First Signal on the Cryogenic Fourier-Transform Ion Cyclotron Resonance Mass Spectrometer
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
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
Control Of Cryogenic Fourier Transform Spectrometer Scanning Mirrors
NASA Astrophysics Data System (ADS)
Tripathi, S. S.; Gowrinathan, S.
1981-12-01
The Perkin-Elmer Corporation has designed and built a cryogenically cooled Fourier transform spectrometer for spaceborne applications. In operation, the spectrometer requires mirrors moving at constant velocity in both forward and reverse directions. To maintain efficiency and accuracy, the time taken to reverse direction and the vibration induced due to this reversal must be kept within low limits. This paper deals with the control system design for maintaining a constant velocity during forward and reverse scans and for smooth direction reversals. The systems aspects of the problem are described, and time-domain techniques of modern control theory are applied for optimization of turn-around profile. The analysis leads to a suboptimal design easily implemented by using analog-type components. Test results of satisfactory performance are also included.
External Second Gate-Fourier Transform Ion Mobility Spectrometry.
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.
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.
Cryogenic Fourier transform spectrometer for infrared spectral calibrations from 4 to 20 micrometers
NASA Astrophysics Data System (ADS)
Woods, Solomon I.; Kaplan, Simon G.; Jung, Timothy M.; Carter, Adriaan C.; Datla, Raju U.
2010-04-01
We present initial performance data from a cryogenic Fourier transform spectrometer (Cryo-FTS) designed for lowbackground spectral infrared calibrations. The Cryo-FTS operates at a temperature of approximately 15 K and has been integrated into an infrared transfer radiometer containing a calibrated Si:As blocked impurity band (BIB) detector. Because of its low operating temperature, the spectrometer exhibits negligible thermal background signal and low drift. Data from tests of basic spectrometer function, such as modulation efficiency, scan jitter, spectral range, spectral resolution and sweep speed will be presented. We will also discuss calibration techniques and results pertinent to operation of the Cryo-FTS as part of a calibration instrument, including background, signal offset and gain, and spectral noise equivalent power. The spectrometer is presently limited to wavelengths below 25 micrometers but can be in principle extended to longer wavelengths by replacing its KBr beamsplitter with another beamsplitter engineered for use beyond 25 micrometers.
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.
Ion collision cross section measurements in Fourier transform-based mass analyzers.
Li, Dayu; Tang, Yang; Xu, Wei
2016-06-01
With the increasing demands of molecular structure analysis, several methods have been developed to measure ion collision cross sections within Fourier transform (FT) based mass analyzers. Particularly in the recent three years since 2012, the method of obtaining biomolecule collision cross sections was achieved in Fourier transform ion cyclotron resonance (FT-ICR) cells. Furthermore, similar methods have been realized or proposed for orbitraps and quadrupole ion traps. This technique adds a new ion structure analysis capability to FT-based mass analyzers. By providing complementary ion structure information, it could be used together with tandem mass spectrometry and ion mobility spectroscopy techniques. Although many questions and challenges remain, this technique potentially would greatly enhance the ion structure analysis capability of a mass spectrometer, and provide a new tool for chemists and biochemists. PMID:26788551
Barhick, C M; Eyler, J R
1992-02-01
A glow discharge (CD) ion source has been coupled to a Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer using a four-element electrostatic lens to accelerate and focus ions generated external to the instrument's high magnetic field into its analyzer cell. Like other CD mass spectrometers, GD-FT-ICR can provide a quantitative measure of bulk analyte concentration with good precision and accuracy. Although detection limits currently attainable are several orders of magnitude higher than the commercially available magnetic sector-based instrument, CD-FT-ICR holds promise for ultrahigh resolving power elemental mass analysis. Several schemes are proposed to lower the detection limits of the technique while still providing high enough resolution to resolve isobaric interferences. PMID:24242880
C60 Secondary Ion Fourier Transform Ion Cyclotron Resonance Mass Spectrometry
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.
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.
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.
NASA Astrophysics Data System (ADS)
Nagornov, Konstantin O.; Kozhinov, Anton N.; Tsybin, Oleg Y.; Tsybin, Yury O.
2015-05-01
The current paradigm in ion trap (cell) design for Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) is the ion detection with wide aperture detection electrodes. Specifically, excitation and detection electrodes are typically 90° wide and positioned radially at a similar distance from the ICR cell axis. Here, we demonstrate that ion detection with narrow aperture detection electrodes (NADEL) positioned radially inward of the cell's axis is feasible and advantageous for FT-ICR MS. We describe design details and performance characteristics of a 10 T FT-ICR MS equipped with a NADEL ICR cell having a pair of narrow aperture (flat) detection electrodes and a pair of standard 90° excitation electrodes. Despite a smaller surface area of the detection electrodes, the sensitivity of the NADEL ICR cell is not reduced attributable to improved excite field distribution, reduced capacitance of the detection electrodes, and their closer positioning to the orbits of excited ions. The performance characteristics of the NADEL ICR cell are comparable with the state-of-the-art FT-ICR MS implementations for small molecule, peptide, protein, and petroleomics analyses. In addition, the NADEL ICR cell's design improves the flexibility of ICR cells and facilitates implementation of advanced capabilities (e.g., quadrupolar ion detection for improved mainstream applications). It also creates an intriguing opportunity for addressing the major bottleneck in FTMS—increasing its throughput via simultaneous acquisition of multiple transients or via generation of periodic non-sinusoidal transient signals.
Aizikov, Konstantin; Mathur, Raman; O’Connor, Peter B.
2009-01-01
The spontaneous loss of coherence catastrophe (SLCC) is a frequently observed, yet poorly studied, space-charge related effect in Fourier-transform ion cyclotron resonance mass spectrometry (FTICR-MS). This manuscript presents an application of the filter diagonalization method (FDM) in the analysis of this phenomenon. The temporal frequency behavior reproduced by frequency shift analysis using the FDM shows the complex nature of the SLCC, which can be explained by a combination of factors occurring concurrently, governed by electrostatics and ion packet trajectories inside the ICR cell. PMID:19013078
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.
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.
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. PMID:25601704
High Throughput Proteomics Using Fourier Transform Ion Cyclotron Resonance Mass Spectrometry
Qian, Weijun; Camp, David G.; Smith, Richard D.
2004-06-01
The advent of high throughput proteomics technology for global detection and quantitation of proteins creates new opportunities and challenges for those seeking to gain greater understanding of cellular machinery. Here, we review recent advances in high-resolution capillary liquid chromatography coupled to Fourier transform ion cyclotron resonance (FTICR) mass spectrometry along with its potential application to high throughput proteomics. These technological advances combined with quantitative stable isotope labeling methodologies provide powerful tools for expanding our understanding of biology at the system-level.
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
Fourier transform ion cyclotron resonance (FT ICR) mass spectrometry: Theory and simulations.
Nikolaev, Eugene N; Kostyukevich, Yury I; Vladimirov, Gleb N
2016-01-01
Fourier transform ion cyclotron resonance (FT ICR) mass spectrometer offers highest resolving power and mass accuracy among all types of mass spectrometers. Its unique analytical characteristics made FT ICR important tool for proteomics, metabolomics, petroleomics, and investigation of complex mixtures. Signal acquisition in FT ICR MS takes long time (up to minutes). During this time ion-ion interaction considerably affects ion motion and result in decreasing of the resolving power. Understanding of those effects required complicated theory and supercomputer simulations but culminated in the invention of the ion trap with dynamic harmonization which demonstrated the highest resolving power ever achieved. In this review we summarize latest achievements in theory and simulation of FT ICR mass spectrometers. PMID:24515872
Shaw, Jared B; Robinson, Errol W; Paša-Tolić, Ljiljana
2016-03-15
We revisited the implementation of 193 nm ultraviolet photodissociation (UVPD) within the ion cyclotron resonance (ICR) cell of a Fourier transform-ion cyclotron resonance (FT-ICR) mass spectrometer. UVPD performance characteristics were examined in the context of recent developments in the understanding of UVPD and in-cell tandem mass spectrometry. Efficient UVPD and photo-ECD of a model peptide and proteins within the ICR cell of a FT-ICR mass spectrometer are accomplished through appropriate modulation of laser pulse timing, relative to ion magnetron motion and the potential applied to an ion optical element upon which photons impinge. It is shown that UVPD yields efficient and extensive fragmentation, resulting in excellent sequence coverage for model peptide and protein cations. PMID:26882021
Fourier Transform Mass Spectrometry
Scigelova, Michaela; Hornshaw, Martin; Giannakopulos, Anastassios; Makarov, Alexander
2011-01-01
This article provides an introduction to Fourier transform-based mass spectrometry. The key performance characteristics of Fourier transform-based mass spectrometry, mass accuracy and resolution, are presented in the view of how they impact the interpretation of measurements in proteomic applications. The theory and principles of operation of two types of mass analyzer, Fourier transform ion cyclotron resonance and Orbitrap, are described. Major benefits as well as limitations of Fourier transform-based mass spectrometry technology are discussed in the context of practical sample analysis, and illustrated with examples included as figures in this text and in the accompanying slide set. Comparisons highlighting the performance differences between the two mass analyzers are made where deemed useful in assisting the user with choosing the most appropriate technology for an application. Recent developments of these high-performing mass spectrometers are mentioned to provide a future outlook. PMID:21742802
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 inmore » nearly lossless transmission.« less
NASA Astrophysics Data System (ADS)
Schindler, Thomas; Berg, Christian; Niedner-Schatteburg, Gereon; Bondybey, Vladimir E.
1996-03-01
High resolution Fourier-transform ion cyclotron resonance (FT-ICR) mass spectroscopy is used to investigate reactions of large ionic water clusters H+(H2O)n and X-(H2O)n (n=1-100, X=O or OH). Reactions of the clusters with chlorine nitrate, important ``reservoir compound'' involved in the stratospheric ozone chemistry, are investigated to evaluate the importance of heterogeneously catalyzed reactions for ozone depletion. It is found that reactions of both cationic and anionic clusters result in effective hydrolysis of chlorine nitrate and return of the more active hypochlorous acid, HOCl into the gas phase. The chemistry of clusters is discussed, and its validity and relevance as a model for ``real life'' processes in the so-called polar stratospheric clouds (PSC's) is assessed.
NASA Technical Reports Server (NTRS)
Mcguirk, M.; Logan, L.
1980-01-01
A study was performed to determine the optimum focal plane configuration including optics, filters and detector-preamplifier selection. The configuration was optimized particularly with respect to minimizing the noise level, but fabrication considerations for a cryogenic environment were also taken into account. The noise terms from source, background, detector electronics and charged particle radiation were quantitatively evaluated. It appears that noise equivalent spectral radiance less than 10 to the -11th W/sq cm per sr per kayser can be achieved between 2.5 and 20 microns.
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)
Yang, Jiong; Mo, Jingjie; Adamson, Julie T; Håkansson, Kristina
2005-03-15
Electron detachment dissociation (EDD), recently introduced by Zubarev and co-workers for the dissociation of multiply charged biomolecular anions via a radical ion intermediate, has been shown to be analogous to electron capture dissociation (ECD) in several respects, including more random peptide fragmentation and retention of labile posttranslational modifications. We have previously demonstrated unique fragmentation behavior in ECD compared to vibrational excitation for oligodeoxynucleotide cations. However, that approach is limited by the poor sensitivity for oligonucleotide ionization in positive ion mode. Here, we show implementation of EDD on a commercial Fourier transform ion cyclotron resonance mass spectrometer utilizing two different configurations: a heated filament electron source and an indirectly heated hollow dispenser cathode electron source. The dispenser cathode configuration provides higher EDD efficiency and additional fragmentation channels for hexamer oligodeoxynucleotides. As in ECD, even-electron d/w ion series dominate the spectra, but we also detect numerous a/z (both even-electron and radical species), (a/z - B), c/x, (c/x - B), and (d/w - B) ions with minimal nucleobase loss from the precursor ions. In contrast to previous high-energy collision-activated dissociation (CAD) and ion trap CAD of radical oligonucleotide anions, we only observe minimum sugar cross-ring cleavage, possibly due to the short time scale of EDD, which limits secondary fragmentation. Thus, EDD provides fragmentation similar to ECD for oligodeoxynucleotides but at enhanced sensitivity. Finally, we show that noncovalent bonding in a DNA duplex can be preserved following EDD, illustrating another analogy with ECD. We believe the latter finding implies EDD has promise for characterization of nucleic acid structure and folding. PMID:15762599
Lin, Tzu-Yung; Green, Roger J.; O'Connor, Peter B.
2011-12-15
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/{radical}(Hz) when the transimpedance is about 85 dB{Omega}). The designed preamplifier has a bandwidth of {approx}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 M{Omega} when using an 0402 surface mount resistor, the preamplifier was estimated to be able to detect {approx}110 charges in a single scan.
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
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. PMID:23076397
NASA Astrophysics Data System (ADS)
May, Michael A.; Marshall, Alan G.
1994-03-01
A sealed rigid ``purgebox'' makes it possible to load air- and/or moisture-sensitive solids into the solids probe inlet of a Fourier transform ion cyclotron resonance (FT/ICR) mass spectrometer. A pelletized sample is transferred (in a sealed canister) from a commercial drybox to a Lucite(R) purgebox. After the box is purged with inert gas, an attached glove manipulator is used to transfer the sample from the canister to the solids probe of the mass spectrometer. Once sealed inside the inlet, the sample is pre-evacuated and then passed into the high vacuum region of the instrument at ˜10-7 Torr. The purgebox is transparent, portable, and readily assembled/disassembled. Laser desorption FT/ICR mass spectra of the air- and moisture-sensitive solids, NbCl5. NbCl2(C5H5)2, and Zr(CH3)2(C5H5)2 are obtained without significant oxidation. The residual water vapor concentration inside the purgebox was measured as 100±20 ppm after a 90-min purge with dry nitrogen gas. High-resolution laser desorption/ionization mass spectrometry of air-sensitive solids becomes feasible with the present purgebox interface. With minor modification of the purgebox geometry, the present method could be adapted to any mass spectrometer equipped with a solid sample inlet.
Method for calibrating a Fourier transform ion cyclotron resonance mass spectrometer
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.
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. PMID:26651857
Kaiser, Nathan K; Savory, Joshua J; McKenna, Amy M; Quinn, John P; Hendrickson, Christopher L; Marshall, Alan G
2011-09-01
Complex natural organic mixtures such as petroleum require ultrahigh mass spectral resolution to separate and identify thousands of elemental compositions. Here, we incorporate a custom-built, voltage-compensated ICR cell for Fourier transform ion cyclotron resonance mass spectrometry (FTICR MS), based on a prior design by Tolmachev to produce optimal mass resolution. The compensated ICR cell installed in a custom-built 9.4 T FTICR mass spectrometer consists of seven cylindrical segments with axial proportions designed to generate a dc trapping potential that approaches an ideal three-dimensional axial quadrupolar potential. However, the empirically optimized compensation voltages do not correspond to the most quadrupolar trapping field. The compensation electrodes minimize variation in the reduced cyclotron frequency by balancing imperfections in the magnetic and electric field. The optimized voltages applied to compensation electrodes preserve ion cloud coherence for longer transient duration by approximately a factor of 2, enabling separation and identification of isobaric species (compounds with the same nominal mass but different exact mass) common in petroleum, such as C(3) vs SH(4) (separated by 3.4 mDa) and SH(3)(13)C vs (12)C(4) (separated by 1.1 mDa). The improved performance of the ICR cell provides more symmetric peak shape and better mass measurement accuracy. A positive ion atmospheric pressure photoionization (APPI) petroleum spectrum yields more than 26,000 assigned peaks, Fourier-limited resolving power of 800,000 at m/z 500 (6.6 s transient duration), and 124 part per billion root mean square (rms) error. The tunability of the compensation electrodes is critical for optimal performance. PMID:21838231
NASA Astrophysics Data System (ADS)
Guan, Shenheng; Marshall, Alan G.
1996-12-01
Stored waveform excitation produced by inverse Fourier transformation of a specified magnitude/phase excitation spectrum offers the most general and versatile means for broadband mass-selective excitation and ejection in Penning (FT-ICR) and Paul (quadrupole) ion trap mass spectrometry. Since the last comprehensive review of SWIFT excitation in 1987, the technique has been adopted, modified, and extended widely in both the ICR and quadrupole ion trap communities. Here, we review the principles, variations, algorithms, hardware implementation, and some applications of SWIFT for both ICR and quadrupole ion trap mass spectrometry. We show that the most desirable SWIFT waveform is that optimized to reduce both the time-domain SWIFT maximum amplitude and the amplitude near the start and end of the SWIFT waveform. We examine the "true" magnitude excitation spectrum, obtained by zero-filling and forward Fourier transforming the SWIFT time-domain waveform, in order to evaluate the trade-off between spectral magnitude uniformity and frequency (mass) selectivity. Apodization of the SWIFT waveform is optimally conducted by smoothing the excitation magnitude spectrum prior to generation of the SWIFT waveform by inverse FT. When (as for broadband ejection in a quadrupole ion trap) it is important that ions be excited near-simultaneously over a wide mass range, the phase spectrum (before inverse FT to generate the SWIFT waveform) may be overmodulated or randomly modulated ("filtered noise field"), with the recognition that very substantial non-uniformity in the "true" excitation magnitude spectrum will result.
Laskin, Julia; Beck, Kenneth M.; Hache, John J.; Futrell, Jean H.
2004-01-15
Intermediate pressure matrix assisted laser ionization (MALDI) source was constructed and interfaced with a 6T Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) specially configured for surface-induced dissociation (SID) studies.
Watson, C.H.; Eyler, J.R.; Barshick, C.M.; Wronka, J.; Laukien, F.H.
1996-02-01
A new pulsed-gas glow discharge (GD) source has been developed for use with an external ion source Fourier transform ion cyclotron resonance (FTICR) mass spectrometer. With pulsed argon gas introduction into the GD source, the gas load and pressure in the mass analyzer region were greatly reduced; this resulted in improved mass resolution. Mass resolution of greater than 145000 (fwhm) has been achieved for Cu{sup +} ions from a brass sample, the highest reported for any type of GD mass spectrometer. The pulsed-gas GD source promises analytical usefulness for ultrahigh resolution measurements in GD mass spectrometry. 16 refs., 3 figs.
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. PMID:8633761
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.
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. Graphical Abstract ᅟ. PMID:27220844
NASA Astrophysics Data System (ADS)
Anupriya; Jones, Chad A.; Dearden, David V.
2016-05-01
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.
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. PMID:22268609
Vilkov, Andrey N.; Bogdanov, Bogdan; Pasa-Tolic, Liljiana; Prior, David C.; Anderson, Gordon A.; Masselon, Christophe D.; Moore, Ronald J.; Smith, Richard D.
2004-11-01
A new collision-induced dissociation (CID) technique based on broadband tailored noise waveform (TNW) excitation of ions stored in a linear ion trap has been developed. In comparison with the conventional sustained off-resonance irradiation (SORI) CID method commonly used in Fourier transform ion cyclotron resonance mass spectrometry, this MS/MS technique increases throughput by eliminating the long pump-down delay associated with gas introduction into the high vacuum ICR cell region. In addition, the TNW-CID method speeds spectrum acquisition since it does not require Fourier transformation, calculation of resonant frequencies and generation of the excitation waveforms. We demonstrate TNW-CID coupled with on-line capillary reverse phase liquid chromatography separations for identification of peptides. The experimental results are compared with data obtained using conventional quadrupole ion trap MS/MS and SORI-CID MS/MS in an ICR cell.
Zhou, Xibin; Shi, Quan; Zhang, Yahe; Zhao, Suoqi; Zhang, Rui; Chung, Keng H; Xu, Chunming
2012-04-01
A novel technique was developed for characterization of saturated hydrocarbons. Linear alkanes were selectively oxidized to ketones by ruthenium ion catalyzed oxidation (RICO). Branched and cyclic alkanes were oxidized to alcohols and ketones. The ketones were then reduced to alcohols by lithium aluminum hydride (LiAlH(4)). The monohydric alcohols (O(1)) in the products obtained from the RICO and RICO-LiAlH(4) reduction reactions were characterized using negative-ion electrospray ionization (ESI) Fourier transform ion cyclotron resonance mass spectrometry (FTICR MS) for identification of iso-paraffins, acyclic paraffins and cyclic paraffins. Various model saturated compounds were used to determine the RICO reaction and ionization selectivity. The results from the FTICR MS analysis on the petroleum distillates derived saturated fraction were in agreement with those from field ionization gas chromatography time-of-flight mass spectrometry (FI GC-TOF MS) analysis. The technique was also used to characterize a petroleum vacuum residue (VR) derived saturates. The results showed that the saturated molecules in the VR contained up to 11 cyclic rings, and the maximum carbon number was up to 92. PMID:22424498
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.
Alvarez, Jormarie; Cooks, Robert G.; Barlow, Stephan E.; Gaspar, Dan J.; Futrell, Jean H.; Laskin, Julia
2005-06-01
Mass-selected peptide ions produced by electrospray ionization were deposited onto fluorinated self-assembled monolayer surfaces (FSAM) surfaces by soft-landing using a Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) specially designed for studying interactions of large ions with surfaces. Analysis of the modified surface was performed in situ by combining 2 keV Cs+ secondary ion mass spectrometry with FT-ICR detection of the sputtered ions (FT-ICR-SIMS). Regardless of the initial charge state of the precursor ion, the SIMS mass spectra included singly-protonated peptide fragment ions and peaks characteristic of the surfaces in all cases. In some experiments multiply-protonated peptide ions and [M+Au]+ ions were also observed upon SIMS analysis of modified surfaces. For comparison with the in situ analysis of the modified surfaces, ex situ analysis of some of the modified surfaces was performed by 25 kV Ga+ time of flight ? secondary ion mass spectrometry (ToF-SIMS). The ex situ analysis demonstrated that a significant number of soft-landed peptide ions remain charged on the surface even when exposed to air for several hours after deposition. Charge retention of soft-landed ions dramatically increases the ion yields obtained during SIMS analysis very sensitive detection of deposited material at less than 1% of monolayer coverage. Accumulation of charged species on the surface undergoes saturation due to Coulomb repulsion between charges at close to 30% coverage. We estimated that close to 1 ng of peptide could be deposited on the spot area of 4 mm2 of the FSAM surface without reaching saturation.
Hendrickson, Christopher L; Quinn, John P; Kaiser, Nathan K; Smith, Donald F; Blakney, Greg T; Chen, Tong; Marshall, Alan G; Weisbrod, Chad R; Beu, Steven C
2015-09-01
We describe the design and initial performance of the first 21 tesla Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. The 21 tesla magnet is the highest field superconducting magnet ever used for FT-ICR and features high spatial homogeneity, high temporal stability, and negligible liquid helium consumption. The instrument includes a commercial dual linear quadrupole trap front end that features high sensitivity, precise control of trapped ion number, and collisional and electron transfer dissociation. A third linear quadrupole trap offers high ion capacity and ejection efficiency, and rf quadrupole ion injection optics deliver ions to a novel dynamically harmonized ICR cell. Mass resolving power of 150,000 (m/Δm(50%)) is achieved for bovine serum albumin (66 kDa) for a 0.38 s detection period, and greater than 2,000,000 resolving power is achieved for a 12 s detection period. Externally calibrated broadband mass measurement accuracy is typically less than 150 ppb rms, with resolving power greater than 300,000 at m/z 400 for a 0.76 s detection period. Combined analysis of electron transfer and collisional dissociation spectra results in 68% sequence coverage for carbonic anhydrase. The instrument is part of the NSF High-Field FT-ICR User Facility and is available free of charge to qualified users. PMID:26091892
NASA Astrophysics Data System (ADS)
Hendrickson, Christopher L.; Quinn, John P.; Kaiser, Nathan K.; Smith, Donald F.; Blakney, Greg T.; Chen, Tong; Marshall, Alan G.; Weisbrod, Chad R.; Beu, Steven C.
