Fourier transform spectrometer (IFTS) was used to successfully capture and analyze hyperspectral imagery of combustion plumes. Jet engine exhaust data from a small turbojet engine burning diesel fuel at a low rate of 300 cm3/min was collected at 1 cm -1 resolution from a side-plume vantage point on a 200x64 pixel window at a range of 11.2 meters. Spectral features of H2O, CO, and CO2 were present, and showed spatial variability within the plume structure. An array of thermocouple probes was positioned within the plume to aid in temperature analysis. A single-temperature plume model was implemented to obtain spatially-varying temperatures and plume concentrations. Model-fitted temperatures of 811 +/- 1.5 K and 543 +/- 1.6 K were obtained from plume regions in close proximity to thermocouple probes measuring temperatures of 719 K and 522 K, respectively. Industrial smokestack plume data from a coal-burning stack collected at 0.25 cm-1 resolution at a range of 600 meters featured strong emission from NO, CO, CO2, SO 2, and HCl in the spectral region 1800-3000 cm-1. A simplified radiative transfer model was employed to derive temperature and concentrations for clustered regions of the 128x64 pixel scene, with corresponding statistical error bounds. The hottest region (closest to stack centerline) was 401 +/- 0.36 K, compared to an in-stack measurement of 406 K, and model-derived concentration values of NO, CO2, and SO2 were 140 +/- 1 ppmV, 110,400 +/- 950 ppmV, and 382 +/- 4 ppmV compared to in-stack measurements of 120 ppmV (NOx), 94,000 ppmV, and 382 ppmV, respectively. In-stack measurements of CO and HCl were not provided by the stack operator, but model-derived values of 19 +/- 0.2 ppmV and 111 +/- 1 ppmV are reported near stack centerline. A deployment to Dugway Proving Grounds, UT to collect hyperspectral imagery of chemical and biological threat agent simulants resulted in weak spectral signatures from several species. Plume

  16. Broadband Mid-Infrared Comb-Resolved Fourier Transform Spectroscopy

    NASA Astrophysics Data System (ADS)

    Lee, Kevin; Mills, Andrew; Mohr, Christian; Jiang, Jie; Fermann, Martin; Maslowski, Piotr

    2014-06-01

    We report on a comb-resolved, broadband, direct-comb spectroscopy system in the mid-IR and its application to the detection of trace gases and molecular line shape analysis. By coupling an optical parametric oscillator (OPO), a 100 m multipass cell, and a high-resolution Fourier transform spectrometer (FTS), sensitive, comb-resolved broadband spectroscopy of dilute gases is possible. The OPO has radiation output at 3.1-3.7 and 4.5-5.5 μm. The laser repetition rate is scanned to arbitrary values with 1 Hz accuracy around 417 MHz. The comb-resolved spectrum is produced with an absolute frequency axis depending only on the RF reference (in this case a GPS disciplined oscillator), stable to 1 part in 10^9. The minimum detectable absorption is 1.6x10-6 wn Hz-1/2. The operating range of the experimental setup enables access to strong fundamental transitions of numerous molecular species for applications based on trace gas detection such as environmental monitoring, industrial gas calibration or medical application of human breath analysis. In addition to these capabilities, we show the application for careful line shape analysis of argon-broadened CO band spectra around 4.7 μm. Fits of the obtained spectra clearly illustrate the discrepancy between the measured spectra and the Voigt profile (VP), indicating the need to include effects such as Dicke narrowing and the speed-dependence of the collisional width and shift in the line shape model, as was shown in previous cw-laser studies. In contrast to cw-laser based experiments, in this case the entire spectrum (˜ 250 wn) covering the whole P and R branches can be measured in 16 s with 417 MHz resolution, decreasing the acquisition time by orders of magnitude. The parallel acquisition allows collection of multiple lines simultaneously, removing the correlation of possible temperature and pressure drifts. While cw-systems are capable of measuring spectra with higher precision, this demonstration opens the door for fast

  17. Optimal Padding for the Two-Dimensional Fast Fourier Transform

    NASA Technical Reports Server (NTRS)

    Dean, Bruce H.; Aronstein, David L.; Smith, Jeffrey S.