2015-09-01
We describe the design and initial performance of the first 21 tesla Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. The 21 tesla magnet is the highest field superconducting magnet ever used for FT-ICR and features high spatial homogeneity, high temporal stability, and negligible liquid helium consumption. The instrument includes a commercial dual linear quadrupole trap front end that features high sensitivity, precise control of trapped ion number, and collisional and electron transfer dissociation. A third linear quadrupole trap offers high ion capacity and ejection efficiency, and rf quadrupole ion injection optics deliver ions to a novel dynamically harmonized ICR cell. Mass resolving power of 150,000 ( m/Δm 50% ) is achieved for bovine serum albumin (66 kDa) for a 0.38 s detection period, and greater than 2,000,000 resolving power is achieved for a 12 s detection period. Externally calibrated broadband mass measurement accuracy is typically less than 150 ppb rms, with resolving power greater than 300,000 at m/z 400 for a 0.76 s detection period. Combined analysis of electron transfer and collisional dissociation spectra results in 68% sequence coverage for carbonic anhydrase. The instrument is part of the NSF High-Field FT-ICR User Facility and is available free of charge to qualified users.
Marto, J A; Marshall, A G; May, M A; Limbach, P A
1995-10-01
An electrostatic ion guide (EIG) that consists of concentric cylinder and central wire electrodes can transport ions efficiently from an external ion source to an ion cyclotron resonance (ICR) ion trap for mass analysis, with several advantages over current injection methods. Because the electrostatic force of the EIG captures ions in a stable orbit about the wire electrode, ions with initially divergent trajectories may be redirected toward the ICR ion trap for improved ion transmission efficiency. SIMION trajectory calculations (ion kinetic energy, 1-200 eV; elevation angle, 0.30 °; azimuthal angle, 0.360°) predict that ions of m/z 1000 may be transmitted through a strong (0.01 → 3.0-T) magnetic field gradient. Judicious choice of ion source position and EIG potential minimizes the spread in ion axial kinetic energy at the ICR ion trap. Advantages of the EIG include large acceptance angle, even for ions that have large initial kinetic energy and large radial displacement with respect to the central z-axis, low ion extraction voltage (5-20 V), and efficient trapping because ions need not be accelerated to high velocity to pass through the magnetic field gradient. PMID:24214038
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. PMID:15914017
Wu, Si; Zhang, Kai; Kaiser, Nathan K.; Bruce, James E.; Prior, David C.; Anderson, Gordon A.
2006-04-17
Atmospheric pressure ion sources such as electrospray ionization (ESI) and atmospheric pressure matrix assisted laser desorption ionization (AP-MALDI) are widely used with mass spectrometry for proteomics studies. Other newly developed atmospheric ion sources include desorption electrospray ionization (DESI). For these ionization methods, analyte ions created at atmospheric pressure are transferred to the high vacuum region for mass analysis after several stages of differential pumping. It has been reported that overall charge transmission between the ion source and the first vacuum stage is primarily dependent upon the proximity of the emitter and gas conductance of the interface inlet. We therefore developed an atmospheric pressure interface using flared inlet tubes. This report highlights our results obtained by coupling the customized flared inlet tubes with a Fourier transfer ion cyclotron resonance mass spectrometer (FT-ICRMS). We have also investigated the new interface with different types of atmospheric pressure ionization methods. For most of the ionization methods we investigated, such as ESI and DESI, increased ion current transmitted from the atmospheric pressure ion source to the first stage vacuum system was observed with the use of our enhanced ion inlet designs. The ion intensity that was detected with the flared inlet tube on a FT-ICRMS was also observed to increase {approx} 2-5 fold using ESI or DESI with the flared tube inlet. Moreover, increased spray tip positional tolerance was observed with implementation of the flared inlet tube. We also include our preliminary results obtained by coupling APMALDI with flared inlet tube in this paper. For AP-MALDI, the measured ion current transferred through the flared inlet tube was about 3 times larger than the ion current through the control non-flared inlet tube.
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.
Barrow, Mark P; Witt, Matthias; Headley, John V; Peru, Kerry M
2010-05-01
The Athabasca oil sands in Canada are a less conventional source of oil which have seen rapid development. There are concerns about the environmental impact, with particular respect to components in oil sands process water which may enter the aquatic ecosystem. Naphthenic acids have been previously targeted for study, due to their implications in toxicity toward aquatic wildlife, but it is believed that other components, too, contribute toward the potential toxicity of the oil sands process water. When mass spectrometry is used, it is necessary to use instrumentation with a high resolving power and mass accuracy when studying complex mixtures, but the technique has previously been hindered by the range of compounds that have been accessible via common ionization techniques, such as electrospray ionization. The research described here applied Fourier transform ion cyclotron resonance mass spectrometry in conjunction with electrospray ionization and atmospheric pressure photoionization, in both positive-ion and negative-ion modes, to the characterization of oil sands process water for the first time. The results highlight the need for broader characterization when investigating toxic components within oil sands process water. PMID:20359201
Le, Cuong H; Han, Jun; Borchers, Christoph H
2012-10-01
To fill the unmet need for improved matrixes for matrix-assisted laser desorption ionization (MALDI) tissue imaging of small molecules, dithranol (DT)--a matrix mainly used for the analysis of synthetic polymers--was evaluated for detection of lipids in rat liver and bovine calf lens, using MALDI Fourier transform ion cyclotron resonance mass spectrometry (FTICR MS). The use of DT resulted in better detection of endogenous lipids than did two other commonly used matrixes, α-cyano-4-hydroxycinnamic acid (CHCA) and 2,5-dihydroxybenzoic acid (DHB), with >70 lipid entities (including phosphatidylcholines, phosphatidylethanolamines, sphingomyelins, phosphatidylserines, phosphatidylglycerol, phosphatidic acids, ceramide phosphates, sterol lipids, acyl carnitines, and glycerides) being detected in rat liver and bovine lens tissue sections, using positive-ion detection. Using saturated DT in chloroform/methanol (2:1, v/v), with 1% formic acid in the final mixture, 57 lipid entities were successfully imaged from bovine calf lens, with clear and distinct distribution patterns. In a section across the lens equatorial plane, all compounds showed concentric distributions around the lens nucleus and most showed specific abundance changes, which correlated with lens fiber cell age. As a novel finding, palmitoylcarnitine and oleoylcarnitine were found uniquely localized to the younger lens fiber cell cortex region. This work demonstrates the potential of DT as a new matrix for tissue imaging by MALDI-FTICR MS. PMID:22931516
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.
Goodwin, Richard J A; Pitt, Andrew R; Harrison, David; Weidt, Stefan K; Langridge-Smith, Pat R R; Barrett, Michael P; Logan Mackay, C
2011-04-15
Mass spectrometry imaging (MSI) is a powerful tool in metabolomics and proteomics for the spatial localization and identification of pharmaceuticals, metabolites, lipids, peptides and proteins in biological tissues. However, sample preparation remains a crucial variable in obtaining the most accurate distributions. Common washing steps used to remove salts, and solvent-based matrix application, allow analyte spreading to occur. Solvent-free matrix applications can reduce this risk, but increase the possibility of ionisation bias due to matrix adhesion to tissue sections. We report here the use of matrix-free MSI using laser desorption ionisation performed on a 12 T Fourier transform ion cyclotron resonance (FTICR) mass spectrometer. We used unprocessed tissue with no post-processing following thaw-mounting on matrix-assisted laser desorption ionisation (MALDI) indium-tin oxide (ITO) target plates. The identification and distribution of a range of phospholipids in mouse brain and kidney sections are presented and compared with previously published MALDI time-of-flight (TOF) MSI distributions. PMID:21416534
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
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.
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.
Imaging Fourier transform spectrometer
Bennett, C.L.
1993-09-13
This invention is comprised of an imaging Fourier transform spectrometer having a Fourier transform infrared spectrometer providing a series of images to a focal plane array camera. The focal plane array camera is clocked to a multiple of zero crossing occurrences as caused by a moving mirror of the Fourier transform infrared spectrometer and as detected by a laser detector such that the frame capture rate of the focal plane array camera corresponds to a multiple of the zero crossing rate of the Fourier transform infrared spectrometer. The images are transmitted to a computer for processing such that representations of the images as viewed in the light of an arbitrary spectral ``fingerprint`` pattern can be displayed on a monitor or otherwise stored and manipulated by the computer.
Pól, Jaroslav; Vidová, Veronika; Kruppa, Gary; Kobliha, Václav; Novák, Petr; Lemr, Karel; Kotiaho, Tapio; Kostiainen, Risto; Havlícek, Vladimír; Volný, Michael
2009-10-15
A fully automated atmospheric pressure ionization platform has been built and coupled with a commercial high-resolution Fourier transform ion cyclotron resonance mass spectrometer (FTICR-MS) instrument. The outstanding performance of this instrument allowed screening on the basis of exact masses in imaging mode. The main novel aspect was in the integration of the atmospheric pressure ionization imaging into the current software for matrix-assisted laser desorption ionization (MALDI) imaging, which allows the user of this commercial dual-source mass spectrometer to perform MALDI-MS and different ambient MS imaging from the same user interface and to utilize the same software tools. Desorption electrospray ionization (DESI) and desorption atmospheric pressure photoionization (DAPPI) were chosen to test the ambient surface imaging capabilities of this new ionization platform. Results of DESI imaging experiments performed on brain tissue sections are in agreement with previous MS imaging reports obtained by DESI imaging, but due to the high resolution and mass accuracy of the FTICR instrument it was possible to resolve several ions at the same nominal mass in the DESI-MS spectra of brain tissue. These isobaric interferences at low resolution are due to the overlap of ions from different lipid classes with different biological relevance. It was demonstrated that with the use of high-resolution MS fast imaging screening of lipids can be achieved without any preseparation steps. DAPPI, which is a relatively new and less developed ambient ionization technique compared to DESI, was used in imaging mode for the first time ever. It showed promise in imaging of phytocompounds from plant leaves, and selective ionization of a sterol lipid was achieved by DAPPI from a brain tissue sample. PMID:19761221
Cao, Dong; Huang, Huogao; Hu, Ming; Cui, Lin; Geng, Fanglan; Rao, Ziyu; Niu, Hongyun; Cai, Yaqi; Kang, Yuehui
2015-03-25
Natural organic matter (NOM) is a complex and non-uniform mixture of organic compounds which plays an important role in environmental processes. Due to the complexity, it is challenging to obtain fully detailed structural information about NOM. Although Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) has been demonstrated to be a powerful tool for providing molecular information about NOM, multiple ionization methods are needed for comprehensive characterization of NOM at the molecular level considering the ionizing selectivity of different ionization methods. This paper reports the first use of matrix assisted laser desorption/ionization (MALDI) method coupled with FT-ICR-MS for molecular characterization of NOM within a mass range of 200-800 Da. The mass spectral data obtained by MALDI were systematically compared with data generated by electrospray ionization (ESI). It showed that complementary molecular information about NOM which could not be detected by ESI, were provided by MALDI. More unsaturated and aromatic constituents of NOM with lower O/C ratio (O/C ratio<0.5) were preferentially ionized in MALDI negative mode, whereas more polar constituents of NOM with higher O/C ratio were preferentially ionized in ESI negative mode. Molecular anions of NOM appearing at even m/z in MALDI negative ion mode were detected. The results show that NOM molecules with aromatic structures, moderate O/C ratio (0.7>O/C ratio>0.25) and lower H/C ratio were liable to form molecular anions at even m/z, whereas those with higher H/C ratio are more likely to form deprotonated ions at odd m/z. It is speculated that almost half of the NOM molecules identified by MALDI may be aromatic or condensed aromatic compounds with special groups which are liable to absorb electron from other molecules to generate free radical anions during MALDI ionization. PMID:25732692
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
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. PMID:24033143
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. PMID:24180747
NASA Astrophysics Data System (ADS)
Koch, Boris P.; Witt, Matthias; Engbrodt, Ralph; Dittmar, Thorsten; Kattner, Gerhard
2005-07-01
The chemical structure of refractory marine dissolved organic matter (DOM) is still largely unknown. Electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI FT-ICR-MS) was used to resolve the complex mixtures of DOM and provide valuable information on elemental compositions on a molecular scale. We characterized and compared DOM from two sharply contrasting aquatic environments, algal-derived DOM from the Weddell Sea (Antarctica) and terrigenous DOM from pore water of a tropical mangrove area in northern Brazil. Several thousand molecular formulas in the mass range of 300-600 Da were identified and reproduced in element ratio plots. On the basis of molecular elemental composition and double-bond equivalents (DBE) we calculated an average composition for marine DOM. O/C ratios in the marine samples were lower (0.36 ± 0.01) than in the mangrove pore-water sample (0.42). A small proportion of chemical formulas with higher molecular mass in the marine samples were characterized by very low O/C and H/C ratios probably reflecting amphiphilic properties. The average number of unsaturations in the marine samples was surprisingly high (DBE = 9.9; mangrove pore water: DBE = 9.4) most likely due to a significant contribution of carbonyl carbon. There was no significant difference in elemental composition between surface and deep-water DOM in the Weddell Sea. Although there were some molecules with unique marine elemental composition, there was a conspicuous degree of similarity between the terrigenous and algal-derived end members. Approximately one third of the molecular formulas were present in all marine as well as in the mangrove samples. We infer that different forms of microbial degradation ultimately lead to similar structural features that are intrinsically refractory, independent of the source of the organic matter and the environmental conditions where degradation took place.
Podgorski, David C; Hamdan, Rasha; McKenna, Amy M; Nyadong, Leonard; Rodgers, Ryan P; Marshall, Alan G; Cooper, William T
2012-02-01
We present a new method for molecular characterization of intact biochar directly, without sample preparation or pretreatment, on the basis of desorption atmospheric pressure photoionization (DAPPI) coupled to Fourier transform ion cyclotron resonance (FTICR) mass spectrometry. Conventional ionization methods (e.g., electrospray or atmospheric pressure photoionization) for characterization of natural organic matter have limited utility for the characterization of chars due to incomplete solubility in common solvents. Therefore, direct ionization techniques that do not require sample dissolution prior to analysis are ideal. Here, we apply DAPPI FTICR mass spectrometry to enable the first molecular characterization of uncharred parent oak biomass and after combustion (250 °C) or pyrolysis (400 °C). Parent oak is primarily composed of cellulose-, lignin-, and resin-like compounds. Oak combusted at 250 °C contains condensed aromatic compounds with low H/C and O/C ratios while retaining compounds with high H/C and O/C ratios. The bimodal distribution of aromatic and aliphatic compounds observed in the combusted oak sample is attributed to incomplete thermal degradation of lignin and hemicellulose. Pyrolyzed oak constituents exhibit lower H/C and O/C ratios: approximately three-quarters of the identified species are aromatic. DAPPI FTICR MS results agree with bulk elemental composition as well as functional group distributions determined by elemental analysis and solid state (13)C NMR spectroscopy. Complete molecular characterization of biomass upon thermal transformation may provide insight into the biogeochemical cycles of biochar and future renewable energy sources, particularly for samples currently limited by solubility, separation, and sample preparation. PMID:22242739
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.
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
Fourier Transform Spectrometer
NASA Technical Reports Server (NTRS)
1998-01-01
Understanding the global atmospheric changes is difficult with today's current technology. However, with high resolution and nearly continuous observations from a satellite, it's possible to transform our understanding of the atmosphere. To enable the next generation of atmospheric science, a new class of orbiting atmospheric sensors is being developed. The foundation of this advanced concept is the Fourier Transform Spectrometer, or FTS.
Li, G Z; Vining, B A; Guan, S; Marshall, A G
1996-01-01
We present the design and preliminary results from a Fourier transform ion cyclotron resonance (ICR) mass spectrometer developed for the direct detection of UV/visible laser-induced fluorescence of trapped, mass-selected, gas-phase ions. A 3 T superconducting magnet and an open-ended multi-section cylindrical Penning trap capture and confine ions created by electron impact or laser desorption. Azimuthal quadrupolar excitation in the presence of ion/neutral collisions cools, axializes and mass selects ions as they fill the trap. A pulsed dye laser pumped by an Nd:YAG laser provides electronic energy excitation. A Brewster window and baffles on each side of the vacuum chamber reduce the scattered light from the excitation laser. Laser-induced fluorescence is collected from mirrors and lenses and directed through a quartz window and fiber-optic bundle to a photomultiplier. The ICR and optical events are controlled by a modular ICR data station and GPIB and RS-232 interfaces. An excitation spectrum is demonstrated for atomic Ba+ ions, and should extend to laser-induced fluorescence of virtually any stable positive or negative gas-phase ions of arbitrary molecular weight: molecular or quasimolecular ions, fragment ions, adduct ions, and ions formed from ion/molecule reactions. PMID:8953788
Chen, T; Beu, S C; Kaiser, N K; Hendrickson, C L
2014-06-01
A conventional Fourier transform-Ion Cyclotron Resonance (ICR) detection cell is azimuthally divided into four equal sections. One pair of opposed electrodes is used for ion cyclotron excitation, and the other pair for ion image charge detection. In this work, we demonstrate that an appropriate electrical circuit facilitates excitation and detection on one pair of opposed electrodes. The new scheme can be used to minimize the number of electrically independent ICR cell electrodes and/or improve the electrode geometry for simultaneously increased ICR signal magnitude and optimal post-excitation radius, which results in higher signal-to-noise ratio and decreased space-charge effects. PMID:24985871
Fantinel, Fabiana; Rieger, Jens; Molnar, Ferenc; Hübler, Patrick
2004-03-30
The attenuated total reflectance Fourier transform infrared dialysis technique is introduced for the time-resolved investigation of the binding processes of Ca2+ to polyacrylates dissolved in water. We observed transient formation of intermediates in water with various types of coordination of the carboxylate group to Ca2+ throughout the complexation steps. Time-resolved changes in the spectra were analyzed with principal component analysis, from which the spectral species were obtained as well as their formation kinetics. We propose a model for the mechanisms of Ca2+ coordination to polyacrylates. The polymer chain length plays an important role in Ca2+ binding. PMID:15835120
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
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. PMID:26734034
Becker, Loïc; Poutaraud, Anne; Hamm, Grégory; Muller, Jean-François; Merdinoglu, Didier; Carré, Vincent; Chaimbault, Patrick
2013-09-17
Grapevine is of worldwide economic importance due to wine production. However, this culture is often affected by pathogens causing severe harvest losses. Understanding host-pathogen relationships may be a key to solve this problem. In this paper, we evaluate the direct flow injection by electrospray - Fourier transform ion cyclotron resonance mass spectrometry (MS) of leaf extracts as a rapid method for the study of grapevine response to downy mildew (Plasmopara viticola) attack. The comparison of MS profiles obtained from control and infected leaves of different levels of resistant grapevines highlights several classes of metabolites (mainly saccharides, acyl lipids, hydroxycinnamic acids derivatives and flavonoids) which are identified using high resolution MS and tandem MS (MS/MS). Statistical analyses of 19 markers show a clear segregation between inoculated and healthy samples. This study points out relative high levels of disaccharides, acyl lipids and glycerophosphoinositol in inoculated samples. Sulfoquinovosyl diacylglycerols also emerge as possible metabolites involved in plant defense. PMID:23998536
Imaging Fourier Transform Spectrometer
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.
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.
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).
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
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
Mihalca, Romulus; van der Burgt, Yuri E M; McDonnell, Liam A; Duursma, Marc; Cerjak, Iliya; Heck, Albert J R; Heeren, Ron M A
2006-01-01
A novel set-up for Fourier transform ion cyclotron resonance mass spectrometry (FTICR) is reported for simultaneous infrared multiphoton dissociation (IRMPD) and electron-capture dissociation (ECD). An unmodified electron gun ensures complete, on-axis overlap between the electron and the photon beams. The instrumentation, design and implementation of this novel approach are described. In this configuration the IR beam is directed into the ICR cell using a pneumatically actuated mirror inserted into the ion-optical path. Concept validation was made using different combinations of IRMPD and ECD irradiation events on two standard peptides. The ability to perform efficient IRMPD, ECD and especially simultaneous IRMPD and ECD using lower irradiation times is demonstrated. The increase in primary sequence coverage, with the combined IRMPD and ECD set-up, also increases the confidence in peptide and protein assignments. PMID:16705647
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
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
Gaspar, Andras; Lucio, Marianna; Harir, Mourad; Schmitt-Kopplin, Philippe
2011-01-01
The formation of boron esters was investigated in peat-soluble humified materials with a detailed molecular-level description of boron-organic interactions. Thousands of individually baseline separated signals were obtained from the analysis of natural organic matter of peat samples, using Fourier transform ion cyclotron resonance mass spectrometry. This technique offers unsurpassed isotope-specific mass resolution that can lead to precise molecular formula assignments by means of mathematical data analysis and visualisation techniques, such as mass defect (Kendrick) or elemental ratio (van Krevelen) plots. The analysis of potential boron binding structures within the sample of natural organic matter was described based on prior results. Herein, we describe an algorithm that can be used to effectively distinguish and filter complexes through data obtained from boron-enriched systems with highly intricate mass spectra, such as natural organic matter. PMID:21719921
Chéty-Gimondo, Rachel; Aubriet, Frédéric; Millon, Eric; Muller, J-F
2004-01-01
The ions generated by laser ablation (LA) of calcium and gadolinium oxoborate GdCa4O(BO3)3 (GdCOB) were investigated by Fourier transform ion cyclotron resonance mass spectrometry (FTICRMS), a powerful tool for the characterization of ionic species produced by laser interaction with solid material. In order to better understand the matter transfer and the mechanism of thin film growth by pulsed-laser deposition (PLD), cationic and anionic clusters generated by UV laser ablation of GdCOB bulk material were studied. Laser ablation of GdCOB leads to the formation of various cluster ions which result from association of CaO, BO and B2O3 building blocks (BB) with different charge carriers (CC): H+, BO+, GdO+ in positive ion mode, and BO2-, OK-, OH-, Cl-, WO3- in negative ion mode. LA-FTICRMS investigations allow us to assign a valence state to each metallic atom included in each BB. A +II chemical state may be associated with calcium and +II and +III ones to boron. UV laser ablation of GdCOB therefore induces reduction processes of boron species in the gas phase. The oxygen reactive atmosphere used during PLD experiments allows the growth of stoichiometric thin films by fixation of oxygen on the ablated species. PMID:15529417
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. PMID:21472569
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.
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. PMID:26115966
Bianco, Giuliana; Battista, Fabio; Buchicchio, Alessandro; Amarena, Concetta G; Schmitt-Kopplin, Philippe; Guerrieri, Antonio
2015-01-01
Arginine-vasopressin (AVP) and lysine-vasopressin (LVP) were analyzed by reversed-phase liquid chromatography/mass spectrometry (LC-MS) using Fourier-transform ion cyclotron resonance (FT-ICR) mass spectrometry (MS) electrospray ionization (ESI) in the positive ion mode. LVP and AVP exhibited the protonated adduct [M+H](+) as the predominant ion at m/z 1056.43965 and at m/z 1084.44561, respectively. Infrared multiphoton dissociation (IRMPD), using a CO(2) laser source at a wavelength of 10.6 μm, was applied to protonated vasopressin molecules. The IRMPD mass spectra presented abundant mass fragments essential for a complete structural information. Several fragment ions, shared between two target molecules, are discussed in detail. Some previously unpublished fragments were identified unambiguously utilizing the high resolution and accurate mass information provided by the FT-ICR mass spectrometer. The opening of the disulfide loop and the cleavage of the peptide bonds within the ring were observed even under low-energy fragmentation conditions. Coupling the high-performance FT-ICR mass spectrometer with IRMPD as a contemporary fragmentation technique proved to be very promising for the structural characterization of vasopressin. PMID:26307701
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.