    2011-01-01

    One-dimensional Fast Fourier Transform (FFT) operations work fastest on grids whose size is divisible by a power of two. Because of this, padding grids (that are not already sized to a power of two) so that their size is the next highest power of two can speed up operations. While this works well for one-dimensional grids, it does not work well for two-dimensional grids. For a two-dimensional grid, there are certain pad sizes that work better than others. Therefore, the need exists to generalize a strategy for determining optimal pad sizes. There are three steps in the FFT algorithm. The first is to perform a one-dimensional transform on each row in the grid. The second step is to transpose the resulting matrix. The third step is to perform a one-dimensional transform on each row in the resulting grid. Steps one and three both benefit from padding the row to the next highest power of two, but the second step needs a novel approach. An algorithm was developed that struck a balance between optimizing the grid pad size with prime factors that are small (which are optimal for one-dimensional operations), and with prime factors that are large (which are optimal for two-dimensional operations). This algorithm optimizes based on average run times, and is not fine-tuned for any specific application. It increases the amount of times that processor-requested data is found in the set-associative processor cache. Cache retrievals are 4-10 times faster than conventional memory retrievals. The tested implementation of the algorithm resulted in faster execution times on all platforms tested, but with varying sized grids. This is because various computer architectures process commands differently. The test grid was 512 512. Using a 540 540 grid on a Pentium V processor, the code ran 30 percent faster. On a PowerPC, a 256x256 grid worked best. A Core2Duo computer preferred either a 1040x1040 (15 percent faster) or a 1008x1008 (30 percent faster) grid. There are many industries that

  18. [The applications for Fourier transform infrared spectrum analysis technique in preventive medicine field].

    PubMed

    Yang, Jiao-lan; Luo, Tian

    2002-08-01

    This paper expatriated the applications for Fourier transform infrared spectrum analysis technique in preventive medicine field from four aspects of environmental pollution, life science, and the latest infrared analysis methods and near infrared analysis technique. In the environmental pollution field, it mainly described the advantages, the limitations and the solutions of the combined applications for gas chromatograph and Fourier transform infrared spectrum. In the life science field, it described the application for Fourier transform infrared spectrum analysis technique on protein secondary structure, membrane protein, phospholipid, nucleic acid, cell, tissue. In addition, it also introduced a few latest infrared analysis methods and the applications for near infrared spectrum analysis technique in food, cosmetic, drug.

  19. Computation of robot configuration and workspaces via the Fourier transform on the discrete-motion group

    SciTech Connect

    Kyatkin, A.B.; Chirikjian, G.S.

    1999-06-01

    The authors apply the Fourier transform on the discrete-motion group to the problem of computing the configuration-space obstacles of mobile robots which move among static obstacles, the problem of finding the workspace density of binary manipulators with many actuators, and the problem of determining workspace boundaries of manipulators with continuous-motion actuators. They develop and implement Fourier transforms for the discrete-motion group of the plane. These transforms allow them to apply fast Fourier transform methods to the computation of convolution-like integrals that arise in robot kinematics and motion planning. The results of the implementation are discussed for particular examples.

  20. Efficient differential Fourier-transform spectrometer for precision Sunyaev-Zel'dovich effect measurements

    NASA Astrophysics Data System (ADS)

    Schillaci, Alessandro; D'Alessandro, Giuseppe; de Bernardis, Paolo; Masi, Silvia; Paiva Novaes, Camila; Gervasi, Massimo; Zannoni, Mario