Tsybin, Youri O; Witt, Matthias; Baykut, Gökhan; Kjeldsen, Frank; Håkansson, Per
2003-01-01
An electron injection system based on an indirectly heated ring-shaped dispenser cathode has been developed and installed in a 7 Tesla Fourier transform ion cyclotron resonance (FTICR) mass spectrometer. This new hardware design allows high-rate electron capture dissociation (ECD) to be carried out by a hollow electron beam coaxial with the ion cyclotron resonance (ICR) trap. Infrared multiphoton dissociation (IRMPD) can also be performed with an on-axis IR-laser beam passing through a hole at the centre of the dispenser cathode. Electron and photon irradiation times of the order of 100 ms are required for efficient ECD and IRMPD, respectively. As ECD and IRMPD generate fragments of different types (mostly c, z and b, y, respectively), complementary structural information that improves the characterization of peptides and proteins by FTICR mass spectrometry can be obtained. The developed technique enables the consecutive or simultaneous use of the ECD and IRMPD methods within a single FTICR experimental sequence and on the same ensemble of trapped ions in multistage tandem (MS/MS/MS or MS(n)) mass spectrometry. Flexible changing between ECD and IRMPD should present advantages for the analysis of protein digests separated by liquid chromatography prior to FTICRMS. Furthermore, ion activation by either electron or laser irradiation prior to, as well as after, dissociation by IRMPD or ECD increases the efficiency of ion fragmentation, including the w-type fragment ion formation, and improves sequencing of peptides with multiple disulfide bridges. The developed instrumental configuration is essential for combined ECD and IRMPD on FTICR mass spectrometers with limited access into the ICR trap. PMID:12872281
Electrocardiogram analysis through time discrete Fourier transform
NASA Astrophysics Data System (ADS)
Lancaster, Cameron; Zhang, Guoping
2011-03-01
The motivation for this research is to find an alternative method to diagnose heart conditions. This can be accomplished by analyzing wave patterns in EKG data, and using the Fourier Transform to compare steady wave patterns against fibrillating wave patterns. The two main contributors are the following: heart electricity and Fourier Transform. Also, it is recognized that ion movement has potential to change the frequency in any heart beat signal. This effect is caused due to a strong electrostatic attraction that causes the membrane capacitance to build charge. For a single ion focus, the Nernst Potential influences the equilibrium potential for the membrane of an ion. If two or more ions are contributing to an electric field charge, the Goldman-Hodgkin-Katz will find the membrane equilibrium potential. If a membrane has an efflux, or influx, of ions, then it is possible to get the passive flow of the electric current to zero. In continued research, we will gain knowledge of solving equations; such as ionic flux, quantitative diffusion, electric current density, and more. The finishing portion of this research will be to compare the Fourier Transformed wave graphs to determine heart conditions. Supported by U.S. Department of Energy under Contract No. DE-FG02-06ER46304 and Indiana State University.
Le, Cuong H.; Han, Jun; Borchers, Christoph H.
2013-01-01
Mass spectrometry imaging (MSI) determines the spatial localization and distribution patterns of compounds on the surface of a tissue section, mainly using MALDI (matrix assisted laser desorption/ionization)-based analytical techniques. New matrices for small-molecule MSI, which can improve the analysis of low-molecular weight (MW) compounds, are needed. These matrices should provide increased analyte signals while decreasing MALDI background signals. In addition, the use of ultrahigh-resolution instruments, such as Fourier transform ion cyclotron resonance (FTICR) mass spectrometers, has the ability to resolve analyte signals from matrix signals, and this can partially overcome many problems associated with the background originating from the MALDI matrix. The reduction in the intensities of the metastable matrix clusters by FTICR MS can also help to overcome some of the interferences associated with matrix peaks on other instruments. High-resolution instruments such as the FTICR mass spectrometers are advantageous as they can produce distribution patterns of many compounds simultaneously while still providing confidence in chemical identifications. Dithranol (DT; 1,8-dihydroxy-9,10-dihydroanthracen-9-one) has previously been reported as a MALDI matrix for tissue imaging. In this work, a protocol for the use of DT for MALDI imaging of endogenous lipids from the surfaces of mammalian tissue sections, by positive-ion MALDI-MS, on an ultrahigh-resolution hybrid quadrupole FTICR instrument has been provided. PMID:24300588
Petre, Brínduşa-Alina; Youhnovski, Nikolay; Lukkari, Juho; Weber, Reinhold; Przybylski, Michael
2005-01-01
Nitration of tyrosine residues in proteins may occur in cells upon oxidative stress and inflammation processes mediated through generation of reactive nitroxyl from peroxynitrite. Tyrosine nitration from oxidative pathways may generate cytotoxic species that cause protein dysfunction and pathogenesis. A number of protein nitrations in vivo have been reported and some specific Tyrosine nitration sites have been recently identified using mass spectrometric methods. High-resolution Fourier transform ion cyclotron resonance mass spectrometry (MALDI) FT-ICR-MS) is shown here to be a highly efficient method in the determination of protein nitrations. Following the identification of nitration of the catalytic site Tyr-430 residue of bovine prostacyclin synthase, we synthesised several model peptides containing both unmodified tyrosine and 3-nitro-tyrosine residues, using solid-phase peptide synthesis (SPPS). The structures of the nitrotyrosine peptides were characterised both by ESI- and by matrix-assisted laser desorption/ionisation (MALDI)-FT-ICR-MS, using a standard ultraviolet (UV) nitrogen nitrogen laser and a 2.97 microm Nd-YAG infrared laser. Using UV-MALDI-MS, 3-nitrotyrosyl-peptides were found to undergo extensive photochemical fragmentation at the nitrophenyl group, which may hamper or prevent the unequivocal identification of Tyr-nitrations in cellular proteins. In contrast, infrared-MALDI-FT-ICR-MS did not produce fragmentation of molecular ions of Tyr-nitrated peptides. PMID:16322657
C. Doc Richardson; Nancy W. Hinman; Timothy R. McJunkin; J. Michelle Kotler; Jill R. Scott
2008-10-01
Geomatrix-assisted laser desorption/ionization (GALDI) in conjunction with a Fourier transform ion cyclotron resonance mass spectrometer (FTICR-MS) has been employed to determine how effectively bio/organic molecules associated with the mineral thenardite (Na2SO4) can be detected. GALDI is based on the ability of the mineral host to assist desorption and ionization of bio/organic molecules without additional sample preparation. When glycine was mixed with thenardite, glycine was deprotonated to produce C2H4NO-2 at m/z 74.025. The combination of stearic acid with thenardite produced a complex cluster ion at m/z 390.258 in the negative mode, which was assigned a composition ofC18H39O7Na-. Anatural sample of thenardite from Searles Lake in California also produced a peak at m/z 390.260. The bio/organic signatures in both the laboratory-based and natural samples were heterogeneously dispersed as revealed by chemical imaging. The detection limits for the stearic acid and thenardite combination were estimated to be 3 parts per trillion or~7 zeptomoles (10-21) per laser spot. Attempts to improve the signal-to-noise ratio by co-adding FTICR-MS data predetermined to contain the biosignatures of interest revealed problems due to a lack of phase coherence between data sets.
Le, Cuong H; Han, Jun; Borchers, Christoph H
2013-01-01
Mass spectrometry imaging (MSI) determines the spatial localization and distribution patterns of compounds on the surface of a tissue section, mainly using MALDI (matrix assisted laser desorption/ionization)-based analytical techniques. New matrices for small-molecule MSI, which can improve the analysis of low-molecular weight (MW) compounds, are needed. These matrices should provide increased analyte signals while decreasing MALDI background signals. In addition, the use of ultrahigh-resolution instruments, such as Fourier transform ion cyclotron resonance (FTICR) mass spectrometers, has the ability to resolve analyte signals from matrix signals, and this can partially overcome many problems associated with the background originating from the MALDI matrix. The reduction in the intensities of the metastable matrix clusters by FTICR MS can also help to overcome some of the interferences associated with matrix peaks on other instruments. High-resolution instruments such as the FTICR mass spectrometers are advantageous as they can produce distribution patterns of many compounds simultaneously while still providing confidence in chemical identifications. Dithranol (DT; 1,8-dihydroxy-9,10-dihydroanthracen-9-one) has previously been reported as a MALDI matrix for tissue imaging. In this work, a protocol for the use of DT for MALDI imaging of endogenous lipids from the surfaces of mammalian tissue sections, by positive-ion MALDI-MS, on an ultrahigh-resolution hybrid quadrupole FTICR instrument has been provided. PMID:24300588
Rummel, Julia L; McKenna, Amy M; Marshall, Alan G; Eyler, John R; Powell, David H
2010-03-01
Direct Analysis in Real Time (DART) is an ambient ionization technique for mass spectrometry that provides rapid and sensitive analyses with little or no sample preparation. DART has been reported primarily for mass analyzers of low to moderate resolving power such as quadrupole ion traps and time-of-flight (TOF) mass spectrometers. In the current work, a custom-built DART source has been successfully coupled to two different Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometers for the first time. Comparison of spectra of the isobaric compounds, diisopropyl methylphosphonate and theophylline, acquired by 4.7 T FT-ICR MS and TOF MS, demonstrates that the TOF resolving power can be insufficient for compositionally complex samples. 9.4 T FT-ICR MS yielded the highest mass resolving power yet reported with DART ionization for 1,2-benzanthracene and 9,10-diphenylanthracene. Polycyclic aromatic hydrocarbons exhibit a spatial dependence in ionization mechanisms between the DART source and the mass spectrometer. The feasibility of analyzing a variety of samples was established with the introduction and analysis of food products and crude oil samples. DART FT-ICR MS provides complex sample analysis that is rapid, highly selective and information-rich, but limited to relatively low-mass analytes. PMID:20187081
Shea, Ryan C; Petzold, Christopher J; Liu, Ji-Ang; Kenttämaa, Hilkka I
2007-03-01
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, 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 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 kilocalories per mole. 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 a similar internal energy as those evaporated via SALD. PMID:17263513
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.
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.
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
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.
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 C(n)H(2n-40)N(4)V(1)O(1) (36 ≤ n ≤ 58),C(n)H(2n-42)N(4)V(1)O(1) (37 ≤ n ≤ 57),C(n)H(2n-44)N(4)V(1)O(1) (38 ≤ n ≤ 59),C(n)H(2n-46)N(4)V(1)O(1) (43 ≤ n ≤ 54),C(n)H(2n-48)N(4)V(1)O(1) (45 ≤ n ≤ 55),C(n)H(2n-38)N(4)V(1)S(1)O(1) (36 ≤ n ≤ 41),C(n)H(2n-40)N(4)V(1)S(1)O(1) (35 ≤ n ≤ 51),C(n)H(2n-42)N(4)V(1)S(1)O(1) (36 ≤ n ≤ 54),C(n)H(2n-44)N(4)V(1)S(1)O(1) (41 ≤ n ≤ 55),C(n)H(2n-46)N(4)V(1)S(1)O(1) (39 ≤ n ≤ 55),C(n)H(2n-27)N(5)V(1)O(1) (29 ≤ n ≤ 40),C(n)H(2n-29)N(5)V(1)O(1) (34 ≤ n ≤ 42),C(n)H(2n-33)N(5)V(1)O(1) (31 ≤ n ≤ 38),C(n)H(2n-35)N(5)V(1)O(1) (32 ≤ n ≤ 41),C(n)H(2n-27)N(5)V(1)O(2) (32 ≤ n ≤ 41) and C(n)H(2n-29)N(5)V(1)O(2) (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
Håkansson, Kristina; Chalmers, Michael J; Quinn, John P; McFarland, Melinda A; Hendrickson, Christopher L; Marshall, Alan G
2003-07-01
We have mounted a permanent on-axis dispenser cathode electron source inside the magnet bore of a 9.4-T Fourier transform ion cyclotron resonance mass spectrometer. This configuration allows electron capture dissociation (ECD) to be performed reliably on a millisecond time scale. We have also implemented an off-axis laser geometry that enables simultaneous access to ECD and infrared multiphoton dissociation (IRMPD). Optimum performance of both fragmentation techniques is maintained. The analytical utility of performing either ECD or IRMPD on a given precursor ion population is demonstrated by structural characterization of several posttranslationally modified peptides: IRMPD of phosphorylated peptides results in few backbone (b- and y-type) cleavages, and product ion spectra are dominated by neutral loss of H3PO4. In contrast, ECD provides significantly more backbone (c- and z*-type) cleavages without loss of H3PO4. For N-glycosylated tryptic peptides, IRMPD causes extensive cleavage of the glycosidic bonds, providing structural information about the glycans. ECD cleaves all backbone bonds (except the N-terminal side of proline) in a 3-kDa glycopeptide with no saccharide loss. However, only a charge-reduced radical species and some side chain losses are observed following ECD of a 5-kDa glycopeptide from the same protein. An MS3 experiment involving IR laser irradiation of the charge-reduced species formed by electron capture results in extensive dissociation into c- and z-type fragment ions. Mass-selective external ion accumulation is essential for the structural characterization of these low-abundance (modified) peptides. PMID:12964777
NASA Astrophysics Data System (ADS)
Hongyou, Kenichi; Hattori, Takashi; Nagai, Youko; Tanaka, Toshihiro; Nii, Hiroyuki; Shoda, Kaoru
2013-12-01
Solvation/desolvation and the solid electrolyte interphase (SEI) formation at a graphite electrode during the initial charging process were investigated using in situ Fourier transform infrared spectroscopy (FTIR) measurements. These measurements were developed by applying a diamond attenuated total reflectance (ATR) crystal, which probed the electrolyte solvents at the surface of the graphite electrode and provided successive FTIR spectra with high signal-to-noise ratio. The charging process was performed in the Li(reference)/electrolyte/graphite(working)/Cu cell at a voltage ranging from 3.2 to 0.0001 V vs. Li/Li+. The measurement elucidated the change in the chemical bond of the electrolyte solvents. In an early stage, the amounts of solvated and desolvated solvents changed, providing evidence that the Li+ ions were intercalated into the graphite layer. The formation of the Li alkyl carbonate that forms the SEI layer was facilitated toward the end of the charging process. Measurements were also obtained of the electrolyte with a vinylene carbonate additive, and the contribution of the additive to the electrolyte solvent reduction was investigated.
NASA Astrophysics Data System (ADS)
Mead, R. N.; Mullaugh, K. M.; Avery, G. Brooks; Kieber, R. J.; Willey, J. D.; Podgorski, D. C.
2013-05-01
A series of seven rainwater samples were collected in Wilmington, North Carolina USA originating from both continental and coastal storms and analyzed by ultrahigh resolution Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS). This data set is unique in that it represents a detailed comparison of the molecular level composition of DOM in rainwater collected from distinctly different air mass back trajectories by FT-ICR MS. Approximately 25% of the roughly 2000 assigned CHO molecular formulas are unique to a single storm classification indicating the importance of air mass back trajectory on the composition of rainwater dissolved organic matter (DOM). Analysis of the unique molecular formula assignments highlighted distinct groupings of various bio- and geo-molecule classes with coastal storms containing unique formulas representative of lignin and cellulose-like formulas while continental storms had lipid-like formulas. A series of 18 distinct methylene oligomers were identified in coastal storms and 13 unique methylene oligomers in continental storms, suggesting oligomer formation is ubiquitous in rainwater albeit different for each storm classification. Oligomers of small acids and C3H4O2 were detected in both storm types indicating their processing may be similar in both back trajectories. Condensed aromatic hydrocarbons were detected in continental storms with phenol moieties that are not as oxidized as similar compounds detected in aquatic DOM.
NASA Astrophysics Data System (ADS)
Mead, R. N.; Mullaugh, K. M.; Avery, G. B.; Kieber, R. J.; Willey, J. D.; Podgorski, D. C.
2012-12-01
A series of seven rainwater samples were collected in Wilmington, North Carolina (USA), originating from both continental and coastal storms and analyzed by ultrahigh resolution Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS). This data set is unique in that it represents a detailed comparison of the molecular level composition of DOM in rainwater collected from distinctly different air mass back trajectories by FTICR-MS. Approximately 25% of the roughly 2000 assigned CHO molecular formulas are unique to each storm classification indicating the importance of air mass back trajectory on the composition of rainwater dissolved organic matter (DOM). Analysis of the unique molecular formula assignments highlighted distinct groupings of various bio- and geo-molecule classes with coastal storms containing unique formulas representative of lignin and cellulose-like formulas, while continental storms had lipid-like formulas. A series of 18 distinct methylene oligomers were identified in coastal storms with 13 unique methylene oligomers in continental storms suggesting oligomer formation is ubiquitous in rainwater albeit different for each storm classification. Oligomers of small acids and C3H4O2 were detected in both storm types indicating their processing may be similar in both back trajectories. Black carbon (BC) was detected in continental storms with phenol moieties that are not as oxidized as aquatic DOM black carbon. The discovery of BC in continental rainwater has significant ramifications towards climate change, because atmospheric BC is such a potent chromophore that reemits absorbed sunlight at longer wavelengths thereby warming the lower atmosphere.
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. PMID:24559181
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.
Oro, Nicole E; Whittal, Randy M; Lucy, Charles A
2012-09-01
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. PMID:22840706
Han, Fei; Li, Yanting; Mao, Xinjuan; Xu, Rui; Yin, Ran
2016-05-01
In this work, an approach using high-performance liquid chromatography coupled with diode-array detection and Fourier-transform ion cyclotron resonance mass spectrometer (HPLC-FT-ICR MS) for the identification and profiling of chemical constituents in Rhodiola crenulata was developed for the first time. The chromatographic separation was achieved on an Inertsil ODS-3 column (150 mm × 4.6 mm,3 µm) using a gradient elution program, and the detection was performed on a Bruker Solarix 7.0 T mass spectrometer equipped with electrospray ionization source in both positive and negative modes. Under the optimized conditions, a total of 48 chemical compounds, including 26 alcohols and their glycosides, 12 flavonoids and their glycosides, 5 flavanols and gallic acid derivatives, 4 organic acids and 1 cyanogenic glycoside were identified or tentatively characterized. The results indicated that the developed HPLC-FT-ICR MS method with ultra-high sensitivity and resolution is suitable for identifying and characterizing the chemical constituents in R. crenulata. And it provides a helpful chemical basis for further research on R. crenulata. Copyright © 2016 John Wiley & Sons, Ltd. PMID:27194521
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.
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.
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.
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. PMID:26558763
Abdulla, Hussain A N; Sleighter, Rachel L; Hatcher, Patrick G
2013-04-16
Two-dimensional (2D) correlation analysis was applied to 20 Fourier transform ion cyclotron resonance mass spectra (FTICR-MS) of ultrafiltered dissolved organic matter samples from a salinity transect of the lower Chesapeake Bay. We were able to investigate the chemical changes in the dissolved organic matter pool at the molecular level and classify the individual peaks based on their biogeochemical reactivity. The power of this technique is its ability to be used on either the presence/absence of the individual peaks or their normalized magnitudes. The presence or absence of the peaks are utilized to identify the reactivity and correlation between peaks that plot in different regions of the van Krevelen diagram, whereas the normalized magnitudes are used to correlate the changes among individual peaks. One of the promising advantages of 2D correlation of FTICR-MS data is the ability to associate the variations of the individual peaks with the changes in the functional groups that are measured by other spectroscopic techniques. This approach takes us one step further from identifying molecular formulas to proposing chemical structures. PMID:23472832
Fourier transform interferometer alignment method.
Goldberg, Kenneth A; Naulleau, Patrick; Bokor, Jeffrey
2002-08-01
A rapid and convenient method has been developed to facilitate the alignment of the image-plane components of point-diffraction interferometers, including the phase-shifting point-diffraction interferometer. In real time, the Fourier transform of the detected image is used to calculate a pseudoimage of the electric field in the image plane of the test optic where thecritical alignment o f variousoptical components is performed. Reconstruction of the pseudoimage is similar to off-axis, Fourier transform holography. Intermediate steps in the alignment procedure are described. Fine alignment is aided by the introduction and optimization of a global-contrast parameter that is easily calculated from the Fourier transform. Additional applications include the alignment of image-plane apertures in general optical systems, the rapid identification of patterned image-plane alignment marks, and the probing of important image-plane field properties. PMID:12153074
NASA Astrophysics Data System (ADS)
Guo, Kevin; Bamforth, Fiona; Li, Liang
2011-02-01
Metabolome analysis of human cerebrospinal fluid (CSF) is challenging because of low abundance of metabolites present in a small volume of sample. We describe and apply a sensitive isotope labeling LC-MS technique for qualitative analysis of the CSF metabolome. After a CSF sample is divided into two aliquots, they are labeled by 13C-dansyl and 12C-dansyl chloride, respectively. The differentially labeled aliquots are then mixed and subjected to LC-MS using Fourier-transform ion cyclotron resonance mass spectrometry (FTICR MS). Dansylation offers significant improvement in the performance of chromatography separation and detection sensitivity. Moreover, peaks detected in the mass spectra can be readily analyzed for ion pair recognition and database search based on accurate mass and/or retention time information. It is shown that about 14,000 features can be detected in a 25-min LC-FTICR MS run of a dansyl-labeled CSF sample, from which about 500 metabolites can be profiled. Results from four CSF samples are compared to gauge the detectability of metabolites by this method. About 261 metabolites are commonly detected in replicate runs of four samples. In total, 1132 unique metabolite ion pairs are detected and 347 pairs (31%) matched with at least one metabolite in the Human Metabolome Database. We also report a dansylation library of 220 standard compounds and, using this library, about 85 metabolites can be positively identified. Among them, 21 metabolites have never been reported to be associated with CSF. These results illustrate that the dansylation LC-FTICR MS method can be used to analyze the CSF metabolome in a more comprehensive manner.
Static Fourier transform infrared spectrometer.
Schardt, Michael; Murr, Patrik J; Rauscher, Markus S; Tremmel, Anton J; Wiesent, Benjamin R; Koch, Alexander W
2016-04-01
Fourier transform spectroscopy has established itself as the standard method for spectral analysis of infrared light. Here we present a robust and compact novel static Fourier transform spectrometer design without any moving parts. The design is well suited for measurements in the infrared as it works with extended light sources independent of their size. The design is experimentally evaluated in the mid-infrared wavelength region between 7.2 μm and 16 μm. Due to its large etendue, its low internal light loss, and its static design it enables high speed spectral analysis in the mid-infrared. PMID:27137061
Yukinaga, Hideo; Takami, Tomonori; Shioyama, Sho-Hei; Tozuka, Zenzaburo; Masumoto, Hiroshi; Okazaki, Osamu; Sudo, Ken-Ichi
2007-10-01
Covalent binding of reactive metabolites to cytochrome P450s (P450s) often causes their mechanism-based inactivation (MBI), resulting in drug-drug interactions or toxicity. The detection and identification of the P450 sites to which reactive metabolites bind would elucidate MBI mechanisms. We describe a proteomic approach using nano-LC/linear ion trap-Fourier transform ion cyclotron resonance (FTICR) mass spectrometry to characterize the binding of a reactive metabolite of raloxifene, which is a known P450 3A4 inhibitor, to the P450 3A4 isozyme. LTQ-FT analyses revealed that the metabolic reaction of raloxifene in a reconstituted P450 3A4 system formed a reactive metabolite adduct to P450 3A4 apoprotein, accompanied by a mass shift of 471 Da relative to intact P450 3A4 apoprotein. The reaction mixtures were digested with trypsin, and then the tryptic digests were analyzed by nano-LC-MS/MS. This technique revealed that VWGFYDGQQPVLAITDPDMIK (position 71-91) was a tryptic peptide modified by the reactive metabolite derived from raloxifene. The site of adduction with the reactive metabolite was further postulated to be the nucleophilic OH group of Tyr-75 of P450 3A4. A proteomic approach using LTQ-FT can yield direct information on the P450 3A4 modification site without radiolabeled compounds. In addition, this information can elucidate mechanisms involved in the covalent binding of reactive metabolites and the inactivation of P450 3A4. PMID:17867646
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.
Shi, Stone D.-H.; Hendrickson, Christopher L.; Marshall, Alan G.
1998-01-01
A typical molecular ion mass spectrum consists of a sum of signals from species of various possible isotopic compositions. Only the monoisotopic peak (e.g., all carbons are 12C; all nitrogens are 14N, etc.) has a unique elemental composition. Every other isotope peak at approximately integer multiples of ∼1 Da higher in nominal mass represents a sum of contributions from isotope combinations differing by a few mDa (e.g., two 13C vs. two 15N vs. one 13C and one 15N vs. 34S, vs. 18O, etc., at ∼2 Da higher in mass than the monoisotopic mass). At sufficiently high mass resolving power, each of these nominal-mass peaks resolves into its isotopic fine structure. Here, we report resolution of the isotopic fine structure of proteins up to 15.8 kDa (isotopic 13C,15N doubly depleted tumor suppressor protein, p16), made possible by electrospray ionization followed by ultrahigh-resolution Fourier transform ion cyclotron resonance mass analysis at 9.4 tesla. Further, a resolving power of m/Δm50% ≈8,000,000 has been achieved on bovine ubiquitin (8.6 kDa). These results represent a 10-fold increase in the highest mass at which isotopic fine structure previously had been observed. Finally, because isotopic fine structure reveals elemental composition directly, it can be used to confirm or determine molecular formula. For p16, for example, we were able to determine (5.1 ± 0.3) the correct number (five) of sulfur atoms solely from the abundance ratio of the resolved 34S peak to the monoisotopic peak. PMID:9751700
Graham, Brian W; Tao, Yeqing; Dodge, Katie L; Thaxton, Carly T; Olaso, Danae; Young, Nicolas L; Marshall, Alan G; Trakselis, Michael A
2016-06-10
The archaeal minichromosomal maintenance (MCM) helicase from Sulfolobus solfataricus (SsoMCM) is a model for understanding structural and mechanistic aspects of DNA unwinding. Although interactions of the encircled DNA strand within the central channel provide an accepted mode for translocation, interactions with the excluded strand on the exterior surface have mostly been ignored with regard to DNA unwinding. We have previously proposed an extension of the traditional steric exclusion model of unwinding to also include significant contributions with the excluded strand during unwinding, termed steric exclusion and wrapping (SEW). The SEW model hypothesizes that the displaced single strand tracks along paths on the exterior surface of hexameric helicases to protect single-stranded DNA (ssDNA) and stabilize the complex in a forward unwinding mode. Using hydrogen/deuterium exchange monitored by Fourier transform ion cyclotron resonance MS, we have probed the binding sites for ssDNA, using multiple substrates targeting both the encircled and excluded strand interactions. In each experiment, we have obtained >98.7% sequence coverage of SsoMCM from >650 peptides (5-30 residues in length) and are able to identify interacting residues on both the interior and exterior of SsoMCM. Based on identified contacts, positively charged residues within the external waist region were mutated and shown to generally lower DNA unwinding without negatively affecting the ATP hydrolysis. The combined data globally identify binding sites for ssDNA during SsoMCM unwinding as well as validating the importance of the SEW model for hexameric helicase unwinding. PMID:27044751
Shea, Ryan C.; Habicht, Steven C.; Vaughn, Weldon E.; Kenttämaa, Hilkka I.
2008-01-01
We report here the construction and characterization of a high-power laser-induced acoustic desorption (LIAD) probe designed for Fourier-transform ion cyclotron resonance (FT-ICR) mass spectrometers to facilitate analysis of non-volatile, thermally labile compounds. This “next generation” LIAD probe offers significant improvements in sensitivity and desorption efficiency for analytes with larger molecular weights via the use of higher laser irradiances. Unlike the previous probes which utilized a power limiting optical fiber to transmit the laser pulses through the probe, this probe employs a set of mirrors and a focusing lens. At the end of the probe, the energy from the laser pulses propagates through a thin metal foil as an acoustic wave, resulting in desorption of neutral molecules from the opposite side of the foil. Following desorption, the molecules can be ionized by electron impact or chemical ionization. Almost an order of magnitude greater power density (up to 5.0 × 109 W/cm2) is achievable on the backside of the foil with the high-power LIAD probe compared to the earlier LIAD probes (maximum power density ~9.0 × 108 W/cm2). The use of higher laser irradiances is demonstrated not to cause fragmentation of the analyte. The use of higher laser irradiances increases sensitivity since it results in the evaporation of a greater number of molecules per laser pulse. Measurement of the average velocities of LIAD evaporated molecules demonstrates that higher laser irradiances do not correlate with higher velocities of the gaseous analyte molecules. PMID:17319645
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
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
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.
JPL Fourier transform ultraviolet spectrometer
NASA Technical Reports Server (NTRS)
Cageao, R. P.; Friedl, R. R.; Sander, Stanley P.; Yung, Y. L.
1994-01-01
The Fourier Transform Ultraviolet Spectrometer (FTUVS) is a new high resolution interferometric spectrometer for multiple-species detection in the UV, visible and near-IR. As an OH sensor, measurements can be carried out by remote sensing (limb emission and column absorption), or in-situ sensing (long-path absorption or laser-induced fluorescence). As a high resolution detector in a high repetition rate (greater than 10 kHz) LIF system, OH fluorescence can be discriminated against non-resonant background emission and laser scatter, permitting (0, 0) excitation.
Fourier-Transform Infrared Spectrometer
NASA Technical Reports Server (NTRS)
Schindler, R. A.
1986-01-01
Fourier-transform spectrometer provides approximately hundredfold increase in luminosity at detector plane over that achievable with older instruments of this type. Used to analyze such weak sources as pollutants and other low-concentration substances in atmosphere. Interferometer creates fringe patterns on two distinct arrays of light detectors, which observe different wavelength bands. Objective lens focuses scene on image plane, which contains optical chopper. To make instrument less susceptible to variations in scene under observation, field and detector lenses focus entrance aperture, rather that image, onto detector array.
Improved Fourier-transform profilometry
Mao Xianfu; Chen Wenjing; Su Xianyu
2007-02-10
An improved optical geometry of the projected-fringe profilometry technique, in which the exit pupil of the projecting lens and the entrance pupil of the imaging lens are neither at the same height above the reference plane nor coplanar, is discussed and used in Fourier-transform profilometry. Furthermore, an improved fringe-pattern description and phase-height mapping formula based on the improved geometrical generalization is deduced. Employing the new optical geometry, it is easier for us to obtain the full-field fringe by moving either the projector or the imaging device. Therefore the new method offers a flexible way to obtain reliable height distribution of a measured object.
Koestler, Martin; Kirsch, Dieter; Hester, Alfons; Leisner, Arne; Guenther, Sabine; Spengler, Bernhard
2008-10-01
A new scanning microprobe matrix-assisted laser desorption/ionization (SMALDI) ion source for high spatial resolution has been developed for linear ion trap and Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS). The source is fully compatible with commercial ion trap flanges (such as the LTQ series, Thermo Fisher Scientific). The source is designed for atmospheric pressure (AP) operation but is also suitable for mid-pressure operation. The AP mode is especially useful for investigating volatile compounds. The source can be interchanged with other ion sources within a minute when operated in the AP mode. Combining high-lateral resolution MALDI imaging with high mass resolution and high mass accuracy mass spectrometry, available in the FT-ICR mode, provides a new quality of analytical information, e.g. from biological samples. First results obtained with the new ion source demonstrate a maximum lateral resolution of 0.6 by 0.5 microm. Depending on the limit of detection of the chosen mass analyzer, however, the size of the focus had to be enlarged to a diameter of up to 8 microm in the FT-ICR mode, in order to create enough ions for detection. Mass spectra acquired for analytical imaging were obtained from single laser pulses per pixel in all the experiments. This mode allows us to investigate biological thin sections with desorption focus diameters in the micrometer range, known to cause complete evaporation of material under the laser focus with a very limited number of laser pulses. As a first example, peptide samples deposited in microstructures were investigated with the new setup. A high quality and validity of the acquired images were obtained in the ion trap mode due to the low limit of detection. High mass resolution and accuracy but poorer image quality were obtained in the ICR mode due to the lower detection sensitivity of the ICR detector. PMID:18819119
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
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
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
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
Fourier transform infrared (FTIR) spectroscopy.
Berthomieu, Catherine; Hienerwadel, Rainer
2009-01-01
Fourier transform infrared (FTIR) spectroscopy probes the vibrational properties of amino acids and cofactors, which are sensitive to minute structural changes. The lack of specificity of this technique, on the one hand, permits us to probe directly the vibrational properties of almost all the cofactors, amino acid side chains, and of water molecules. On the other hand, we can use reaction-induced FTIR difference spectroscopy to select vibrations corresponding to single chemical groups involved in a specific reaction. Various strategies are used to identify the IR signatures of each residue of interest in the resulting reaction-induced FTIR difference spectra. (Specific) Isotope labeling, site-directed mutagenesis, hydrogen/deuterium exchange are often used to identify the chemical groups. Studies on model compounds and the increasing use of theoretical chemistry for normal modes calculations allow us to interpret the IR frequencies in terms of specific structural characteristics of the chemical group or molecule of interest. This review presents basics of FTIR spectroscopy technique and provides specific important structural and functional information obtained from the analysis of the data from the photosystems, using this method. PMID:19513810
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...
The fractional Fourier transform and applications
NASA Technical Reports Server (NTRS)
Bailey, David H.; Swarztrauber, Paul N.
1991-01-01
This paper describes the 'fractional Fourier transform', which admits computation by an algorithm that has complexity proportional to the fast Fourier transform algorithm. Whereas the discrete Fourier transform (DFT) is based on integral roots of unity e exp -2(pi)i/n, the fractional Fourier transform is based on fractional roots of unity e exp -2(pi)i(alpha), where alpha is arbitrary. The fractional Fourier transform and the corresponding fast algorithm are useful for such applications as computing DFTs of sequences with prime lengths, computing DFTs of sparse sequences, analyzing sequences with noninteger periodicities, performing high-resolution trigonometric interpolation, detecting lines in noisy images, and detecting signals with linearly drifting frequencies. In many cases, the resulting algorithms are faster by arbitrarily large factors than conventional techniques.
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
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.
Apparatus and methods for continuous beam fourier transform mass spectrometry
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.
Jiang, Bin; Liang, Yongmei; Xu, Chunming; Zhang, Jingyi; Hu, Miao; Shi, Quan
2014-05-01
Aromatic fractions derived from aerosol samples were characterized by gas chromatography and mass spectrometry (GC-MS), high temperature simulated distillation (SIMDIS), and positive-ion atmospheric pressure photoionization (APPI) Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS), respectively. It was found that about 27 wt % compounds in aromatic fractions could not be eluted from a GC column and some large molecule PAHs were neglected in GC-MS analysis. APPI FT-ICR MS was proven to be a powerful approach for characterizing the molecular composition of aromatics, especially for the large molecular species. An aromatic sample from Beijing urban aerosol was successfully characterized by APPI FT-ICR MS. Results showed that most abundant aromatic compounds in PM2.5 (particles with aerodynamic diameter ≤ 2.5 μm) were highly condensed hydrocarbons with 4-8 aromatic rings and their homologues with very short alkyl chains. Furthermore, heteroatom-containing hydrocarbons were found as the significant components of the aromatic fractions: O1, O2, N1, and S1 class species with 10-28 DBEs (double bond equivalents) and 14-38 carbon numbers were identified by APPI FT-ICR MS. The heteroatom PAHs had similar DBEs and carbon number distribution as regular PAHs. PMID:24702199
Mesfioui, Rajaa; Love, Nancy G; Bronk, Deborah A; Mulholland, Margaret R; Hatcher, Patrick G
2012-03-01
In advanced wastewater treatment plants that achieve high levels of nitrogen (N) removal, up to one-third of the N in effluent is organic, herein referred to as effluent organic N (EON). While we know that inorganic N is highly labile, it is unclear what fraction of EON is bioavailable. In this study, we demonstrate the utility of a method that can be used to examine the reactivity of EON in natural receiving waters to better understand both the ecosystem response and the potential bioavailability of EON. The technique is suitable for analyzing polar organic matter in natural waters; electrospray ionization coupled with Fourier transform mass spectrometry. Bioassays were performed on samples collected at the end of the biological process from two wastewater treatment plants achieving advanced N removal. The samples were concentrated, and then added to natural water samples collected from the oligohaline James River, a major tributary of the Chesapeake Bay. Our results demonstrate that while the lignin-like fraction of the effluent dissolved organic matter (some of which contains N) was conserved, a large portion of aliphatic and aromatic compounds containing N was removed (79-100%) during incubations, while other compounds were produced. Furthermore, the two effluents exhibited differences in the degree of degradation and type of degradation, which can be related both to the various processes employed in the two WWTPs and the dramatic differences in the type of influent they received. These findings suggest that EON is highly reactive in the natural environment and that simple assays examining net consumption or production of bulk dissolved organic N pools are inadequate for assessing the bioavailability of EON. PMID:22172558
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. PMID:22972784
Angotti, M; Maunit, B; Muller, J F; Bezdetnaya, L; Guillemin, F
2001-07-01
The photobleaching of 5,10,15,20-tetrakis(m-hydroxyphenyl)chlorin (temoporfin, m-THPC) and 5,10,15,20-tetrakis(m-hydroxyphenyl)bacteriochlorin (bacteriochlorin, m-THPBC) was studied in ethanol-water (1 : 99, v/v) and in physiological medium (phosphate-buffered saline, PBS) with or without fetal calf serum (FCS). m-THPC solution was irradiated with the laser radiation of 650 nm, whereas m-THPBC solution underwent two consecutive irradiations at 532 and 650 nm. The photoproducts were characterized by UV-visible absorption spectrophotometry and by matrix-assisted laser desorption/ionization (MALDI) coupled with Fourier transform ion cyclotron resonance mass spectrometry (FTICRMS). Independent of the solvent used, the phototransformation of either photosensitizer yielded the formation of 5,10,15,20-tetrakis (m-hydroxyphenyl)porphyrin (m-THPP) through a major dehydrogenation process. PMID:11473406
FOURIER TRANSFORM INFRARED SPECTROMETRY OF AMBIENT AEROSOLS
Fourier transform infrared (FTIR) spectrometry has been evaluated as a method for determining the concentration of selected species present in ambient aerosols collected on Teflon filters. The filters are analyzed by transmission measurements after collection of the fine fraction...
Plasma Spectrochemistry with a Fourier Transform Spectrometer.
NASA Astrophysics Data System (ADS)
Manning, Thomas Joseph John
1990-01-01
This dissertation can be interpreted as being two-dimensional. The first dimension uses the Los Alamos Fourier Transform Spectrometer to uncover various physical aspects of a Inductively Coupled Plasma. The limits of wavenumber accuracy and resolution are pushed to measure line shifts and line profiles in an Inductively Coupled Argon Plasma. This is new physical information that the plasma spectroscopy community has been seeking for several years. Other plasma spectroscopy carried out includes line profile studies, plasma diagnostics, and exact identification of diatomic molecular spectra. The second aspect of the dissertation involves studies of light sources for Fourier Transform Spectroscopy. Sources developed use an inductively coupled plasma (ICP) power supply. New sources (neon ICP, closed cell ICP, and helium ICP) were developed and new methods to enhance the performance and understand a Fourier Transform Spectrometer were studied including a novel optical filter, a spectrum analyzer to study noises, and a standard to calibrate and evaluate a Fourier Transform Spectrometer.
Electronically-Scanned Fourier-Transform Spectrometer
NASA Technical Reports Server (NTRS)
Breckinridge, J. B.; Ocallaghan, F. G.
1984-01-01
Instrument efficient, lightweight, and stable. Fourier-transform spectrometer configuration uses electronic, instead of mechanical, scanning. Configuration insensitive to vibration-induced sampling errors introduced into mechanically scanned systems.
Cataldi, Tommaso R I; Bianco, Giuliana; Abate, Salvatore; Losito, Ilario
2011-07-15
The identification of two unsaturated N-acylhomoserine lactones (AHLs) produced by Rhodobacter sphaeroides bacteria, based on liquid chromatography (LC) coupled to a hybrid quadrupole linear ion trap (LTQ)-Fourier transform ion cyclotron resonance (FTICR) mass spectrometer upon electrospray ionization (ESI), is presented. Besides the confirmation of the signaling molecule already described in the literature, i.e. (Z)-N-tetradec-7-enoyl-homoserine lactone (C(14:1)-HSL), we have discovered the occurrence, at low, yet significant levels, of another monounsaturated compound, C(12:1) -HSL, which may extend the number of small diffusible chemical signals known for R. sphaeroides. Both unsaturated AHLs were identified by high-resolution FTICR mass spectrometry in extracts of bacterial culture media and the occurrence of a C=C bond was assessed upon their conversion into bromohydrins. Collision-induced dissociation (CID) spectra were then collected on the LTQ mass analyzer. A careful comparison of tandem MS spectra of monounsaturated (i.e., C(12:1)-HSL and C(14:1)-HSL) and saturated AHLs (i.e. C(12)-HSL and C(14)-HSL) led to the emphasis of two series of product ions, exhibiting 14 Da spaced m/z ratios. Both series were referred to progressive fragmentations at the aliphatic end of the AHL acyl chains, followed by neutral losses of terminal alkenes (i.e. CH(2)=CH(CH(2))(n)H). In particular, the series located at the higher end of the explored m/z range (>200 Da), observed only for monounsaturated species, enabled the location of the C=C bond between carbons 7 and 8 of the acyl chain. PMID:21638357
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
Cryogenic ion chemistry and spectroscopy.
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
Fast Fourier Transforms of Piecewise Constant Functions
NASA Astrophysics Data System (ADS)
Sorets, Eugene
1995-02-01
We present an algorithm for the evaluation of the Fourier transform of piecewise constant functions of two variables. The algorithm overcomes the accuracy problems associated with computing the Fourier transform of discontinuous functions; in fact, its time complexity is O (N2 logN + NP log2 (1/ε) + V log3 (1/ε)), where ε is the accuracy, N is the size of the problem, P is the perimeter of the set of discontinuities, and V is its number of vertices. The algorithm is based on the Lagrange interpolation formula and the Green's theorem, which are used to preprocess the data before applying the fast Fourier transform. It readily generalizes to higher dimensions and to piecewise smooth functions.
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. PMID:12659185
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.
NASA Astrophysics Data System (ADS)
De Bonis, Margherita; Bianco, Giuliana; Amati, Mario; Belviso, Sandra; Cataldi, Tommaso R. I.; Lelj, Francesco
2013-04-01
A new hexadentate, tripodal 8-hydroxyquinoline based ligand (QH3) and its gadolinium(III) tris-chelated (GdQ) complex with hemicage structure was investigated by using high resolution Fourier-transform ion cyclotron resonance mass spectrometry (FTICRMS). The protonated adduct of the free ligand and its hemicage tripodal Gd(III) complex, [GdQ + H]+, were first observed in experiments of electrospray ionization (ESI) with a linear ion trap (LTQ) mass spectrometer and further investigated by using high resolution FTICRMS. Gas-phase dissociation of the protonated Gd(III) complex, by infrared multiphoton dissociation (IRMPD) FTICR MS, demonstrated a fragmentation pattern with six main product cluster ions labeled as [Fn]+ ( n = 1 up to 6). These product ions suggest the elimination of 7-amino-alkyl or 7-alkyl chains of the hemicage moiety. High resolution MS conditions allowed the elucidation of the fragmentation pattern and product ion structures along with the determination, among the isotopic pattern of Gd, of the chemical compositions of closely related species, which differ in terms of hydrogen content. Among the Gd six naturally stable isotopes, 158Gd is the most abundant, and its peak within each cluster was used as a reference for distinguishing each product ions. Computational DFT investigations were applied to give support to some hypothesis of fragmentation pathways, which could not have been easily justified on the basis of the experimental work. Furthermore, computational studies suggested the coordination geometry of the protonated parent complex and the five- and four-coordinated complexes, which derive from its fragmentation. Furthermore, experimental and computational evidences were collected about the octet spin state of the parent compound.
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
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.
Ultrafast Fourier-transform parallel processor
Greenberg, W.L.
1980-04-01
A new, flexible, parallel-processing architecture is developed for a high-speed, high-precision Fourier transform processor. The processor is intended for use in 2-D signal processing including spatial filtering, matched filtering and image reconstruction from projections.
Clifford Fourier transform on vector fields.
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. PMID:16138556
A Primer of Fourier Transform NMR.
ERIC Educational Resources Information Center
Macomber, Roger S.
1985-01-01
Fourier transform nuclear magnetic resonance (NMR) is a new spectroscopic technique that is often omitted from undergraduate curricula because of lack of instructional materials. Therefore, information is provided to introduce students to the technique of data collection and transformation into the frequency domain. (JN)
REMOTE FOURIER TRANSFORM INFRARED AIR POLLUTION STUDIES
A commercial Fourier transform infrared interferometer system has been installed in a van and used to make longpath absorption and single-ended emission measurements of gaseous pollutant concentrations at a variety of pollutant sources. The interferometer system is described and ...
Livermore Imaging Fourier Transform Infrared Spectrometer (LIFTIRS)
Carter, M.R.; Bennett, C.L.; Fields, D.J.; Lee, F.D.
1995-05-10
Lawrence Livermore National Laboratory is currently operating a hyperspectral imager, the Livermore Imaging Fourier Transform Infrared Spectrometer (LIFTIRS). This instrument is capable of operating throughout the infrared spectrum from 3 to 12.5 {mu}m with controllable spectral resolution. In this presentation we report on it`s operating characteristics, current capabilities, data throughput and calibration issues.
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
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. PMID:21638364
Bílková, Z; Stefanescu, R; Cecal, R; Korecká, L; Ouzká, S; Jezová, J; Viovy, J-L; Przybylski, M
2005-01-01
Epitope extraction technique is based on the specific digestion of a target protein followed by immunoaffinity isolation of a specific recognition peptide. This technique, in combination with mass spectrometry, has been efficiently used for epitope identification. The major goal of this work was to utilize newly developed enzyme and immunoaffinity magnetic reactors for the epitope extraction procedure and confirm the efficiency of this improved system for epitope screening of proteins. Alginic acid-coated magnetite microparticles with immobilized TPCK-trypsin provided high working efficiency with low non-specific adsorption, digestion time in minutes and low frequency of missed cleavages. The sensitivity and specificity of tryptic fragmentation of the beta-amyloid-peptide Abeta (1-40) as a model polypeptide was confirmed by Fourier-transform ion cyclotron resonance mass spectrometry analysis. The Sepharose reactor or immunoaffinity magnetic reactors, both with anti-amyloid-beta monoclonal antibodies, were used for specific isolation and identification of target peptides. In this way, the epitope extraction technique combined with mass spectrometric analysis is shown to be an excellent base for molecular screening of potential vaccine lead proteins. PMID:16322655
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.
Implementation of quantum and classical discrete fractional Fourier transforms
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
Implementation of quantum and classical discrete fractional Fourier transforms
NASA Astrophysics Data System (ADS)
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
2016-03-01
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.
High order generalized permutational fractional Fourier transforms
NASA Astrophysics Data System (ADS)
Ran, Qi-Wen; Yuan, Lin; Tan, Li-Ying; Ma, Jing; Wang, Qi
2004-02-01
We generalize the definition of the fractional Fourier transform (FRFT) by extending the new definition proposed by Shih. The generalized FRFT, called the high order generalized permutational fractional Fourier transform (HGPFRFT), is a generalized permutational transform. It is shown to have arbitrary natural number M periodic eigenvalues not only with respect to the order of Hermite-Gaussian functions but also to the order of the transform. This HGPFRFT will be reduced to the original FRFT proposed by Namias and Liu's generalized FRFT and Shih's FRFT at the three limits with M = +infty, M = 4k (k is a natural number) and M = 4, respectively. Therefore the HGPFRFT introduces a comprehensive approach to Shih's FRFT and the original definition. Some important properties of HGPFRFT are discussed. Lastly the results of computer simulations and symbolic representations of the transform are provided.
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.
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.
Miniaturization of holographic Fourier-transform spectrometers.
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. PMID:15646777
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.
Rüger, Christopher P; Miersch, Toni; Schwemer, Theo; Sklorz, Martin; Zimmermann, Ralf
2015-07-01
In this study, the hyphenation of a thermobalance to an ultrahigh-resolution Fourier transform ion cyclotron resonance mass spectrometer (UHR FTICR MS) is presented. Atmospheric pressure chemical ionization (APCI) is used for efficient ionization. The evolved gas analysis (EGA), using high-resolution mass spectrometry allows the time-resolved molecular characterization of thermally induced processes in complex materials or mixtures, such as biomass or crude oil. The most crucial part of the setup is the hyphenation between the thermobalance and the APCI source. Evolved gases are forced to enter the atmospheric pressure ionization interface of the MS by applying a slight overpressure at the thermobalance side of the hyphenation. Using the FTICR exact mass data, detailed chemical information is gained by calculation of elemental compositions from the organic species, enabling a time and temperature resolved, highly selective detection of the evolved species. An additional selectivity is gained by the APCI ionization, which is particularly sensitive toward polar compounds. This selectivity on the one hand misses bulk components of petroleum samples such as alkanes and does not deliver a comprehensive view but on the other hand focuses particularly on typical evolved components from biomass samples. As proof of principle, the thermal behavior of different fossil fuels: heavy fuel oil, light fuel oil, and a crude oil, and different lignocellulosic biomass, namely, beech, birch, spruce, ash, oak, and pine as well as commercial available softwood and birch-bark pellets were investigated. The results clearly show the capability to distinguish between certain wood types through their molecular patterns and compound classes. Additionally, typical literature known pyrolysis biomass marker were confirmed by their elemental composition, such as coniferyl aldehyde (C10H10O3), sinapyl aldehyde (C11H12O4), retene (C18H18), and abietic acid (C20H30O2). PMID:26024433
Optical image encryption based on multifractional Fourier transforms.