    2014-05-01

    Context. Precision measurements of the Sunyaev-Zel'dovich effect in clusters of galaxies require excellent rejection of common-mode signals and wide frequency coverage. Aims: We describe an imaging, efficient, differential Fourier transform spectrometer (FTS), optimized for measurements of faint brightness gradients at millimeter wavelengths. Methods: Our instrument is based on a Martin-Puplett interferometer (MPI) configuration. We combined two MPIs working synchronously to use the whole input power. In our implementation the observed sky field is divided into two halves along the meridian, and each half-field corresponds to one of the two input ports of the MPI. In this way, each detector in the FTS focal planes measures the difference in brightness between two sky pixels, symmetrically located with respect to the meridian. Exploiting the high common-mode rejection of the MPI, we can measure low sky brightness gradients over a high isotropic background. Results: The instrument works in the range ~1-20 cm-1 (30-600 GHz), has a maximum spectral resolution 1 / (2 OPD) = 0.063 cm-1 (1.9 GHz), and an unvignetted throughput of 2.3 cm2sr. It occupies a volume of 0.7 × 0.7 × 0.33 m3 and has a weight of 70 kg. This design can be implemented as a cryogenic unit to be used in space, as well as a room-temperature unit working at the focus of suborbital and ground-based mm-wave telescopes. The first in-flight test of the instrument is with the OLIMPO experiment on a stratospheric balloon; a larger implementation is being prepared for the Sardinia radio telescope.

  1. Determination of Oxidized Phosphatidylcholines by Hydrophilic Interaction Liquid Chromatography Coupled to Fourier Transform Mass Spectrometry

    PubMed Central

    Sala, Pia; Pötz, Sandra; Brunner, Martina; Trötzmüller, Martin; Fauland, Alexander; Triebl, Alexander; Hartler, Jürgen; Lankmayr, Ernst; Köfeler, Harald C.

    2015-01-01

    A novel liquid chromatography-mass spectrometry (LC-MS) approach for analysis of oxidized phosphatidylcholines by an Orbitrap Fourier Transform mass spectrometer in positive electrospray ionization (ESI) coupled to hydrophilic interaction liquid chromatography (HILIC) was developed. This method depends on three selectivity criteria for separation and identification: retention time, exact mass at a resolution of 100,000 and collision induced dissociation (CID) fragment spectra in a linear ion trap. The process of chromatography development showed the best separation properties with a silica-based Kinetex column. This type of chromatography was able to separate all major lipid classes expected in mammalian samples, yielding increased sensitivity of oxidized phosphatidylcholines over reversed phase chromatography. Identification of molecular species was achieved by exact mass on intact molecular ions and CID tandem mass spectra containing characteristic fragments. Due to a lack of commercially available standards, method development was performed with copper induced oxidation products of palmitoyl-arachidonoyl-phosphatidylcholine, which resulted in a plethora of lipid species oxidized at the arachidonoyl moiety. Validation of the method was done with copper oxidized human low-density lipoprotein (LDL) prepared by ultracentrifugation. In these LDL samples we could identify 46 oxidized molecular phosphatidylcholine species out of 99 possible candidates. PMID:25874761

  2. Monitoring the sorption of propanoic acid by montmorillonite using Diffuse Reflectance Fourier Transform Infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Parker, R. W.; Frost, R. L.

    1998-06-01

    This paper describes how Diffuse Reflectance Fourier Transform Infrared (DRIFT) spectroscopy was used to monitor the sorption behavior of a short chain fatty acid, propanoic acid, on the clay mineral, montmorillonite. Organic acids bind to montmorillonite in two ways, either by dipole interaction with the oxygens in the interlayer space, or by bonding of the carboxylate anions to exposed aluminum ions. The DRIFT spectra of propanoic acid-montmorillonite complexes have bands at 1728 and 1554 cm-1, which are attributed to the symmetric, and antisymmetric stretching vibrations, respectively, of the C=O, ν(C=O)s, and O-C-O, ν(O-C-O)a, bonds of the carboxylic acid group. Each band represents one of the two different binding modes. These bands can be used to monitor the physical and chemical adsorption of the acid by the montmorillonite. When the peak area of each vibration is plotted against increasing acid concentration, both increase to a maximum. However the peak area for the ν(O-C-O)a vibration reaches a maximum at a much lower acid concentration than the ν(O=O)s vibration. The former maximum corresponds to saturation of the available binding sites on the edge surface aluminum ions. This concentration can be used to calculate the number of binding sites on the clay crystal. Where propanoic acid is allowed to diffuse from the clay, the bound fraction remains on the montmorillonite reducing the available acid that can be desorbed or leached from the clay.