Zhu, B; Liu, S; Ran, Q
2000-08-15
We propose a new image encryption algorithm based on a generalized fractional Fourier transform, to which we refer as a multifractional Fourier transform. We encrypt the input image simply by performing the multifractional Fourier transform with two keys. Numerical simulation results are given to verify the algorithm, and an optical implementation setup is also suggested. PMID:18066153
Secret sharing based on quantum Fourier transform
NASA Astrophysics Data System (ADS)
Yang, Wei; Huang, Liusheng; Shi, Runhua; He, Libao
2013-07-01
Secret sharing plays a fundamental role in both secure multi-party computation and modern cryptography. We present a new quantum secret sharing scheme based on quantum Fourier transform. This scheme enjoys the property that each share of a secret is disguised with true randomness, rather than classical pseudorandomness. Moreover, under the only assumption that a top priority for all participants (secret sharers and recovers) is to obtain the right result, our scheme is able to achieve provable security against a computationally unbounded attacker.
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.
Noise figure of amplified dispersive Fourier transformation
Goda, Keisuke; Jalali, Bahram
2010-09-15
Amplified dispersive Fourier transformation (ADFT) is a powerful tool for fast real-time spectroscopy as it overcomes the limitations of traditional optical spectrometers. ADFT maps the spectrum of an optical pulse into a temporal waveform using group-velocity dispersion and simultaneously amplifies it in the optical domain. It greatly simplifies spectroscopy by replacing the diffraction grating and detector array in the conventional spectrometer with a dispersive fiber and single-pixel photodetector, enabling ultrafast real-time spectroscopic measurements. Following our earlier work on the theory of ADFT, here we study the effect of noise on ADFT. We derive the noise figure of ADFT and discuss its dependence on various parameters.
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.
Advanced Techniques for Fourier Transform Wavefront Reconstruction
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.
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.
Optical interpretation of a complex-order Fourier transform.
Shih, C C
1995-05-15
It is demonstrated that the definition of a fractional-order Fourier transform can be extended into the complexorder regime. A complex-order Fourier transform deals with the imaginary part as well as the real part of the exponential function in the integral. As a result, while the optical implementation of fractional-order Fourier transform involves gradient-index media or spherical lenses, the optical interpretation of complex-order Fourier transform is practically based on the convolution operation and Gaussian apertures. The beam width of a Gaussian beam subjected to the complex-order Fourier transform is obtained analytically with the ABCD matrix approach. PMID:19859464
The PROSAIC Laplace and Fourier Transform
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.
Compact Fourier transform spectrometer without moving parts
NASA Astrophysics Data System (ADS)
Huang, Chu-Yu; Estroff, B.; Wang, Wei-Chih
2012-04-01
Fourier transform spectroscopy (FTS) is a potent analytical tool for chemical and biological analysis, but is limited by system size, expense, and robustness. To make FTS technology more accessible, we present a compact, inexpensive FTS system based on a novel liquid crystal (LC) interferometer. This design is unique because the optical path difference (OPD) is controlled by voltage applied to the LC cell. The OPD is further improved by reflecting the polarized incident light through the LC several times before reaching the second polarizer and measurement. This paper presents the theoretical model and numerical simulations for the liquid crystal Fourier transform spectrometer (LCFTS), and experimental results from the prototype. Based on the experimental results, the LCFTS performs in accordance with the theoretical predictions, achieving a maximum OPD of 210μm and a resolution of 1nm at a wavelength of 630nm. The instrumental response refresh rate is just under 1 second. Absorbance measurements were conducted for single and mixed solutions of deionized water and isopropyl alcohol, demonstrating agreement with a commercial system and literature values. We also present the LCFTS transmission spectra for varying concentrations of potassium permanganate to show system sensitivity.
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.
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.
Fourier transform spectrometer controller for partitioned architectures
NASA Astrophysics Data System (ADS)
Tamas-Selicean, D.; Keymeulen, D.; Berisford, D.; Carlson, R.; Hand, K.; Pop, P.; Wadsworth, W.; Levy, R.
The current trend in spacecraft computing is to integrate applications of different criticality levels on the same platform using no separation. This approach increases the complexity of the development, verification and integration processes, with an impact on the whole system life cycle. Researchers at ESA and NASA advocated for the use of partitioned architecture to reduce this complexity. Partitioned architectures rely on platform mechanisms to provide robust temporal and spatial separation between applications. Such architectures have been successfully implemented in several industries, such as avionics and automotive. In this paper we investigate the challenges of developing and the benefits of integrating a scientific instrument, namely a Fourier Transform Spectrometer, in such a partitioned architecture.
Two-dimensional fourier transform spectrometer
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.
Compact snapshot birefringent imaging Fourier transform spectrometer
NASA Astrophysics Data System (ADS)
Kudenov, Michael W.; Dereniak, Eustace L.
2010-08-01
The design and implementation of a compact multiple-image Fourier transform spectrometer (FTS) is presented. Based on the multiple-image FTS originally developed by A. Hirai, the presented device offers significant advantages over his original implementation. Namely, its birefringent nature results in a common-path interferometer which makes the spectrometer insensitive to vibration. Furthermore, it enables the potential of making the instrument ultra-compact, thereby improving the portability of the sensor. The theory of the birefringent FTS is provided, followed by details of its specific embodiment. A laboratory proof of concept of the sensor, designed and developed at the Optical Detection Lab, is also presented. Spectral measurements of laboratory sources are provided, including measurements of light-emitting diodes and gas-discharge lamps. These spectra are verified against a calibrated Ocean Optics USB2000 spectrometer. Other data were collected outdoors, demonstrating the sensor's ability to resolve spectral signatures in standard outdoor lighting and environmental conditions.
Surface Inspection using fourier transform infrared spectroscopy
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.
Optical correction using fourier transform heterodyne
NASA Astrophysics Data System (ADS)
Laubscher, Bryan E.; Nemzek, Robert J.; Cooke, Bradly J.; Olivas, Nicholas L.; Jorgensen, Anders M.; Smith, J. A.; Weisse-Bernstein, Nina R.
2005-08-01
In this paper we briefly present the theory of Fourier Transform Heterodyne (FTH), describe past verification experiments carried out, and discuss the experiment designed to use this new imaging technology to perform optical correction. FTH uses the scalar projection of a reference laser beam and a test laser beam onto a single element detector. The complex current in the detector yields the coefficient of the scalar projection. By projecting a complete orthonormal basis set of reference beams onto the test beam, the amplitude and phase of the test beam can be measured, allowing the reconstruction of the phasefront of the image. Experiments to determine this technique's applicability to optical correction and optical self-correction are continuing. Applications of this technique beyond optical correction include adaptive optics; interferometry; and active, high background, low signal imaging.
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.
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.
Fourier transform infrared spectroscopic study of truffles
NASA Astrophysics Data System (ADS)
Zhao, Dezhang; Liu, Gang; Song, Dingshan; Liu, Jian-hong; Zhou, Yilan; Ou, Jiaming; Sun, Shizhong
2006-01-01
Truffles are rare wild growing edible mushrooms belonging to Ascomycetes. In this paper, Fourier transform infrared (FTIR) spectroscopy was used to obtain vibrational spectra of truffles. The results show that the mushrooms exhibit characteristic spectra. The two strongest absorption bands appear at about 1077cm -1 and 1040 cm -1, which were described as C-O stretching in carbohydrate. The vibrational spectra indicate that the main compositions of the truffles are polysaccharide and protein. According to the characteristics bands and absorption ratios of spectra, different species of truffles can be discriminated. It is also found the great changes between moldy and healthy truffles, which the major differences are observed in the bands of protein. In addition, FTIR spectral differences are observed between the same species of truffles from different producing areas. It is showed that the FTIR spectroscopic method is valuable tool for rapid and nondestructive analysis of truffles prior to any extraction method used.
Uncertainty relation for the discrete Fourier transform.
Massar, Serge; Spindel, Philippe
2008-05-16
We derive an uncertainty relation for two unitary operators which obey a commutation relation of the form UV=e(i phi) VU. Its most important application is to constrain how much a quantum state can be localized simultaneously in two mutually unbiased bases related by a discrete fourier transform. It provides an uncertainty relation which smoothly interpolates between the well-known cases of the Pauli operators in two dimensions and the continuous variables position and momentum. This work also provides an uncertainty relation for modular variables, and could find applications in signal processing. In the finite dimensional case the minimum uncertainty states, discrete analogues of coherent and squeezed states, are minimum energy solutions of Harper's equation, a discrete version of the harmonic oscillator equation. PMID:18518426
NASA Astrophysics Data System (ADS)
Laude, David A., Jr.; Johlman, Carolyn; Wilkins, Charles L.
1985-12-01
During the past few years it has been demonstrated that linkage of multiple spectrometry systems with gas chromatography (GC) offers significant advantages for structural analysis of mixture components as they are sepa-rated. In the work to be described, a Fourier transform mass spectrometer (FTMS) has been linked in parallel with a Fourier transform infrared (FTIR) spectrometer for concurrent analysis of GC eluants from a fused silica capillary column. This system provides FTIR, electron impact, and chemical ionization mass spectral analysis of each mixture component as it emerges from the GC. Furthermore, mass measurement accuracy in the low ppm range in the absence of calibrant is made possible by the FTMS. Effective use of the com-plementary information obtained is shown to produce more reliable analytical performance than for any individual measurement.
Fourier transform imaging spectropolarimeter using simultaneous polarization modulation.
Meng, Xin; Li, Jianxin; Liu, Defang; Zhu, Rihong
2013-03-01
We introduce a Fourier transform imaging spectropolarimeter composed of a simultaneous polarization modulator and a Fourier transform spectrometer without slit. The spectropolarimeter enables the generation of four sets of fringe patterns with different polarization states of light from an object point. Fourier transform of the fringe patterns provides four equations of Stokes parameters in various wavenumbers. And we can obtain the full-stokes vector from the equations. The most significant advantage of the method is that the four polarized fringe patterns are obtained simultaneously and separated without aliasing. Additionally, the advantages of the Fourier transform spectrometer are maintained, such as high radiative throughput. PMID:23455296
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.
Coherent Fourier transform electrical pulse shaping.
Xiao, Shijun; Weiner, Andrew M
2006-04-01
Fourier synthesis pulse shaping methods allowing generation of programmable, user defined femtosecond optical waveforms have been widely applied in ultrafast optical science and technology. In the electrical domain, arbitrary waveform generation is well established at frequencies below approximately 1 GHz, but is difficult at higher frequencies due to limitations in digital-to-analog converter technology. In this paper we demonstrate a method for electrical waveform synthesis at substantially higher frequencies (approximately 20 GHz electrical bandwidth) by combining Fourier optical pulse shaping (extended to hyperfine frequency resolution) and heterodyne optical to electrical conversion. Our scheme relies on coherent manipulation of fields and phases at all stages, both for processing in the optical domain and for conversion from the optical to the electrical domain. We illustrate this technique through a number of examples, including programmable retardation or advancement of short electrical pulses in time over a range exceeding ten pulse durations. Such optically implemented, coherent Fourier transform electrical pulse shaping should open new prospects in ultrawideband electromagnetics. PMID:19516448
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.
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.
Californium-252 plasma desorption with Fourier transform mass spectroscopy
Loo, J.A; Williams, E.R.; Amster, I.J.; Furlong, J.J.P.; Wang, B.H.; McLafferty, F.W.; Chait, B.T.; Field, F.H.
1987-01-01
Plasma desorption (PD) such, as that induced by the 100-MeV fission products of /sup 252/Cf, is a particularly promising ionization method for large molecules, yielding molecular ion species even from trypsin, molecular weight 23,463. Further, with trypsin using nitrocellulose as the substrate, (M + 3H)/sup 3 +/ is the most abundant molecular ion species and (M + 6H)/sup 6 +/ is measurable, which greatly extends the mass values (m) observable for instruments with an upper m/z limit (z = number of charges). However, a 50-..mu..Ci /sup 252/Cf source only produces 55,000 fissions s/sup -1/, yielding ion currents that are generally much too low for scanning instruments. An instrument with unusual capabilities for these, as well as for simultaneous ion detection over a wide mass range, is the Fourier transform (FT) mass spectrometer. With FTMS, Hunt has measured (M + H)/sup +/ ions of cytochrome c, molecular weight 12,384, ionized in an exterior fast-atom-bombardment source. Here the authors describe techniques for obtaining PD/FT mass spectra for a variety of compounds with abundant molecular ion species of masses as high as 2016 (alamethicin).
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.
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.
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",…
Determination of Fourier Transforms on an Instructional Analog Computer
ERIC Educational Resources Information Center
Anderson, Owen T.; Greenwood, Stephen R.
1974-01-01
An analog computer program to find and display the Fourier transform of some real, even functions is described. Oscilloscope traces are shown for Fourier transforms of a rectangular pulse, a Gaussian, a cosine wave, and a delayed narrow pulse. Instructional uses of the program are discussed briefly. (DT)
Resource requirements for a fault-tolerant quantum Fourier transform
NASA Astrophysics Data System (ADS)
Goto, Hayato
2014-11-01
We investigate resource requirements for a fault-tolerant quantum Fourier transform. The quantum Fourier transform is a basic subroutine for quantum algorithms which provide an exponential speedup over known classical ones, such as Shor's algorithm for factoring. To implement single-qubit rotations required for a quantum Fourier transform in a fault-tolerant manner, we consider two types of approaches: gate synthesis and state distillation. While the gate synthesis approximates single-qubit rotations with basic quantum operations, the state distillation allows one to perform single-qubit rotations for a quantum Fourier transform exactly. It is unknown, however, which approach is better for a quantum Fourier transform. Here we develop a state-distillation method optimized for a quantum Fourier transform and compare this performance with those of state-of-the-art techniques for gate synthesis without and with ancillary states (ancillas). The performance is evaluated with the resource requirement for a quantum Fourier transform. The resource is measured by the total number of π /8 gates denoted by T , which is called the T count. Contrary to the expectation, the T count for the state distillation is considerably larger than those for the ancilla-free and ancilla-assisted gate synthesis. Thus, we conclude that the ancilla-assisted gate synthesis is a better approach to a fault-tolerant quantum Fourier transform.
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).
Signal Processing Issues in Fourier Transform Spectrometers
NASA Astrophysics Data System (ADS)
Hayes, Monson H.
2002-12-01
There are a number of interesting and challenging signal processing problems related to the design of a Fourier Transform Spectrometer (FTS). In this project, we look at a few of these problems in two different types of spectrometers-the Geostationary Imaging Fourier Transform Spectrometer (GIFTS), and a Far Infrared (FIR) FTS. One of the si nal processing challenges in GIFTS is the reduction of the massive data rate (2.4 x 109 bps) to an affordable telemetry rate of less than 60 Mbps. Since the GIFTS interferograms are heavily over-sampled, the first step is to decimate (down-sample) the interferograms with minimal distortion while keeping the signal processing algorithms simple enough to be implemented in the GIFTS hardware. Therefore, the first problem we looked at was the design of the decimation filters. Specifically, we performed a detailed analysis of two competing approaches that were being considered. The first, proposed by the Space Dynamics Lab (SDL), was to use a double sideband (real) band-pass filter. The second, proposed by Lincoln Laboratories (LL), was to use a single sideband (complex) band-pass filter. What the study showed was that a complex filter (LL approach) results in a savings of about 25% in the filtering requirements for the long-wave band, while in the mid-wave band the savings are approximately 50%. As a result, the decision was made to use a complex filter. Once the decision to use a complex filter had been made, we looked at some of the consequences of this decision. The most significant of these was the discovery that, with a complex filter, it is possible to extend the long-wave IR band beyond the folding frequency of 1174/cm and recover the SO2 line at 1176.5/cm. What this requires is the design of a band-pass decimation filter with a wider passband, and consequently of higher order. Specifically, it was shown that with about 25% more filter operations, the elusive SO2 line, believed to be irretrievable, could in fact be recovered
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
Technique for the metrology calibration of a Fourier transform spectrometer
Spencer, Locke D.; Naylor, David A
2008-11-10
A method is presented for using a Fourier transform spectrometer (FTS) to calibrate the metrology of a second FTS. This technique is particularly useful when the second FTS is inside a cryostat or otherwise inaccessible.
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.
The quest for conformal geometric algebra Fourier transformations
NASA Astrophysics Data System (ADS)
Hitzer, Eckhard
2013-10-01
Conformal geometric algebra is preferred in many applications. Clifford Fourier transforms (CFT) allow holistic signal processing of (multi) vector fields, different from marginal (channel wise) processing: Flow fields, color fields, electro-magnetic fields, ... The Clifford algebra sets (manifolds) of √-1 lead to continuous manifolds of CFTs. A frequently asked question is: What does a Clifford Fourier transform of conformal geometric algebra look like? We try to give a first answer.
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.
Implementation of weighted summation type fractional Fourier transform on FPGA
NASA Astrophysics Data System (ADS)
Zou, Qiming; Li, Longlong; Huang, Qian; Wang, Fei
2015-07-01
Recently Fractional Fourier transform (FrFT) has got a variety of applications in digital signal and image processing. This paper presents a novel hardware architecture for real-time computation of Discrete Fractional Fourier Transform (DFrFT), which can easily be extended to other fractional transforms. The proposed architecture has been verified on Xilinx FPGA(XC6VLX240T), which can run at a frequency up to 291MHz while with high accuracy.
Simple optical setup implementation for digital Fourier transform holography
NASA Astrophysics Data System (ADS)
de Oliveira, G. N.; Rodrigues, D. M. C.; dos Santos, P. A. M.
2011-01-01
In the present work a simple implementation of Digital Fourier Transform Holography (DFTH) setup is discussed. This is obtained making a very simple modification in the classical setup arquiteture of the Fourier Transform holography. It is also demonstrated the easy and practical viability of the setup in an interferometric application for mechanical parameters determination. The work is also proposed as an interesting advanced introductory training for graduated students in digital holography.
Cryogenic resonator design for trapped ion experiments in Paul traps
NASA Astrophysics Data System (ADS)
Brandl, M. F.; Schindler, P.; Monz, T.; Blatt, R.
2016-06-01
Trapping ions in Paul traps require high radio frequency voltages, which are generated using resonators. When operating traps in a cryogenic environment, an in-vacuum resonator showing low loss is crucial to limit the thermal load to the cryostat. In this study, we present a guide for the design and production of compact, shielded cryogenic resonators. We produced and characterized three different types of resonators and furthermore demonstrate efficient impedance matching of these resonators at cryogenic temperatures.
Chen, Li; Yap, Yee Leng
2008-01-01
This study describes a new algorithm for charge state determination of complex isotope-resolved mass spectra. This algorithm is based on peak-target Fourier transform (PTFT) of isotope packets. It is modified from the widely used Fourier transform method because Fourier transform may give ambiguous charge state assignment for low signal-to-noise ratio (S/N) or overlapping isotopic clusters. The PTFT algorithm applies a novel "folding" strategy to enhance peaks that are symmetrically spaced about the targeted peak before applying the FT. The "folding" strategy multiplies each point to the high-m/z side of the targeted peak by its counterpart on the low-m/z side. A Fourier transform of this "folded" spectrum is thus simplified, emphasizing the charge state of the "chosen" ion, whereas ions of other charge states contribute less to the transformed data. An intensity-dependent technique is also proposed for charge state determination from frequency signals. The performance of PTFT is demonstrated using experimental electrospray ionization Fourier transform ion cyclotron resonance mass spectra. The results show that PTFT is robust for charge state determination of low S/N and overlapping isotopic clusters, and also useful for manual verification of potential hidden isotopic clusters that may be missed by the current analysis algorithms, i.e., AID-MS or THRASH. PMID:18293485
Cryogenic ion trapping systems with surface-electrode traps
NASA Astrophysics Data System (ADS)
Antohi, P. B.; Schuster, D.; Akselrod, G. M.; Labaziewicz, J.; Ge, Y.; Lin, Z.; Bakr, W. S.; Chuang, I. L.
2009-01-01
We present two simple cryogenic rf ion trap systems in which cryogenic temperatures and ultra high vacuum pressures can be reached in as little as 12 h. The ion traps are operated either in a liquid helium bath cryostat or in a low vibration closed cycle cryostat. The fast turn around time and availability of buffer gas cooling made the systems ideal for testing surface-electrode ion traps. The vibration amplitude of the closed cycled cryostat was found to be below 106 nm. We evaluated the systems by loading surface-electrode ion traps with S88r+ ions using laser ablation, which is compatible with the cryogenic environment. Using Doppler cooling we observed small ion crystals in which optically resolved ions have a trapped lifetime over 2500 min.
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.
Fourier Transforms of Pulses Containing Exponential Leading and Trailing Profiles
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.
[Spatially modulated Fourier transform imaging spectrometer data compression research].
Huang, Min; Xiangli, Bin; Yuan, Yan; Shen, Zhong; Lu, Qun-bo; Wang, Zhong-hou; Liu, Xue-bin
2010-01-01
Fourier transform imaging spectrometer is a new technic, and has been developed very fast in recent ten years. When it is used in satellite, because of the limit by the data transmission, the authors need to compress the original data obtained by the Fourier transform imaging spectrometer, then, the data can be transmitted, and can be incepted on the earth and decompressed. Then the authors can do data process to get spectrum data which can be used by user. Data compression technic used in Fourier transform imaging spectrometer is a new technic, and few papers introduce it at home and abroad. In this paper the authors will give a data compression method, which has been used in EDIS, and achieved a good result. PMID:20302132
Fixed-point error analysis of Winograd Fourier transform algorithms
NASA Technical Reports Server (NTRS)
Patterson, R. W.; Mcclellan, J. H.
1978-01-01
The quantization error introduced by the Winograd Fourier transform algorithm (WFTA) when implemented in fixed-point arithmetic is studied and compared with that of the fast Fourier transform (FFT). The effect of ordering the computational modules and the relative contributions of data quantization error and coefficient quantization error are determined. In addition, the quantization error introduced by the Good-Winograd (GW) algorithm, which uses Good's prime-factor decomposition for the discrete Fourier transform (DFT) together with Winograd's short length DFT algorithms, is studied. Error introduced by the WFTA is, in all cases, worse than that of the FFT. In general, the WFTA requires one or two more bits for data representation to give an error similar to that of the FFT. Error introduced by the GW algorithm is approximately the same as that of the FFT.
Color image registration based on quaternion Fourier transformation
NASA Astrophysics Data System (ADS)
Wang, Qiang; Wang, Zhengzhi
2012-05-01
The traditional Fourier Mellin transform is applied to quaternion algebra in order to investigate quaternion Fourier transformation properties useful for color image registration in frequency domain. Combining with the quaternion phase correlation, we propose a method for color image registration based on the quaternion Fourier transform. The registration method, which processes color image in a holistic manner, is convenient to realign color images differing in translation, rotation, and scaling. Experimental results on different types of color images indicate that the proposed method not only obtains high accuracy in similarity transform in the image plane but also is computationally efficient.
Fractional Fourier transform in temporal ghost imaging with classical light
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.
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.
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.
Fourier transform profilometry for 360-deg shape using TDI camera
NASA Astrophysics Data System (ADS)
Su, Xianyu; Sajan, M. R.; Asundi, Anand K.
1997-03-01
This paper demonstrates a Fourier transform profilometry for 360 degree shape using TDI camera. Single stripe structured light can be recorded sequentially on one image when the camera is in TDI mode. An extended and deformed grating could be recorded in high speed and high resolution. The deformed fringe pattern is regarded as a fringe pattern in the Telecentric Fourier Transform Profilometry (TFTP), of which a wrapped phase is obtained directly. The unwrapped phase of TFTP gives the extended 360 degree profile without high frequency noise. Theoretical and experimental results are presented.