  3. Properly used ''aliasing'' can give better resolution from fewer points in Fourier transform spectroscopy

    NASA Astrophysics Data System (ADS)

    D'Astous, Y.; Blanchard, M.

    1982-05-01

    In the past years, the Journal has published a number of articles1-5 devoted to the introduction of Fourier transform spectroscopy in the undergraduate labs. In most papers, the proposed experimental setup consists of a Michelson interferometer, a light source, a light detector, and a chart recorder. The student uses this setup to record an interferogram which is then Fourier transformed to obtain the spectrogram of the light source. Although attempts have been made to ease the task of performing the required Fourier transform,6 the use of computers and Cooley-Tukey's fast Fourier transform (FFT) algorithm7 is by far the simplest method to use. However, to be able to use FFT, one has to get a number of samples of the interferogram, a tedious job which should be kept to a minimum. (AIP)

  4. Effect of coherence and polarization on frequency resolution in optical Fourier transforming system.

    PubMed

    Ostrovsky, Andrey S; Olvera-Santamaría, Miguel Á; Romero-Soría, Paulo C

    2011-12-01

    Using an example of vector Gaussian Schell-model beam, we demonstrate and analyze the dependence of the spatial frequency resolution in optical Fourier transforming system on the intrinsic coherence-polarization structure of illumination.

  5. ENVIRONMENTAL ANALYSIS BY AB INITIO QUANTUM MECHANICAL COMPUTATION AND GAS CHROMATOGRAPHY/FOURIER TRANSFORM INFRARED SPECTROMETRY.

    EPA Science Inventory

    Computational chemistry, in conjunction with gas chromatography/mass spectrometry/Fourier transform infrared spectrometry (GC/MS/FT-IR), was used to tentatively identify seven tetrachlorobutadiene (TCBD) isomers detected in an environmental sample. Computation of the TCBD infrare...

  6. The Fourier Transform in Chemistry. Part 1. Nuclear Magnetic Resonance: Introduction.

    ERIC Educational Resources Information Center

    King, Roy W.; Williams, Kathryn R.

    1989-01-01

    Using fourier transformation methods in nuclear magnetic resonance has made possible increased sensitivity in chemical analysis. This article describes these methods as they relate to magnetization, the RF magnetic field, nuclear relaxation, the RF pulse, and free induction decay. (CW)

  7. QUANTITATIVE FOURIER TRANSFORM INFRARED SPECTROSCOPIC INVESTIGATION OF HUMIC SUBSTANCE FUNCTIONAL GROUP COMPOSITION

    EPA Science Inventory

    Infrared (IR) spectroscopy has been widely used for the structural investigation of humic substances. Although Fourier Transform Infrared (FTIR) instrumentation has been available for sometime, relatively little work with these instruments has been reported for humic substances,...

  8. Research about vibration characteristics of timing chain system based on short-time Fourier transform

    NASA Astrophysics Data System (ADS)

    Xi, Jiaxin; Liu, Ning

    2017-09-01

    Vibration characteristic of timing chain system is very important for an engine. In this study, we used a bush roller chain drive system as an example to explain how to use mulitybody dynamic techniques and short-time Fourier transform to investigate vibration characteristics of timing chain system. Multibody dynamic simulation data as chain tension force and external excitation sources curves were provided for short-time Fourier transform study. The study results of short-time Fourier transform illustrate that there are two main vibration frequency domain of timing chain system, one is the low frequency vibration caused by crankshaft sprocket velocity and camshaft sprocket torque. Another is vibration around 1000Hz lead by hydraulic tensioner. Hence, short-time Fourier transform method is useful for basic research of vibration characteristics for timing chain system.

  9. Instrument Line Shape Modeling and Correction for Off-Axis Detectors in Fourier Transform Spectrometry

    NASA Technical Reports Server (NTRS)

    Bowman, K.; Worden, H.; Beer, R.

    1999-01-01

    Spectra measured by off-axis detectors in a high-resolution Fourier transform spectrometer (FTS) are characterized by frequency scaling, asymmetry and broadening of their line shape, and self-apodization in the corresponding interferogram.

  10. A High Resolution Fourier-Transform Spectrometer for the Measurement of Atmospheric Column Abundances

    NASA Technical Reports Server (NTRS)

    Cageao, R.; Sander, S.; Blavier, J.; Jiang, Y.; Nemtchinov, V.

    2000-01-01

    A compact, high resolution Fourier-transform spectrometer for atmospheric near ultraviolet spectroscopy has been installed at the Jet Propulsion Laboratory's Table Mountain Facility (34.4N, 117.7 W, elevation 2290m).

  11. The Fourier Transform in Chemistry. Part 1. Nuclear Magnetic Resonance: Introduction.

    ERIC Educational Resources Information Center

    King, Roy W.; Williams, Kathryn R.

    1989-01-01

    Using fourier transformation methods in nuclear magnetic resonance has made possible increased sensitivity in chemical analysis. This article describes these methods as they relate to magnetization, the RF magnetic field, nuclear relaxation, the RF pulse, and free induction decay. (CW)

  12. Fourier Transform Infrared Spectroscopy: Part II. Advantages of FT-IR.

    ERIC Educational Resources Information Center

    Perkins, W. D.

    1987-01-01

    This is Part II in a series on Fourier transform infrared spectroscopy (FT-IR). Described are various advantages of FT-IR spectroscopy including energy advantages, wavenumber accuracy, constant resolution, polarization effects, and stepping at grating changes. (RH)

  13. A High Resolution Fourier-Transform Spectrometer for the Measurement of Atmospheric Column Abundances

    NASA Technical Reports Server (NTRS)

    Cageao, R.; Sander, S.; Blavier, J.; Jiang, Y.; Nemtchinov, V.

    2000-01-01

    A compact, high resolution Fourier-transform spectrometer for atmospheric near ultraviolet spectroscopy has been installed at the Jet Propulsion Laboratory's Table Mountain Facility (34.4N, 117.7 W, elevation 2290m).

  14. Entanglement of periodic states, the quantum Fourier transform, and Shor's factoring algorithm

    SciTech Connect

    Most, Yonatan; Biham, Ofer; Shimoni, Yishai

    2010-05-15

    The preprocessing stage of Shor's algorithm generates a class of quantum states referred to as periodic states, on which the quantum Fourier transform is applied. Such states also play an important role in other quantum algorithms that rely on the quantum Fourier transform. Since entanglement is believed to be a necessary resource for quantum computational speedup, we analyze the entanglement of periodic states and the way it is affected by the quantum Fourier transform. To this end, we derive a formula that evaluates the Groverian entanglement measure for periodic states. Using this formula, we explain the surprising result that the Groverian entanglement of the periodic states built up during the preprocessing stage is only slightly affected by the quantum Fourier transform.

  15. Fourier Transform Infrared Spectroscopy: Part II. Advantages of FT-IR.

    ERIC Educational Resources Information Center

    Perkins, W. D.

    1987-01-01

    This is Part II in a series on Fourier transform infrared spectroscopy (FT-IR). Described are various advantages of FT-IR spectroscopy including energy advantages, wavenumber accuracy, constant resolution, polarization effects, and stepping at grating changes. (RH)

  16. [Studies on normal and mildewy Auricularia auricular by Fourier transform infrared spectroscopy].

    PubMed

    Shi, You-ming; Liu, Gang; Sun, Yan-lin; Wei, Sheng-xian; Yan, Cui-qiong

    2011-03-01

    In order to verify the capability of Fourier transform infrared spectroscopy in food safety, Fourier transform infrared spectroscopy (FTIR) was used to obtain the spectra of normal and mildewy auricularia auricula, The result showed the frequency of hydroxyl and aliphatic absorption band in their spectra had evident differentia, with the dispersion being 23.31 and 13.41 cm(-1) respectively. The curve-fitting analysis was used for the fold peaks of hydroxyl and amido, and it presented that the content of hydroxyl and amido had evident change. The substances in the auricularia auricula generated chemical change, and Fourier transform infrared spectroscopy could show the differentia easily. The results show that Fourier transform infrared spectroscopy can provide valuable information about the auricularia auricula. It could be used as a reference method for identification of the normal and mildewy auricularia auricula.