Extending Fourier transformations to Hamilton's quaternions and Clifford's geometric algebras
NASA Astrophysics Data System (ADS)
Hitzer, Eckhard
2013-10-01
We show how Fourier transformations can be extended to Hamilton's algebra of quaternions. This was initially motivated by applications in nuclear magnetic resonance and electric engineering. Followed by an ever wider range of applications in color image and signal processing. Hamilton's algebra of quaternions is only one example of the larger class of Clifford's geometric algebras, complete algebras encoding a vector space and all its subspace elements. We introduce how Fourier transformations are extended to Clifford algebras and applied in electromagnetism, and in the processing of images, color images, vector field and climate data.
Fourier-transform and global contrast interferometer alignment methods
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.
Double image encryption based on iterative fractional Fourier transform
NASA Astrophysics Data System (ADS)
Liu, Zhengjun; Liu, Shutian
2007-07-01
We present an image encryption algorithm to simultaneously encrypt two images into a single one as the amplitudes of fractional Fourier transform with different orders. From the encrypted image we can get two original images independently by fractional Fourier transforms with two different fractional orders. This algorithm can be independent of additional random phases as the encryption/decryption keys. Numerical results are given to analyze the capability of this proposed method. A possible extension to multi-image encryption with a fractional order multiplexing scheme has also been given.
The Heidelberg CSR: Stored Ion Beams in a Cryogenic Environment
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.
Path Integrals, Fourier Transforms, and Feynman's Operational Calculus
Ahn, Byung Moo; Johnson, G. W.
1998-03-15
The disentangling process is the key to Feynman's operational calculus for noncommuting operators. The main result of his heuristic calculations deals with disentangling an exponential factor. We use the Wiener and Feynman integrals to make this disentangling (or time-ordering) mathematically rigorous in the case where the analytic functions from earlier work are replaced by Fourier transforms of complex-valued measures.
Fourier transform spectroscopy of cotton and cotton trash
Technology Transfer Automated Retrieval System (TEKTRAN)
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...
APPLICATION OF FOURIER TRANSFORM SPECTROSCOPY TO AIR POLLUTION PROBLEMS
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 an...
Theoretical study of Fourier-transform acousto-optic imaging.
Barjean, Kinia; Ramaz, François; Tualle, Jean-Michel
2016-05-01
We propose a full theoretical study of Fourier-transform acousto-optic imaging, which we recently introduced and experimentally assessed in [Opt. Lett.40, 705-708 (2015)OPLEDP0146-959210.1364/OL.40.000705] as an alternative to achieve axial resolution in acousto-optic imaging with a higher signal-to-noise ratio. PMID:27140883
Fourier transform digital holographic adaptive optics imaging system
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
Optimal color image restoration: Wiener filter and quaternion Fourier transform
NASA Astrophysics Data System (ADS)
Grigoryan, Artyom M.; Agaian, Sos S.
2015-03-01
In this paper, we consider the model of quaternion signal degradation when the signal is convoluted and an additive noise is added. The classical model of such a model leads to the solution of the optimal Wiener filter, where the optimality with respect to the mean square error. The characteristic of this filter can be found in the frequency domain by using the Fourier transform. For quaternion signals, the inverse problem is complicated by the fact that the quaternion arithmetic is not commutative. The quaternion Fourier transform does not map the convolution to the operation of multiplication. In this paper, we analyze the linear model of the signal and image degradation with an additive independent noise and the optimal filtration of the signal and images in the frequency domain and in the quaternion space.
Fourier transform spectrometer based on Fabry-Perot interferometer.
Al-Saeed, Tarek A; Khalil, Diaa A
2016-07-10
We analyze the Fourier transform spectrometer based on a symmetric/asymmetric Fabry-Perot interferometer. In this spectrometer, the interferogram is obtained by recording the intensity as a function of the interferometer length. Then, we recover the spectrum by applying the discrete Fourier transform (DFT) directly on the interferogram. This technique results in spectral harmonic overlap and fictitious wavenumber components outside the original spectral range. For this purpose, in this work, we propose a second method to recover the spectrum. This method is based on expanding the DFT of the interferogram and the spectrum by a Haar or box function. By this second method, we recovered the spectrum and got rid of the fictitious spectral components and spectral harmonic overlap. PMID:27409306
Development of a multi-Fourier-transform interferometer: fundamentals.
Ohta, Izumi S; Hattori, Makoto; Matsuo, Hiroshi
2006-04-20
We describe the development of an instrument that uses a Martin-Puplett-type Fourier-transform spectrometer to apply an aperture synthesis technique to millimeter and submillimeter waves. We call this instrument a multi-Fourier-transform interferometer (MuFT). The MuFT performs wideband imaging, spectroscopy, and polarimetry, at millimeter and submillimeter wavelengths. We describe the fundamentals of the MuFT and give an example of one potential implementation. A full description of the observables with a MuFT is provided. A physical explanation of the observability of complex visibility by the MuFT is given. Fundamental restrictions on observations with the MuFT, e.g., limits on spectral and spatial resolution and on fields of view, are discussed. The advantages of the MuFT are summarized. PMID:16633405
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.
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.
Spectral measurements of exhaust gases using a Fourier transform spectrometer
NASA Astrophysics Data System (ADS)
Schruefer, Elmar; Lindermeir, Erwin; Palme, Frank; Wuelbern, K.
1993-09-01
In recent years environmental issues have become increasingly important. Especially the impact of gaseous emissions on the atmosphere is of great interest. As a consequence a group of several coworkers was established at the Institute for Electrical Measurement of the Technical University of Munich, Germany) with the task to develop and investigate spectroscopic methods and instruments for the analysis of the chemical compsition of exhaust gases. This article describes the advantages of the application of Fourier transform spectroscopy against conventional gas analysis devices. Moreover results of measurements of the exhaust of a smokestack of a coal fired power plant and of an aircraft engine are presented. The last section deals with the development of a Fourier transform spectrometer which is not equipped with any moving parts. This design was made especially for applications in harsh environments.
Visible Imaging Fourier Transform Spectrometer: Design and Calibration
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.
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.
Optimizing holographic data storage using a fractional Fourier transform.
Pégard, Nicolas C; Fleischer, Jason W
2011-07-01
We demonstrate a method to optimize the reconstruction of a hologram when the storage device has a limited dynamic range and a minimum grain size. The optimal solution at the recording plane occurs when the object wave has propagated an intermediate distance between the near and far fields. This distance corresponds to an optimal order and magnification of the fractional Fourier transform of the object. PMID:21725476
Fast Fourier transform analysis of rotor-bearing systems
NASA Technical Reports Server (NTRS)
Choy, K. C.; Gunter, E. J.; Allaire, P. E.
1978-01-01
Nonlinear transient analysis of rotor-bearing systems is becoming increasingly important in the analysis of modern-day rotating machinery to model such phenomena as oil film whirl. This paper develops an analysis technique incorporating modal analysis and fast Fourier transform techniques to analyze rotors with residual shaft bow and realistic nonlinear bearings. The technique is demonstrated on single-mass and three-mass rotor examples. Comparisons of the theoretical results with experimental data give excellent agreement.
Fourier transform Raman and IR spectra of snake skin
NASA Astrophysics Data System (ADS)
Barry, B. W.; Williams, A. C.; Edwards, H. G. M.
1993-06-01
The Fourier transform (FT) Raman and IR spectra of the shed dorsal skin of the snake Elaphe obsoleta (American black rat snake) are reported. Vibrational spectroscopic assignments are proposed for the first time. Although good quality Raman spectra were obtained from the hinge regions using an FT Raman microscope, the dorsal scale regions fluoresced even with 1064 nm IR excitation. This was ascribed to pigmentation markings on the scales.
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.
Construction of a Fourier-transform phase-modulation fluorometer
NASA Astrophysics Data System (ADS)
Shibata, Hironobu; Iwata, Tetsuo
2005-12-01
We have constructed a Fourier-transform phase-modulation fluorometer (FT-PMF) by which a fluorescence decay waveform can be obtained. In the FT-PMF, the modulation frequency of the excitation light source is swept continuously from a direct current (dc) to a high frequency f max with a time duration T. The resultant fluorescence signal waveform is Fourier-transformed to obtain its amplitude and phase spectra. The ratio of the amplitude spectrum and the difference of the phase spectrum over those of the reference spectra that are obtained from a non-fluorescent material are calculated, respectively, and the pair of both spectral data is inverse-Fourier-transformed again to obtain the fluorescence decay waveform. The light source used was an ultraviolet light emitting- diode (UV LED) whose typical operating condition was f max = 100 MHz and T = 10 μs. To demonstrate the performance of the FT-PMF, we carried out (1) measurement of a fluorescent decay waveform of YAG materials packed in a white LED, and (2) determination of fluorescence lifetime of 10 ppm quinine sulfate in 0.1N H IISO 4.
Construction of a Fourier-transform phase-modulation fluorometer
NASA Astrophysics Data System (ADS)
Iwata, Tetsuo; Shibata, Hironobu; Araki, Tsutomu
2005-11-01
We have constructed a Fourier-transform phase-modulation fluorometer (FT-PMF) by which a fluorescence decay waveform can be obtained. In the FT-PMF, the modulation frequency of the excitation light source is swept continuously from a direct current (dc) to a high frequency fmax with a time duration T. The resultant fluorescence signal waveform is Fourier transformed to obtain its amplitude and phase spectra. The ratio of the amplitude spectrum and the difference of the phase spectrum over those of the reference spectra from an excitation waveform are calculated, respectively, and the pair of both spectral data is inverse-Fourier-transformed again to obtain the fluorescence decay waveform. The light source used was an ultraviolet light-emitting diode (UV LED) whose operating condition was fmax = 50-120 MHz and T = 10 µs. To demonstrate the performance of the FT-PMF, we carried out (1) the measurement of a fluorescent decay waveform of YAG materials enclosed in a white LED and (2) determinations of fluorescence lifetimes of 10 ppm quinine sulfate in 0.1 N H2SO4 and 10 ppm rhodamine 6G in ethanol.
Wavelength-encoded tomography based on optical temporal Fourier transform
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.
Wigner distribution moments in fractional Fourier transform systems
NASA Astrophysics Data System (ADS)
Bastiaans, Martin J.; Alieva, Tatiana
2002-09-01
It is shown how all global Wigner distribution moments of arbitrary order in the output plane of a (generally anamorphic) two-dimensional fractional Fourier transform system can be expressed in terms of the moments in the input plane. Since Wigner distribution moments are identical to derivatives of the ambiguity function at the origin, a similar relation holds for these derivatives. The general input-output relationship is then broken down into a number of rotation-type input-output relationships between certain combinations of moments. It is shown how the Wigner distribution moments (or ambiguity function derivatives) can be measured as intensity moments in the output planes of a set of appropriate fractional Fourier transform systems and thus be derived from the corresponding fractional power spectra. The minimum number of (anamorphic) fractional power spectra that are needed for the determination of these moments is derived. As an important by-product we get a number of moment combinations that are invariant under (anamorphic) fractional Fourier transformation.
Wigner distribution moments in fractional Fourier transform systems.
Bastiaans, Martin J; Alieva, Tatiana
2002-09-01
It is shown how all global Wigner distribution moments of arbitrary order in the output plane of a (generally anamorphic) two-dimensional fractional Fourier transform system can be expressed in terms of the moments in the input plane. Since Wigner distribution moments are identical to derivatives of the ambiguity function at the origin, a similar relation holds for these derivatives. The general input-output relationship is then broken down into a number of rotation-type input-output relationships between certain combinations of moments. It is shown how the Wigner distribution moments (or ambiguity function derivatives) can be measured as intensity moments in the output planes of a set of appropriate fractional Fourier transform systems and thus be derived from the corresponding fractional power spectra. The minimum number of (anamorphic) fractional power spectra that are needed for the determination of these moments is derived. As an important by-product we get a number of moment combinations that are invariant under (anamorphic) fractional Fourier transformation. PMID:12216870
A Student's Guide to Fourier Transforms - 2nd Edition
NASA Astrophysics Data System (ADS)
James, J. F.
2002-09-01
Fourier transform theory is of central importance in a vast range of applications in physical science, engineering, and applied mathematics. This new edition of a successful student text provides a concise introduction to the theory and practice of Fourier transforms, using qualitative arguments wherever possible and avoiding unnecessary mathematics. After a brief description of the basic ideas and theorems, the power of the technique is then illustrated by referring to particular applications in optics, spectroscopy, electronics and telecommunications. The rarely discussed but important field of multi-dimensional Fourier theory is covered, including a description of computer-aided tomography (CAT-scanning). The final chapter discusses digital methods, with particular attention to the fast Fourier transform. Throughout, discussion of these applications is reinforced by the inclusion of worked examples. The book assumes no previous knowledge of the subject, and will be invaluable to students of physics, electrical and electronic engineering, and computer science. Expanded to include more emphasis on applications An established successful textbook for undergraduate and graduate students Includes worked examples and copious diagrams throughout
Design of high-resolution Fourier transform lens
NASA Astrophysics Data System (ADS)
Zhang, Lei; Zhong, Xing; Jin, Guang
2007-12-01
With the development of optical information processing, high-resolution Fourier transform lens has often been used in holographic data storage system, spatial filtering and observation of particles. This paper studies the optical design method of high-resolution Fourier transform optical lenses system, which could be used in particles observation and holographic data storage system. According to Fourier transform relation between object and its frequency plane and the theory of geometrical optics, the system with working wavelength 532nm and resolution 3μm was designed based on ZEMAX. A multi-configuration method was adopted to optimize the system's lenses. In the optical system, a diaphragm was placed at the system's spectrum plane and the system demanded a low vacuum to cut down the influences of atmosphere and other particles. The result of finite element analysis indicated that the influences of vacuum pumping to optics spacing and mirror surface shape very minor, and the imaging quality not being affected. This system has many advantages, such as simple structure, good image quality and a high resolution of 3μm. So it has a wide application prospect and can be used both in holographic data storage system and particles observation.
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.
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.
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.
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.
A prescription of Winograd's discrete Fourier transform algorithm
NASA Technical Reports Server (NTRS)
Zohar, S.
1979-01-01
A detailed and complete description of Winograd's discrete Fourier transform algorithm (DFT) is presented omitting all proofs and derivations. The algorithm begins with the transfer of data from the input vector array to the working array where the actual transformation takes place, otherwise known as input scrambling and output unscrambling. The third array holds constraints required in the transformation stage that are evaluated in the precomputation stage. The algorithm is made up of several FORTRAN subroutines which are not to be confused with practical software algorithmic implementation since they are designed for clarity and not for speed.
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.
Multinozzle supersonic expansion for Fourier transform absorption spectroscopy
NASA Astrophysics Data System (ADS)
Georges, R.; Durry, G.; Bach, M.; Pétrisse, R.; Jost, R.; Herman, M.
1995-12-01
A new supersonic expansion made of several, up to 31 aligned nozzles, on top of a set of powerful Roots blowers has been built. Adequate optics allowed the recording of infrared absorption spectra in a cell with a Fourier transform interferometer, at high spectral resolution. The system was tested with N 2O, between 2000 and 4800 cm -1. The ν1 + 2 ν2 + ν3 combination band, estimated to be some 10000 times weaker than the ν2 fundamental, could be observed among all the other expected bands, thus setting a limit for the sensitivity of the system. The formation of large N 2O clusters was observed.
Birefringent Fourier transform imaging spectrometer with a rotating retroreflector.
Bai, Caixun; Li, Jianxin; Shen, Yan; Zhou, Jianqiang
2016-08-01
A birefringent Fourier transform imaging spectrometer with a new lateral shearing interferometer is presented. The interferometer includes a Wollaston prism and a retroreflector. It splits an incident light beam into two shearing parallel parts to obtain interference fringe patterns of an imaging target, which is well established as an aid in reducing problems associated with optical alignment and manufacturing precision. Continuously rotating the retroreflector enables the spectrometer to acquire two-dimensional spectral images without spatial scanning. This technology, with a high work efficiency and low complexity, is inherently compact and robust. The effectiveness of the proposed method is demonstrated by the experimental results. PMID:27472640
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.
Fourier transform spectrometry for fiber-optic sensor systems
NASA Technical Reports Server (NTRS)
Beheim, Glenn; Tuma, Margaret L.; Sotomayor, Jorge L.; Flatico, Joseph M.
1993-01-01
An integrated-optic Mach-Zehnder interferometer is used as a Fourier transform spectrometer to analyze the input and output spectra of a temperature-sensing thin-film etalon. This type of spectrometer has an advantage over conventional grating spectrometers because it is better suited for use with time-division-multiplexed sensor networks. In addition, this spectrometer has the potential for low cost due to its use of a component that could be manufactured in large quantities for the optical communications industry.
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.
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.
Beam profile for the Herschel-SPIRE Fourier transform spectrometer.
Makiwa, Gibion; Naylor, David A; Ferlet, Marc; Salji, Carl; Swinyard, Bruce; Polehampton, Edward; van der Wiel, Matthijs H D
2013-06-01
One of the instruments on board the Herschel Space Observatory is the Spectral and Photometric Imaging Receiver (SPIRE). SPIRE employs a Fourier transform spectrometer with feed-horn-coupled bolometers to provide imaging spectroscopy. To interpret the resultant spectral images requires knowledge of the wavelength-dependent beam, which in the case of SPIRE is complicated by the use of multimoded feed horns. In this paper we describe a series of observations and the analysis conducted to determine the wavelength dependence of the SPIRE spectrometer beam profile. PMID:23736346
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.
Comparison of Fourier transform methods for calculating MTF
NASA Astrophysics Data System (ADS)
LaVeigne, Joseph D.; Burks, Stephen D.; Nehring, Brian
2008-04-01
Fourier transform methods common in infrared spectroscopy were applied to the problem of calculating the modulation transfer function (MTF) from a system's measured line spread function (LSF). Algorithms, including apodization and phase correction, are discussed in their application to remove unwanted noise from the higher frequency portion of the MTF curve. In general, these methods were found to significantly improve the calculated MTF. Apodization reduces the proportion of noise by discarding areas of the LSF where there is no appreciable signal. Phase correction significantly reduces the rectification of noise that occurs when the MTF is calculated by taking the power spectrum of the complex optical transfer function (OTF).
Wavelength-controlled variable-order optical fractional Fourier transform.
Hennelly, Bryan; Kelly, Damian; Sheridan, John T
2004-03-01
The relationship between optical fractional Fourier transforms (OFRTs) obtained at different wavelengths is derived by use of the ABCD matrix formalism. It is shown that varying the wavelength while retaining the same optical system can be used to control the order of the OFRT. The advantage of this method of varying OFRT order is that no variation in the characteristics of the bulk optics is required. A general experimental verification of the theory is provided by showing the exact equivalence of two OFRT systems of different order when they are replayed using the same input function at different wavelengths. PMID:15005181
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.
Dispersive Fourier transform spectroscopy with gases in the visible region
NASA Astrophysics Data System (ADS)
Kerl, K.; Häusler, H.
1984-05-01
The method of dispersive Fourier transform spectroscopy (DFTS) with gases in the visible wavenumber range is described in detail and compared with the method of scanning-wavelength interferometry (SWI). Measurements of the dispersion of the complex refractive index of gases can be performed successively in several minutes using the same apparatus and gas sample conditions for both methods. In the reported experiments with CH 4 a very simple mirror drive was used. Nevertheless, reasonable results are obtained for the dispersion of the real refractive index of CH 4 in the wavenumber range 16,000 ⩽ σ ⩽ 23,000 cm -1.
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.
Alternating multivariate trigonometric functions and corresponding Fourier transforms
NASA Astrophysics Data System (ADS)
Klimyk, A. U.; Patera, J.
2008-04-01
We define and study multivariate sine and cosine functions, symmetric with respect to the alternating group An, which is a subgroup of the permutation (symmetric) group Sn. These functions are eigenfunctions of the Laplace operator. They determine Fourier-type transforms. There exist three types of such transforms: expansions into corresponding sine-Fourier and cosine-Fourier series, integral sine-Fourier and cosine-Fourier transforms, and multivariate finite sine and cosine transforms. In all these transforms, alternating multivariate sine and cosine functions are used as a kernel.
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.
Computing the Fast Fourier Transform on a vector computer
NASA Technical Reports Server (NTRS)
Korn, D. G.; Lambiotte, J. J., Jr.
1979-01-01
Two algorithms are presented for performing a Fast Fourier Transform on a vector computer and are compared on the Control Data Corporation STAR-100. The relative merits of the two algorithms are shown to depend upon whether only a few or many independent transforms are desired. A theorem is proved which shows that a set of independent transforms can be computed by performing a partial transformation on a single vector. The results of this theorem also apply to nonvector machines and have reduced the average time per transform by a factor of two on the CDC 6600 computer.
Quantum control in two-dimensional Fourier-transform spectroscopy
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.
The gridding method for image reconstruction by Fourier transformation
Schomberg, H.; Timmer, J.
1995-09-01
This paper explores a computational method for reconstructing an n-dimensional signal f from a sampled version of its Fourier transform {cflx f}. The method involves a window function {cflx w} and proceeds in three steps. First, the convolution {cflx g} = {cflx w} * {cflx f} is computed numerically on a Cartesian grid, using the available samples of {cflx f}. Then, g = wf is computed via the inverse discrete Fourier transform, and finally f is obtained as g/w. Due to the smoothing effect of the convolution, evaluating {cflx w} * {cflx f} is much less error prone than merely interpolating {cflx f}. The method was originally devised for image reconstruction in radio astronomy, but is actually applicable to a broad range of reconstructive imaging methods, including magnetic resonance imaging and computed tomography. In particular, it provides a fast and accurate alternative to the filtered backprojection. The basic method has several variants with other applications, such as the equidistant resampling of arbitrarily sampled signals or the fast computation of the Radon (Hough) transform.
Novel fringe scanning/Fourier transform method of synthetic imaging
Crawford, T.M.; Albano, R.K.
1993-08-01
We have developed a one-dimensional theory and a computer model for synthetically imaging scenes using a novel fringe scanning/Fourier transform technique. Our method probes a scene using two interfering beams of slightly different frequency. These beams form a moving fringe pattern which scans the scene and resonates with any spatial frequency components having the same spatial frequency as the scanning fringe pattern. A simple, non-imaging detector above the scene observes any scattered radiation from the scene falling onto it. If a resonance occurs between the scanning fringe pattern and the scene, then the scattered radiation will be modulated at the difference frequency between the two probing beams. By changing the spatial period of the fringe pattern and then measuring the amplitude and phase of the modulated radiation that is scattered from the scene, the Fourier amplitudes and phases of the different spatial frequency components making up the scene can be measured. A synthetic image of the scene being probed can be generated from this Fourier amplitude and phase data by taking the inverse Fourier transform of this information. This technique could be used to image objects using light, ultrasonic, or other electromagnetic or acoustic waves.
Ultrafast and versatile spectroscopy by temporal Fourier transform
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
Integrated optics in an electrically scanned imaging Fourier transform spectrometer
NASA Technical Reports Server (NTRS)
Breckinridge, James B. (Inventor); Ocallaghan, Fred G. (Inventor)
1982-01-01
An efficient, lightweight and stable, Fourier transform spectrometer was developed. The mechanical slide mechanism needed to create a path difference was eliminated by the use of retro-reflecting mirrors in a monolithic interferometer assembly in which the mirrors are not at 90 degrees to the propagation vector of the radiation, but rather at a small angle. The resulting plane wave fronts create a double-sided inteferogram of the source irradiance distribution which is detected by a charge-coupled device image sensor array. The position of each CCD pixel in the array is an indication of the path difference between the two retro-reflecting mirrors in the monolithic optical structure. The Fourier transform of the signals generated by the image sensor provide the spectral irradiance distribution of the source. For imaging, the interferometer assembly scans the source of irradiation by moving the entire instrument, such as would occur if it was fixedly mounted to a moving platform, i.e., a spacecraft. During scanning, the entrace slot to the monolithic optical structure sends different pixels to corresponding interferograms detected by adjacent columns of pixels of the image sensor.
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.
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.