  17. ENVIRONMENTAL ANALYSIS BY AB INITIO QUANTUM MECHANICAL COMPUTATION AND GAS CHROMATOGRAPHY/FOURIER TRANSFORM INFRARED SPECTROMETRY.

    EPA Science Inventory

    Computational chemistry, in conjunction with gas chromatography/mass spectrometry/Fourier transform infrared spectrometry (GC/MS/FT-IR), was used to tentatively identify seven tetrachlorobutadiene (TCBD) isomers detected in an environmental sample. Computation of the TCBD infrare...

  18. QUANTITATIVE FOURIER TRANSFORM INFRARED SPECTROSCOPIC INVESTIGATION OF HUMIC SUBSTANCE FUNCTIONAL GROUP COMPOSITION

    EPA Science Inventory

    Infrared (IR) spectroscopy has been widely used for the structural investigation of humic substances. Although Fourier Transform Infrared (FTIR) instrumentation has been available for sometime, relatively little work with these instruments has been reported for humic substances,...

  19. Fourier transform of delayed fluorescence as an indicator of herbicide concentration.

    PubMed

    Guo, Ya; Tan, Jinglu

    2014-12-21

    It is well known that delayed fluorescence (DF) from Photosystem II (PSII) of plant leaves can be potentially used to sense herbicide pollution and evaluate the effect of herbicides on plant leaves. The research of using DF as a measure of herbicides in the literature was mainly conducted in time domain and qualitative correlation was often obtained. Fourier transform is often used to analyze signals. Viewing DF signal in frequency domain through Fourier transform may allow separation of signal components and provide a quantitative method for sensing herbicides. However, there is a lack of an attempt to use Fourier transform of DF as an indicator of herbicide. In this work, the relationship between the Fourier transform of DF and herbicide concentration was theoretically modelled and analyzed, which immediately yielded a quantitative method to measure herbicide concentration in frequency domain. Experiments were performed to validate the developed method. Copyright © 2014 Elsevier Ltd. All rights reserved.

  20. Fourier Transform Infrared Spectroscopic Studies of Small Pure Carbon Clusters

    NASA Astrophysics Data System (ADS)

    Kranze, Richard Harlow

    1996-01-01

    Fourier transform infrared studies of small pure carbon linear chains have been carried out by trapping the products of the vacuum ultraviolet photolysis of 2 -methyl-1,3,-butadiene and by the high temperature evaporation of graphite, in solid Ar at 10 K. Isotopic data obtained for each of the species studied enabled the unambiguous assignments. Comparison of these assignments with theoretical calculations yielded very good agreement. The results of the presented research have resulted in new information on two pure carbon linear chains, C _5 and C_9, and have cleared up considerable confusion surrounding previous assignments to the linear C_6 carbon cluster. In the course of the C_9 study, however, it was also determined that in certain circumstances extreme care must be taken when making assignments based on isotopic substitutions. The v_4(sigma_{u }) antisymmetric stretch at 1446.6 cm ^{-1} of the linear C_5 carbon cluster has been identified for the first time by the analysis of isotopic data. This assignment agrees well with the predicted frequencies of both Botschwina and Sebald (1989) and Ewing and Shavitt (1992). Several isotopic bands belonging to the v_3(sigma u) antisymmetric stretch were also reassigned as a result of the better resolution available in the present study. Both the v_4(sigma_ {u}) and v_5(sigma u) assignments for the linear C_6 carbon cluster were confirmed through the analysis of isotopic data. Prior to publication of this work, it had been suggested by Neumark et al. (1993) that the assignments particularly for v_5( sigmau) were incorrect on the basis of force constant adjustment calculations. However, publication of the present work with the isotopic evidence, which definitively proved that the proposed assignments were correct, Neumark et al. agreed and concluded their difficulty resulted from the large anharmonicity involved with the v_5(sigma_{u }) mode. A second antisymmetric stretch, v_7( sigmau), for the linear C_9 cluster has