Relationship between fractional calculus and fractional Fourier transform
NASA Astrophysics Data System (ADS)
Zhang, Yanshan; Zhang, Feng; Lu, Mingfeng
2015-09-01
The fractional calculus (FC) deals with integrals and derivatives of arbitrary (i.e., non-integer) order, and shares its origins with classical integral and differential calculus. The fractional Fourier transform (FRFT), which has been found having many applications in optics and other areas, is a generalization of the usual Fourier transform. The FC and the FRFT are two of the most interesting and useful fractional areas. In recent years, it appears many papers on the FC and FRFT, however, few of them discuss the connection of the two fractional areas. We study their relationship. The relational expression between them is deduced. The expectation of interdisciplinary cross fertilization is our motivation. For example, we can use the properties of the FC (non-locality, etc.) to solve the problem which is difficult to be solved by the FRFT in optical engineering; we can also through the physical meaning of the FRFT optical implementation to explain the physical meaning of the FC. The FC and FRFT approaches can be transposed each other in the two fractional areas. It makes that the success of the fractional methodology is unquestionable with a lot of applications, namely in nonlinear and complex system dynamics and image processing.
Imaging Fourier transform spectrometer (IFTS): parametric sensitivity analysis
NASA Astrophysics Data System (ADS)
Keller, Robert A.; Lomheim, Terrence S.
2005-06-01
Imaging Fourier transform spectrometers (IFTS) allow for very high spectral resolution hyperspectral imaging while using moderate size 2D focal plane arrays in a staring mode. This is not the case for slit scanning dispersive imaging spectrometers where spectral sampling is related to the focal plane pixel count along the spectral dimension of the 2D focal plane used in such an instrument. This can become a major issue in the longwave infrared (LWIR) where the operability and yield of highly sensitivity arrays (i.e.HgCdTe) of large dimension are generally poor. However using an IFTS introduces its own unique set of issues and tradeoffs. In this paper we develop simplified equations for describing the sensitivity of an IFTS, including the effects of data windowing. These equations provide useful insights into the optical, focal plane and operational design trade space that must be considered when examining IFTS concepts aimed at a specific sensitivity and spectral resolution application. The approach is illustrated by computing the LWIR noise-equivalent spectral radiance (NESR) corresponding to the NASA Geosynchronous Imaging Fourier Transform Spectrometer (GIFTS) concept assuming a proven and reasonable noise-equivalent irradiance (NEI) capability for the focal plane.
Buck, Achim; Balluff, Benjamin; Voss, Andreas; Langer, Rupert; Zitzelsberger, Horst; Aichler, Michaela; Walch, Axel
2016-05-17
In research and clinical settings, formalin-fixed and paraffin-embedded (FFPE) tissue specimens are collected routinely and therefore this material constitutes a highly valuable source to gather insight in metabolic changes of diseases. Among mass spectrometry techniques to examine the molecular content of FFPE tissue, mass spectrometry imaging (MSI) is the most appropriate when morphological and histological features are to be related to metabolic information. Currently, high-resolution mass spectrometers are widely used for metabolomics studies. However, with regards to matrix-assisted laser desorption/ionization (MALDI) MSI, no study has so far addressed the necessity of instrumental mass resolving power in terms of clinical diagnosis and prognosis using archived FFPE tissue. For this matter we performed for the first time a comprehensive comparison between a high mass resolution Fourier-transform ion cyclotron resonance (FTICR) mass spectrometer and a time-of-flight (TOF) instrument with lower mass resolving power. Spectra analysis revealed that about one-third of the detected peaks remained unresolved by MALDI-TOF, which led to a 3-5 times lower number of m/z features compared to FTICR measurements. Overlaid peak information and background noise in TOF images made a precise assignment of molecular attributes to morphological features more difficult and limited classification approaches. This clearly demonstrates the need for high-mass resolution capabilities for metabolite imaging. Nevertheless, MALDI-TOF allowed reproducing and verifying individual markers identified previously by MALDI-FTICR MSI. The systematic comparison gives rise to a synergistic combination of the different MSI platforms for high-throughput discovery and validation of biomarkers. PMID:27065343
Rey, C; Shimizu, M; Collins, B; Glimcher, M J
1990-06-01
In order to investigate the possible existence in biological and poorly crystalline synthetic apatites of local atomic organizations different from that of apatite, resolution-enhanced, Fourier transform infrared spectroscopy studies were carried out on chicken bone, pig enamel, and poorly crystalline synthetic apatites containing carbonate and HPO4(2-) groups. The spectra obtained were compared to those of synthetic well crystallized apatites (stoichiometric hydroxyapatite, HPO4(2-)-containing apatite, type B carbonate apatite) and nonapatitic calcium phosphates which have been suggested as precursors of the apatitic phase [octacalcium phosphate (OCP), brushite, and beta tricalcium phosphate and whitlockite]. The spectra of bone and enamel, as well as poorly crystalline, synthetic apatite in the upsilon 4 PO4 domain, exhibit, in addition to the three apatitic bands, three absorption bands that were shown to be independent of the organic matrix. Two low-wave number bands at 520-530 and 540-550 cm-1 are assigned to HPO4(2-). Reference to known calcium phosphates shows that bands in this domain also exist in HPO4(2-)-containing apatite, brushite, and OCP. However, the lack of specific absorption bands prevents a clear identification of these HPO4(2-) environments. The third absorption band (610-615 cm-1) is not related to HPO4(2-) or OH- ions. It appears to be due to a labile PO4(3-) environment which could not be identified with any phosphate environment existing in our reference samples, and thus seems specific of poorly crystalline apatites. Correlation of the variations in band intensities show that 610-615 cm-1 band is related to an absorption band at 560 cm-1 superimposed on an apatite band. All the nonapatitic phosphate environments were shown to decrease during aging of enamel, bone, and synthetic apatites. Moreover, EDTA etching show that the labile PO4(3-) environment exhibited a heterogeneous distribution in the insoluble precipitate. PMID:2364326
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.
Extreme-ultraviolet lensless Fourier-transform holography.
Lee, S H; Naulleau, P; Goldberg, K A; Cho, C H; Jeong, S; Bokor, J
2001-06-01
We demonstrate 100-nm-resolution holographic aerial image monitoring based on lensless Fourier-transform holography at extreme-UV (EUV) wavelengths, using synchrotron-based illumination. This method can be used to monitor the coherent imaging performance of EUV lithographic optical systems. The system has been implemented in the EUV phase-shifting point-diffraction interferometer recently developed at Lawrence Berkeley National Laboratory. Here we introduce the idea of the holographic aerial image-recording technique and present imaging performance characterization results for a 10x Schwarzschild objective, a prototype EUV lithographic optic. The results are compared with simulations, and good agreement is obtained. Various object patterns, including phase-shift-enhanced patterns, have been studied. Finally, the application of the holographic aerial image-recording technique to EUV multilayer mask-blank defect characterization is discussed. PMID:18357280
Triple image encryption scheme in fractional Fourier transform domains
NASA Astrophysics Data System (ADS)
Liu, Zhengjun; Dai, Jingmin; Sun, Xiaogang; Liu, Shutian
2009-02-01
We proposed a triple image encryption scheme by use of fractional Fourier transform. In this algorithm, an original image is encoded in amplitude part and other two images are encoded into phase information. The key of encryption algorithm is obtained from the difference between the third image and the output phase of transform. In general case, random phase encoding technology is not required in the proposed algorithm. Moreover, all information of images is preserved in theory when image are decrypted with correct key. The optical implementation of the algorithm is presented with an electro-optical hybrid structure. Numerical simulations have demonstrated the efficiency and the security of this algorithm. Based on this scheme a multiple image algorithm is expanded and designed.
Discrimination of different Chrysanthemums with Fourier transform infrared spectroscopy
NASA Astrophysics Data System (ADS)
Liu, Hong-xia; Zhou, Qun; Sun, Su-qin; Bao, Hong-juan
2008-07-01
Use Fourier transform infrared spectroscopy (FT-IR) to analyze simultaneously the main chemical constituents in different solvent extracts of seven kinds of Chrysanthemum samples of different regions. The findings indicate that different Chrysanthemum samples have dissimilar fingerprint characters in FT-IR spectra. Such spectral technique can provide substance structural information of the complicated test samples. According to these spectral fingerprint features, we cannot only identify the main components of different extracts, but also distinguish the origins of the Chrysanthemum samples from different regions easily, which is a troublesome work by existing analytical methods. FT-IR, with the characters of speediness, good repeatability and easy operation, can be used as an effective analytical means to study the complicated system, in our research, the tradition Chinese medicines.
A Fourier transform spectrometer for site testing at Dome A
NASA Astrophysics Data System (ADS)
Li, Xin-Xing; Paine, Scott; Yao, Qi-Jun; Shi, Sheng-Cai; Matsuo, Hiroshi; Yang, Ji; Zhang, Qi-Zhou
2009-07-01
Observations in tera-hertz astronomy can only be done at a site with good atmospheric transmission at millimeter and submillimeter wavelengths. With extremely dry weather and calm atmosphere resulted by high altitude and cold temperature, Dome A (or Dome Argus), Antarctica, is possibly the best site on this earth for THz astronomy. To evaluate the site condition there, we are constructing a Fourier Transform Spectrometer (FTS) based on Martin-Puplett interferometer to measure the atmospheric transmission in the frequency range of 0.75~15THz. The whole FTS system is designed for unattended and outdoor (temperatures even below -70 degrees Celsius) operation. Its total power consumption is estimated to be approximately 200W. This contribution will give a brief overview of this FTS development.
Fourier Transform Mass Spectrometry: The Transformation of Modern Environmental Analyses
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
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.
A high-resolution Fourier Transform Spectrometer for planetary spectroscopy
NASA Technical Reports Server (NTRS)
Cruikshank, D. P.; Sinton, W. M.
1973-01-01
The employment of a high-resolution Fourier Transform Spectrometer (FTS) is described for planetary and other astronomical spectroscopy in conjunction with the 88-inch telescope at Mauna Kea Observatory. The FTS system is designed for a broad range of uses, including double-beam laboratory spectroscopy, infrared gas chromatography, and nuclear magnetic resonance spectroscopy. The data system is well-suited to astronomical applications because of its great speed in acquiring and transforming data, and because of the enormous storage capability of the magnetic tape unit supplied with the system. The basic instrument is outlined 2nd some of the initial results from the first attempted use on the Mauna Kea 88-inch telescope are reported.
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.
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.
Experimental results from an airborne static Fourier transform imaging spectrometer.
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. PMID:22015418
High throughput full Stokes Fourier transform imaging spectropolarimetry.
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. PMID:24514802
Multifunctional metasurface lens for imaging and Fourier transform
NASA Astrophysics Data System (ADS)
Wen, Dandan; Yue, Fuyong; Ardron, Marcus; Chen, Xianzhong
2016-06-01
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.
Instrument concept of the imaging Fourier transform spectrometer GLORIA
NASA Astrophysics Data System (ADS)
Friedl-Vallon, F.; Gulde, T.; Hase, F.; Kleinert, A.; Kulessa, T.; Maucher, G.; Neubert, T.; Olschewski, F.; Piesch, C.; Preusse, P.; Rongen, H.; Sartorius, C.; Schneider, H.; Schönfeld, A.; Tan, V.; Bayer, N.; Blank, J.; Dapp, R.; Ebersoldt, A.; Fischer, H.; Graf, F.; Guggenmoser, T.; Höpfner, M.; Kaufmann, M.; Kretschmer, E.; Latzko, T.; Nordmeyer, H.; Oelhaf, H.; Orphal, J.; Riese, M.; Schardt, G.; Schillings, J.; Sha, M. K.; Suminska-Ebersoldt, O.; Ungermann, J.
2014-03-01
The Gimballed Limb Observer for Radiance Imaging of the Atmosphere (GLORIA) is an imaging limb emission sounder operating in the thermal infrared region. It is designed to provide measurements of the Upper Troposphere/Lower Stratosphere with high spatial and high spectral resolution. The instrument consists of an imaging Fourier transform spectrometer integrated in a gimbal. The assembly can be mounted in the belly pod of the German high altitude and long range research aircraft HALO and in instrument bays of the Russian M55 Geophysica. Measurements are made predominantly in two distinct modes: the chemistry mode emphasises chemical analysis with high spectral resolution, the dynamics mode focuses on dynamical processes of the atmosphere with very high spatial resolution. In addition the instrument allows tomographic analyses of air volumes. The first measurement campaigns have shown compliance with key performance and operational requirements.
Instrument concept of the imaging Fourier transform spectrometer GLORIA
NASA Astrophysics Data System (ADS)
Friedl-Vallon, F.; Gulde, T.; Hase, F.; Kleinert, A.; Kulessa, T.; Maucher, G.; Neubert, T.; Olschewski, F.; Piesch, C.; Preusse, P.; Rongen, H.; Sartorius, C.; Schneider, H.; Schönfeld, A.; Tan, V.; Bayer, N.; Blank, J.; Dapp, R.; Ebersoldt, A.; Fischer, H.; Graf, F.; Guggenmoser, T.; Höpfner, M.; Kaufmann, M.; Kretschmer, E.; Latzko, T.; Nordmeyer, H.; Oelhaf, H.; Orphal, J.; Riese, M.; Schardt, G.; Schillings, J.; Sha, M. K.; Suminska-Ebersoldt, O.; Ungermann, J.
2014-10-01
The Gimballed Limb Observer for Radiance Imaging of the Atmosphere (GLORIA) is an imaging limb emission sounder operating in the thermal infrared region. It is designed to provide measurements of the upper troposphere/lower stratosphere with high spatial and high spectral resolution. The instrument consists of an imaging Fourier transform spectrometer integrated into a gimbal. The assembly can be mounted in the belly pod of the German High Altitude and Long Range research aircraft (HALO) and in instrument bays of the Russian M55 Geophysica. Measurements are made in two distinct modes: the chemistry mode emphasises chemical analysis with high spectral resolution, and the dynamics mode focuses on dynamical processes of the atmosphere with very high spatial resolution. In addition, the instrument allows tomographic analyses of air volumes. The first measurement campaigns have shown compliance with key performance and operational requirements.
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.
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.; Rentz Dupuis, Julia
2013-05-01
We report on our current status towards the development of a prototype Fourier transform infrared phase shift cavity ring down spectrometer (FTIR-PS-CRDS) system under a U.S. EPA SBIR contract. Our 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, which is proportional to the losses of the cavity including those due to molecular absorption. Our approach is a broadband and spectral range enhancement to conventional CRDS which is typically done in the near IR at a single wavelength; at the same time our approach is a sensitivity enhancement to traditional FTIR owing to the long effective path of the resonant cavity. In this paper we present a summary of the theory including performance projections and the design details of the prototype FTIR-PS-CRDS system.
Parallel fast Fourier transforms for non power of two data
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.
On the abstracted dataflow complexity of Fast Fourier Transforms
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.
Highly sensitive Fourier transform spectroscopy with LED sources
NASA Astrophysics Data System (ADS)
Serdyukov, V. I.; Sinitsa, L. N.; Vasil'chenko, S. S.
2013-08-01
It is shown that the use of high luminance LED emitters as a light source for Fourier transform spectrometers permits to enhance their threshold sensitivity in the visible range by orders of magnitude. Using a 2.5 W Edixeon EDEI-1LS3 emitter in the range of 11,350-11,700 cm-1 as a light source for the spectrometer with a 60-cm multipass cell during a 24-h measurement time, we have achieved a signal-to-noise ratio of 4.5 × 104 which corresponds to the minimal detectable absorption coefficient of 1.2 × 10-8 cm-1. Such enhanced sensitivity spectrometer has been used to measure the transition frequencies of CO2 vibrational bands 00051-00001 and 01151-01101 in the range of 11,400-11,500 cm-1.
Indirect Fourier transform in the context of statistical inference.
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. PMID:27580204
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.
Solar radiometry at millimeter wavelengths. [Fast Fourier Transformation solutions
NASA Technical Reports Server (NTRS)
Henze, W.
1974-01-01
In the area of resolution enhancement, the use of Fast Fourier Transform programs was investigated for possible application to millimeter wavelength maps of the sun. A difficulty arises with the La Posta maps in that they are limited to 35 arc-minutes square while the smeared out solar image is larger than that. A list of possible cometary emission lines near 13 millimeters is presented. Although preparation of the list was inspired by the appearance of Comet Kohoutek, the results are applicable to any future comet. The brightness temperature of the sun at 8.6 millimeters was measured using the moon as a calibration source. The result does not confirm a deep absorption feature as apparently observed by earlier workers.
On the abstracted dataflow complexity of Fast Fourier Transforms
Boehm, A.P.W. . Dept. of Computer Science); Hiromoto, R.E.; Kelly, K.A. ); Ashley, J.M. . Dept. of Computer Science)
1992-01-01
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.
Multifunctional metasurface lens for imaging and Fourier transform
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
Generation of Fourier-transform-limited heralded single photons
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.
Universal calculation formula and calibration method in Fourier transform profilometry
Wen Yongfu; Li Sikun; Cheng Haobo; Su Xianyu; Zhang Qican
2010-12-01
We propose a universal calculation formula of Fourier transform profilometry and give a strict theoretical analysis about the phase-height mapping relation. As the request on the experimental setup of the universal calculation formula is unconfined, the projector and the camera can be located arbitrarily to get better fringe information, which makes the operation flexible. The phase-height calibration method under the universal condition is proposed, which can avoid measuring the system parameters directly. It makes the system easy to manipulate and improves the measurement velocity. A computer simulation and experiment are conducted to verify its validity. The calculation formula and calibration method have been applied to measure an object of 22.00 mm maximal height. The relative error of the measurement result is only 0.59%. The experimental results prove that the three-dimensional shape of tested objects can be reconstructed exactly by using the calculation formula and calibration method, and the system has better universality.
A study of geometric phase topology using Fourier transform method
NASA Astrophysics Data System (ADS)
Samlan, C. T.; Naik, Dinesh N.; Viswanathan, Nirmal K.
2016-07-01
Topological aspect of the geometric phase (GP) due to pure polarization projection is studied using the 2D Fourier transform (2D-FT) method. Projection of orthogonal polarization state results in a phase singularity in the 2D parameter space of ellipticity and orientation of polarization ellipse. Projection of its surrounding states results in an accumulation of GP in different amount that form a spiral structure. A half wave plate–quarter wave plate combination is used to generate different polarization states which are projected using a polarizer. The accumulated phase for each orientation of the wave plate is extracted from 2D-FT of the interferogram, obtained by interfering it with a reference beam in a Mach–Zehnder like interferometer.
Multifunctional metasurface lens for imaging and Fourier transform.
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
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
Denoising and deblurring of Fourier transform infrared spectroscopic imaging data
NASA Astrophysics Data System (ADS)
Nguyen, Tan H.; Reddy, Rohith K.; Walsh, Michael J.; Schulmerich, Matthew; Popescu, Gabriel; Do, Minh N.; Bhargava, Rohit
2012-03-01
Fourier transform infrared (FT-IR) spectroscopic imaging is a powerful tool to obtain chemical information from images of heterogeneous, chemically diverse samples. Significant advances in instrumentation and data processing in the recent past have led to improved instrument design and relatively widespread use of FT-IR imaging, in a variety of systems ranging from biomedical tissue to polymer composites. Various techniques for improving signal to noise ratio (SNR), data collection time and spatial resolution have been proposed previously. In this paper we present an integrated framework that addresses all these factors comprehensively. We utilize the low-rank nature of the data and model the instrument point spread function to denoise data, and then simultaneously deblurr and estimate unknown information from images, using a Bayesian variational approach. We show that more spatial detail and improved image quality can be obtained using the proposed framework. The proposed technique is validated through experiments on a standard USAF target and on prostate tissue specimens.
Color image encryption based on joint fractional Fourier transform correlator
NASA Astrophysics Data System (ADS)
Lu, Ding; Jin, Weimin
2011-06-01
In this paper, an optical color image encryption/decryption technology based on joint fractional Fourier transform correlator and double random phase encoding (DRPE) is developed. In this method, the joint fractional power spectrum of the image to be encrypted and the key codes is recorded as the encrypted data. Different from the case with classical DRPE, the same key code was used both in the encryption and decryption. The security of the system is enhanced because of the fractional order as a new added key. This method takes full advantage of the parallel processing features of the optical system, and could optically realize single-channel color image encryption. The experimental results indicate that the new method is feasible.
Fourier Transform Mass Spectrometry: The Transformation of Modern Environmental Analyses.
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
Application of Fourier transform infrared spectroscopy to examination of documents
NASA Astrophysics Data System (ADS)
Zieba-Palus, Janina; Trzcinska, Beata
1992-03-01
Some 30 samples of writing and wrapping paper were examined using two techniques: transmission (as a KBr disc) and diffuse reflectance. About 15 blue ball pen ink samples were extracted directly from the document by means of a C2H5OH - CHCl3 mixture using an extraction apparatus which enables the separation of impurities (coming from a paper) from the extracted ball pen inks. Infrared spectra were measured on a Digilab Fourier transform spectrometer FTS-15 within the range 400 - 3800 cm-1. Statistical inference based on T2 Hotelling's test to assess the significance of differences observed in IR spectra of samples without examining the origin and essence of those differences was applied. The analysis of the spectral data was performed on a IBM-AT computer.
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.
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),
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.
Parameterized Spectral Bathymetric Roughness Using the Nonequispaced Fast Fourier Transform
NASA Astrophysics Data System (ADS)
Fabre, David Hanks
The ocean and acoustic modeling community has specifically asked for roughness from bathymetry. An effort has been undertaken to provide what can be thought of as the high frequency content of bathymetry. By contrast, the low frequency content of bathymetry is the set of contours. The two-dimensional amplitude spectrum calculated with the nonequispaced fast Fourier transform (Kunis, 2006) is exploited as the statistic to provide several parameters of roughness following the method of Fox (1996). When an area is uniformly rough, it is termed isotropically rough. When an area exhibits lineation effects (like in a trough or a ridge line in the bathymetry), the term anisotropically rough is used. A predominant spatial azimuth of lineation summarizes anisotropic roughness. The power law model fit produces a roll-off parameter that also provides insight into the roughness of the area. These four parameters give rise to several derived parameters. Algorithmic accomplishments include reviving Fox's method (1985, 1996) and improving the method with the possibly geophysically more appropriate nonequispaced fast Fourier transform. A new composite parameter, simply the overall integral length of the nonlinear parameterizing function, is used to make within-dataset comparisons. A synthetic dataset and six multibeam datasets covering practically all depth regimes have been analyzed with the tools that have been developed. Data specific contributions include possibly discovering an aspect ratio isotropic cutoff level (less than 1.2), showing a range of spectral fall-off values between about -0.5 for a sandybottomed Gulf of Mexico area, to about -1.8 for a coral reef area just outside of the Saipan harbor. We also rank the targeted type of dataset, the best resolution gridded datasets, from smoothest to roughest using a factor based on the kernel dimensions, a percentage from the windowing operation, all multiplied by the overall integration length.
High-resolution lensless Fourier transform holography for microstructure imaging
NASA Astrophysics Data System (ADS)
Zhao, Jie; Wang, Dayong; Wang, Huaying; Xie, Jianjun
2007-12-01
Digital holography combines the advantages of the optical holography and the computers. It can implement an all-digital processing and has the quasi real-time property. With lensless Fourier transform recording architecture, the limited bandwidth of CCD camera can be utilized sufficiently, and the sampling theorem is satisfied easily. Therefore, high-resolution can be achieved. So it is preferred in the microstructure imaging. In the paper, based on the Fresnel diffraction theory and the off-axis lensless Fourier transform recording architecture, the experimental optimization and correspondingly the digital reconstruction was investigated. Also, the lateral resolution of the reconstructed image was analyzed and improved by the proposed techniques. When the USAF test target was imaged without any pre-magnification, the lateral resolution of 3.1μm was achieved, which matched the theoretical prediction very well. The key points to achieve high resolution image are to use the smaller object and to arrange the distance between the object and the CCD plane as short as possible. Meanwhile, properly overlapping the reconstructed image with the DC term was helpful to improve the resolution. The noise in the reconstructed image could be reduced greatly by choosing the optical elements precisely and adjusting the beam path finely. The experimental results demonstrated that it is possible for the digital holographic microscopy to produce the high resolution image without the objective pre-magnification. The results also showed that, with a high quality hologram, the special image processing during the reconstruction may be unnecessary to obtain a high quality image.
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.
Fourier Transform Spectroscopy Using Surface Electromagnetic Waves With Aperture Excitation
NASA Astrophysics Data System (ADS)
Gushanskaya, N. Y.; Yakovlev, V. A.; Zhizhin, G. N.; Chesters, M. A.; Parker, S. F.
1989-12-01
The surface electromagnetic wave (SEW) spectroscopy 1 with laser sources of the IR radiat on has demonstrated high sensitivity to the state of the surface. The measurements of SEW attenuation on the sample give the information about the sample conductivity, surface roughness and about the presence of oxide or adsorbate on the metal surface, especially If their absorption bands are in the spectral region where laser lines are available. High sensitivity of modern Fourier transform spectrometers allows to detect SEW excited by broadband source. We have used Fourier transform spectrometers FTS-20V (Digilab) and IFS-113 (Bruker) with liquid nitrogen cooled detectors (Hg-CD-Te). On the metal (Ag, Al, Au, Cu, V, Be) surface SEW were excited using aperture coupling. The experiment is schematically shown on the fig.1. IR radiation from interferometer was focused on the gap between the sample 3 surface and the screen 1 placed at the distance of the order of 100 μm. In such a way on the gap propagating along a metal SEW and bulk radiation above the metal are excited. SEW runs from the aperture coupler to the edge of the sample (this distance could be varied from 2 to 30 mm) and decouples into the bulk radiation on the edge. The second screen 2 above the edge cut the bulk radiation from the aperture coupler. If we change the distance between the screens it is possible to obtain SEW absorption coefficient at different frequences from the output intensity variation. Fig.2 shows SEW propagation length spectra for Au and Cu. For these metals and also for Ag 2 propagation length is proportional to the square of the wavelength as it is predicted by Drude model. For Al such dependence is valid in the oxide transperancy region, in the region 800-1000 cm -1 natural oxide film give absorption band shown on Oxide films are well recognizible also on Be and V. Thermal growth or oxide film was studied (rig.4).
The Empirical Mode Decomposition algorithm via Fast Fourier Transform
NASA Astrophysics Data System (ADS)
Myakinin, Oleg O.; Zakharov, Valery P.; Bratchenko, Ivan A.; Kornilin, Dmitry V.; Artemyev, Dmitry N.; Khramov, Alexander G.
2014-09-01
In this paper we consider a problem of implementing a fast algorithm for the Empirical Mode Decomposition (EMD). EMD is one of the newest methods for decomposition of non-linear and non-stationary signals. A basis of EMD is formed "on-the-fly", i.e. it depends from a distribution of the signal and not given a priori in contrast on cases Fourier Transform (FT) or Wavelet Transform (WT). The EMD requires interpolating of local extrema sets of signal to find upper and lower envelopes. The data interpolation on an irregular lattice is a very low-performance procedure. A classical description of EMD by Huang suggests doing this through splines, i.e. through solving of a system of equations. Existence of a fast algorithm is the main advantage of the FT. A simple description of an algorithm in terms of Fast Fourier Transform (FFT) is a standard practice to reduce operation's count. We offer a fast implementation of EMD (FEMD) through FFT and some other cost-efficient algorithms. Basic two-stage interpolation algorithm for EMD is composed of a Upscale procedure through FFT and Downscale procedure through a selection procedure for signal's points. First we consider the local maxima (or minima) set without reference to the axis OX, i.e. on a regular lattice. The Upscale through the FFT change the signal's length to the Least Common Multiple (LCM) value of all distances between neighboring extremes on the axis OX. If the LCM value is too large then it is necessary to limit local set of extrema. In this case it is an analog of the spline interpolation. A demo for FEMD in noise reduction task for OCT has been shown.
Loo, J.A.; Williams, E.R.; Amster, I.J.; Furlong, J.J.; Wang, B.H.
1987-07-15
Plasma desorption (PD) using /sup 252/CF produces analytically useful Fourier-transform (FT) mass spectra from compounds of molecular weights to 2000. In direct comparison to PD spectra measured conventionally on time-of-flight instruments, PD-FT spectra have much higher resolution and useful fragment-ion information, but have higher backgrounds and orders-of-magnitude lower ion-collection efficiencies. Signal levels have been improved substantially by depositing the sample with glutathione or on nitrocellulose, by repeated (1-2 minutes) spectral measurements during ion production without ion quenching, and by separate optimization of the potential on the sample holder and trapping plates.
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.
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
The use of near infrared Fourier Transform techniques in the study of surface enhanced Raman spectra
NASA Astrophysics Data System (ADS)
Fleischmann, M.; Sockalingum, D.; Musiani, M. M.
Near infrared Fourier Transform Raman spectroscopy has been used to study the SERS of a number of electrode-solution interfaces. These measurements are illustrated by the following examples: the adsorption of pyridine on Ag, Cu and An surfaces; the adsorption of ferri- and ferrocyanide ions on An electrodes in two different support electrolytes; the behaviour of the corrosion inhibitors benzotriazole and 2-aminopyrimidine at Cu surfaces. Measurements of the DSERS spectra of pyridine at Ag electrodes and of normal Raman spectra of pyridine at Pt electrodes are also reported. The results are also compared with data taken by conventional methods in the visible region and the advantages of this newly developed technique are assessed.
Schnegg, Alexander; Behrends, Jan; Lips, Klaus; Bittl, Robert; Holldack, Karsten
2009-08-21
Frequency domain Fourier transform THz electron paramagnetic resonance (FD-FT THz-EPR) based on coherent synchrotron radiation (CSR) is presented as a novel tool to ascertain very large zero field splittings in transition metal ion complexes. A description of the FD-FT THz-EPR at the BESSY II storage ring providing CSR in a frequency range from 5 cm(-1) up to 40 cm(-1) at external magnetic fields from -10 T to +10 T is given together with first measurements on the single molecule magnet Mn(12)Ac where we studied DeltaM(S) = +/-1 spin transition energies as a function of the external magnetic field and temperature. PMID:19639156
Visser, T; Vredenbregt, M J; de Jong, A P; van Rossum, H J; Stephany, R W; van Ginkel, L A
1994-12-01
Cryotrapping gas chromatography-Fourier transform infrared spectrometry has been used for confirmation analysis of the beta-agonists clenbuterol, salbutamol, mabuterol, bromobuterol, cimaterol, cimbuterol and mapenterol in urine and liver samples of veal calves, subsequent to selected ion detection gas chromatography-mass spectrometry. Samples have been analysed as their trimethylsilyl and methylboronate derivatives. Methylboronate derivatives yielded strongly diminished chemical background and interference levels in the infrared chromatograms of standards and samples. The limit of identification for methylboronate derivatives was at the low ppb level in incurred samples. The similarity of analyte and reference spectra, together with the retention time, was found to be a useful criterion for confirmation of unknown compounds. PMID:7879875
Single beam Fourier transform digital holographic quantitative phase microscopy
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.
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.
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)
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.
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.
Liquid chromatography/Fourier transform IR spectrometry interface flow cell
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.
Toward a soft x-ray Fourier-transform spectrometer
Howells, M.R.; Frank, K.; Hussain, Z.; Moler, E.J.; Reich, T. |; Moeller, D.; Shirley, D.A.
1993-10-29
The use of Fourier transform spectroscopy (FTS) in the soft x-ray region is advocated as a possible route to spectral resolution superior to that attainable with a grating system. A technical plan is described for applying FTS to the study of the absorption spectrum of helium in the region of double ionization around 60--80 eV. The proposed scheme includes a Mach-Zehnder interferometer deformed into a rhombus shape to provide grazing incidence reflections. The path difference between the interfering beams is to be tuned by translation of a table carrying four mirrors over a range {+-}1 cm which, in the absence of errors generating relative tilts of the wave fronts, would provide a resolving power equal to the number of waves of path difference: half a million at 65 eV, for example. The signal-to-noise ratio of the spectrum is analyzed and for operation on an Advanced Light Source bending magnet beam line should be about 330.
Spectroscopic Stokes polarimetry based on Fourier transform spectrometer
NASA Astrophysics Data System (ADS)
Liu, Yeng-Cheng; Lo, Yu-Lung; Li, Chang-Ye; Liao, Chia-Chi
2015-02-01
Two methods are proposed for measuring the spectroscopic Stokes parameters using a Fourier transform spectrometer. In the first method, it is designed for single point measurement. The parameters are extracted using an optical setup comprising a white light source, a polarizer set to 0°, a quarter-wave plate and a scanning Michelson interferometer. In the proposed approach, the parameters are extracted from the intensity distributions of the interferograms produced with the quarter-wave plate rotated to 0°, 22.5°, 45° and -45°, respectively. For the second approach, the full-field and dynamic measurement can be designed based upon the first method with special angle design in a polarizer and a quarter-wave plate. Hence, the interferograms of two-dimensional detection also can be simultaneously extracted via a pixelated phase-retarder and polarizer array on a high-speed CCD camera and a parallel read-out circuit with a multi-channel analog to digital converter. Thus, a full-field and dynamic spectroscopic Stokes polarimetry without any rotating components could be developed. The validity of the proposed methods is demonstrated both numerically and experimentally. To the authors' knowledge, this could be the simplest optical arrangement in extracting the spectral Stokes parameters. Importantly, the latter one method avoids the need for rotating components within the optical system and therefore provides an experimentally straightforward means of extracting the dynamic spectral Stokes parameters.
Realization of a scalable coherent quantum Fourier transform
NASA Astrophysics Data System (ADS)
Debnath, Shantanu; Linke, Norbert; Figgatt, Caroline; Landsman, Kevin; Wright, Ken; Monroe, Chris
2016-05-01
The exponential speed-up in some quantum algorithms is a direct result of parallel function-evaluation paths that interfere through a quantum Fourier transform (QFT). We report the implementation of a fully coherent QFT on five trapped Yb+ atomic qubits using sequences of fundamental quantum logic gates. These modular gates can be used to program arbitrary sequences nearly independent of system size and distance between qubits. We use this capability to first perform a Deutsch-Jozsa algorithm where several instances of three-qubit balanced and constant functions are implemented and then examined using single qubit QFTs. Secondly, we apply a fully coherent five-qubit QFT as a part of a quantum phase estimation protocol. Here, the QFT operates on a five-qubit superposition state with a particular phase modulation of its coefficients and directly produces the corresponding phase to five-bit precision. Finally, we examine the performance of the QFT in the period finding problem in the context of Shor's factorization algorithm. This work is supported by the ARO with funding from the IARPA MQCO program and the AFOSR MURI on Quantum Measurement and Verification.
Remote detection of organics using Fourier transform infrared spectroscopy
Demirgian, J.C.; Spurgash, S.M.
1990-01-01
Fourier transform infrared (FTIR) spectroscopy is an ideal technique for remote detection of organic emissions. There is an atmospheric window in the 1200 to 800 cm{sup {minus}1} region, which corresponds to the fingerprint'' region for organic molecules. Virtually all organic molecules have a unique absorption/emission pattern in the fingerprint region. A remote-passive FTIR relies on ambient emission of infrared energy from organics to obtain spectra. The instrumentation consists of inlet optics, and interferometer, a mercury cadmium telluride (MCT) detector, and an on-board computer. The transportable unit measures 40 cm by 50 cm and has been used to collect data while mounted on a helicopter or ground vehicle. Through the use of this FTIR combined with least squares software, it is possible to analyze qualitatively and quantitatively for organic vapors from either the air or ground. The data presented will include quantitative releases of common organics present in incinerator stacks, hazardous wastes, and illegal laboratories. Data will be presented for pure compounds, mixtures, and target analytes in the presence of interfering compounds. The sensitivity, reproducibility, and the potential of the technique will be discussed. 1 ref., 8 figs., 6 tabs.
Liquid chromatography/Fourier transform IR spectrometry interface flow cell
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.
Fourier transform molecular rotational resonance spectroscopy for reprogrammable chemical sensing
NASA Astrophysics Data System (ADS)
Harris, Brent J.; Pulliam, Robin L.; Neill, Justin L.; Muckle, Matt T.; Reynolds, Roger; Pate, Brooks H.
2015-03-01
Molecular rotational resonance (MRR) spectroscopy gives spectral signatures with high chemical selectivity. At room temperature, the peak intensity of the MRR spectrum occurs in the 100 GHz - 1 THz frequency range for volatile species with mass <= 100 amu. Advances in high-power sub-mm-wave light sources has made it possible to implement time-domain Fourier transform (FT) spectroscopy techniques that are similar to FT nuclear magnetic resonance (FT-NMR) measurements. In these measurements, the gas sample is excited by a short (200 ns) excitation pulse that creates a macroscopic sample polarization. The electric field of the subsequent transient molecular emission is detected using a heterodyne receiver and a high-speed digitizer. FT-MRR spectroscopy offers speed and sensitivity improvements over absorption spectroscopy. For chemical analysis, FT-MRR spectrometers combine the benefits of broad chemical coverage typical of gas chromatography - mass spectrometry (GC-MS) instruments and the direct measurement capabilities of infrared gas sensors all in a reprogrammable platform. Pulse sequence measurements can be implemented for advanced spectroscopic analysis. Trace level quantitation of volatile species at ppbv concentration can be performed on the time scale of a minute. In cases where the sample is a complex mixture, a double-resonance pulse sequence can be used to achieve chemical selectivity even in cases where spectral overlap occurs. These measurement capabilities are illustrated using the application of FT-MRR spectroscopy to residual solvent analysis of pharmaceutical products.
Fourier transform optical profilometry using fiber optic Lloyd's mirrors.
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. PMID:25608057
Imaging Fourier Transform Spectro-polarimetry in the Infrared
NASA Astrophysics Data System (ADS)
Jurgenson, C. A.; Stencel, R. E.; Stout, J.
2004-12-01
Imaging spectro-polarimetry has the capability to trace polarization changes in dust grains throughout an extended region of interest. An instrument that has the capability to achieve moderately high resolution (R = 2000 at 10 microns) via a stepping Fourier transform spectrometer, while preserving imaging polarimetry capabilities (TNTCAM2, Jurgenson et al. 2003), is set to achieve first light during early 2005. Motion control of the interferometer, as well as array control/readout is accomplished via an FPGA card programmed in LabVIEW(c). Mid-IR polarization studies are useful in approximating grain shapes and sizes in dusty environments. Correlation studies between mid and near-IR features can be used to test the core-mantle arrangement of grain growth. Polarization analysis is currently only possible between 8-13 microns, but the interferometer, as well as TNTCAM2, can operate at selected bandpasses in the near-IR region. A wire grid and waveplate would need to be purchased for work in the near-IR. Laboratory calibration results, both spectral and polarization, are reported. We are seeking collaborators in shared-risk science with this instrument, so please contact the authors if interested. Sigma Xi Grants In Aid of Research as well as the estate of William Herschel Womble provided funding for this endeavor.
Fourier transform infrared spectroscopy (FTIR) of laser-irradiated cementum
NASA Astrophysics Data System (ADS)
Rechmann, Peter; White, Joel M.; Cecchini, Silvia C. M.; Hennig, Thomas
2003-06-01
Utilizing Fourier Transform Infrared Spectroscopy (FTIR) in specular reflectance mode chemical changes of root cement surfaces due to laser radiation were investigated. A total of 18 samples of root cement were analyzed, six served as controls. In this study laser energies were set to those known for removal of calculus or for disinfection of periodontal pockets. Major changes in organic as well as inorganic components of the cementum were observed following Nd:YAG laser irradiation (wavelength 1064 nm, pulse duration 250 μs, free running, pulse repetition rate 20 Hz, fiber diameter 320 μm, contact mode; Iskra Twinlight, Fontona, Slovenia). Er:YAG laser irradiation (wavelength 2.94 μm, pulse duration 250 μs, free running, pulse repetition rate 6 Hz, focus diameter 620 μm, air water cooling 30 ml/min; Iskra Twinlight, Fontona, Slovenia) significantly reduced the Amid bands due to changes in the organic components. After irradiation with a frequency doubled Alexandrite laser (wavelength 377 nm, pulse duration 200 ns, q-switched, pulse repetition rate 20 Hz, beam diameter 800 μm, contact mode, water cooling 30 ml/min; laboratory prototype) only minimal reductions in the peak intensity of the Amide-II band were detected.
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.
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.
Fourier transform infrared spectroscopy in physics laboratory courses
NASA Astrophysics Data System (ADS)
Möllmann, K.-P.; Vollmer, M.
2013-11-01
Infrared spectrometry is one of the most important tools in the field of spectroscopic analysis. This is due to the high information content of spectra in the so-called spectroscopic fingerprint region, which enables measurement not only of gases, but also of liquids and solids. Today, infrared spectroscopy is almost completely dominated by Fourier transform infrared (FTIR) spectroscopy. FTIR spectroscopy is able to detect minute quantities in the ppm and ppb ranges, and the respective analyses are now standard tools in science as well as industry. Therefore FTIR spectroscopy should be taught within the standard curriculum at university to physicists and engineers. Here we present respective undergraduate laboratory experiments designed for students at the end of their third year. Experiments deal first with understanding the spectrometer and second with recording and analysing spectra. On the one hand, transmission spectra of gases are treated which relate to environmental analytics (being probably the most prominent and well-known examples), and on the other hand, the focus is on the transmission and reflection spectra of solids. In particular, silicon wafers are studied—as is regularly done in the microelectronics industry—in order to characterize their thickness, oxygen content and phonon modes.
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).
The Green's function for the three-dimensional linear Boltzmann equation via Fourier transform
NASA Astrophysics Data System (ADS)
Machida, Manabu
2016-04-01
The linear Boltzmann equation with constant coefficients in the three-dimensional infinite space is revisited. It is known that the Green's function can be calculated via the Fourier transform in the case of isotropic scattering. In this paper, we show that the three-dimensional Green's function can be computed with the Fourier transform even in the case of arbitrary anisotropic scattering.
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…
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.
Black Silicon Formation in Cryogenic Reactive Ion Etching
NASA Astrophysics Data System (ADS)
Abi Saab, David; Basset, Philippe; Pierotti, Matthew J.; Trawick, Matthew L.; Angelescu, Dan E.
2015-03-01
We present both experimental data and computational modeling that explain some aspects of the formation of black silicon during cryogenic reactive ion etching (RIE) processes. We generate a phase diagram that predicts combinations of RIE parameters that lead to different black silicon geometries. We also show that the combination of needle- and hole-like features of various heights and depths in black silicon creates a uniquely smooth transition in refractive index that is responsible for the material's low optical reflectivity. These details are captured by our model and confirmed by focused ion beam (FIB) nanotomography and scanning electron microscopy of black silicon surfaces during various stages of development. The model also correctly describes dynamical characteristics such as the dependence of aspect ratio on process time, and the prediction of new etching fronts appearing at topographical saddle points.
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.
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.
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
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.
Systematic characterization of the Herschel SPIRE Fourier Transform Spectrometer
NASA Astrophysics Data System (ADS)
Hopwood, R.; Polehampton, E. T.; Valtchanov, I.; Swinyard, B. M.; Fulton, T.; Lu, N.; Marchili, N.; van der Wiel, M. H. D.; Benielli, D.; Imhof, P.; Baluteau, J.-P.; Pearson, C.; Clements, D. L.; Griffin, M. J.; Lim, T. L.; Makiwa, G.; Naylor, D. A.; Noble, G.; Puga, E.; Spencer, L. D.
2015-05-01
A systematic programme of calibration observations was carried out to monitor the performance of the Spectral and Photometric Imaging REceiver (SPIRE) Fourier Transform Spectrometer (FTS) instrument on board the Herschel Space Observatory. Observations of planets (including the prime point-source calibrator, Uranus), asteroids, line sources, dark sky and cross-calibration sources were made in order to monitor repeatability and sensitivity, and to improve FTS calibration. We present a complete analysis of the full set of calibration observations and use them to assess the performance of the FTS. Particular care is taken to understand and separate out the effect of pointing uncertainties, including the position of the internal beam steering mirror for sparse observations in the early part of the mission. The repeatability of spectral-line centre positions is <5 km s-1, for lines with signal-to-noise ratios >40, corresponding to <0.5-2.0 per cent of a resolution element. For spectral-line flux, the repeatability is better than 6 per cent, which improves to 1-2 per cent for spectra corrected for pointing offsets. The continuum repeatability is 4.4 per cent for the SPIRE Long Wavelength spectrometer (SLW) band and 13.6 per cent for the SPIRE Short Wavelength spectrometer (SSW) band, which reduces to ˜1 per cent once the data have been corrected for pointing offsets. Observations of dark sky were used to assess the sensitivity and the systematic offset in the continuum, both of which were found to be consistent across the FTS-detector arrays. The average point-source calibrated sensitivity for the centre detectors is 0.20 and 0.21 Jy [1σ; 1 h], for SLW and SSW. The average continuum offset is 0.40 Jy for the SLW band and 0.28 Jy for the SSW band.
Fractal surface synthesis based on two dimensional discrete Fourier transform
NASA Astrophysics Data System (ADS)
Zhou, Chao; Gao, Chenghui; Huang, Jianmeng
2013-11-01
The discrete Fourier transform(DFT) is used for fractional Brownian motion(FBM) surface synthesis in tribology(i.e., contact, sliding, and sealing, etc). However, the relationship between fractal parameters(fractal dimension and scale factor) and traditional parameters, the influence of fractal parameters on surface appearance, have not been deeply discussed yet. These lead to some kind of difficulty to ensure the synthesized surfaces with ideal fractal characteristic, required traditional parameters and geometric appearance. A quantitative relationship between fractal parameters and the root mean square deviation of surface ( Sq) is derived based on the energy conservation property between the space and frequency domain of DFT. Under the stability assumption, the power spectrum of a FBM surface is composed of concentric circles strictly, a series of FBM surfaces with prescribed Sq could be synthesized with given fractal dimension, scale factor, and sampling numbers, but the ten-point height( Sz), the skewness( Ssk) and the kurtosis( Sku) are still in random, where the probability distributions of Sz and Ssk are approximately normal distribution. Furthermore, by iterative searching, a surface with desired Abbott-Firestone curve could be obtained among those surfaces. An intuitive explanation for the influence of fractal dimension and scale factor on surface appearance is obtained by discussing the effects on the ratio of energy between high and low frequency components. Based on the relationship between Sq and surface energy, a filtering method of surface with controllable Sq is proposed. The proposed research ensures the synthesized surfaces possess ideal FBM properties with prescribed Sq, offers a method for selecting desired Abbott-Firestone curve of synthesized fractal surfaces, and makes it possible to control the Sq of surfaces after filtering.
Multiresolution graph Fourier transform for compression of piecewise smooth images.
Hu, Wei; Cheung, Gene; Ortega, Antonio; Au, Oscar C
2015-01-01
Piecewise smooth (PWS) images (e.g., depth maps or animation images) contain unique signal characteristics such as sharp object boundaries and slowly varying interior surfaces. Leveraging on recent advances in graph signal processing, in this paper, we propose to compress the PWS images using suitable graph Fourier transforms (GFTs) to minimize the total signal representation cost of each pixel block, considering both the sparsity of the signal's transform coefficients and the compactness of transform description. Unlike fixed transforms, such as the discrete cosine transform, we can adapt GFT to a particular class of pixel blocks. In particular, we select one among a defined search space of GFTs to minimize total representation cost via our proposed algorithms, leveraging on graph optimization techniques, such as spectral clustering and minimum graph cuts. Furthermore, for practical implementation of GFT, we introduce two techniques to reduce computation complexity. First, at the encoder, we low-pass filter and downsample a high-resolution (HR) pixel block to obtain a low-resolution (LR) one, so that a LR-GFT can be employed. At the decoder, upsampling and interpolation are performed adaptively along HR boundaries coded using arithmetic edge coding, so that sharp object boundaries can be well preserved. Second, instead of computing GFT from a graph in real-time via eigen-decomposition, the most popular LR-GFTs are pre-computed and stored in a table for lookup during encoding and decoding. Using depth maps and computer-graphics images as examples of the PWS images, experimental results show that our proposed multiresolution-GFT scheme outperforms H.264 intra by 6.8 dB on average in peak signal-to-noise ratio at the same bit rate. PMID:25494508
[Biological Process Oriented Online Fourier Transform Infrared Spectrometer].
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
Dual Comb Fourier Transform Spectroscopy in the Green Region
NASA Astrophysics Data System (ADS)
Knize, R. J.; Bernhardt, B.; Picqué, N.; Hänsch, T. W.
2010-06-01
Laser combs in combination with other advancing tools of laser science, nonlinear optics, photonics, and electronic signal processing have the potential to vastly enhance the range and capabilities of molecular laser spectroscopy. The high versatility of frequency comb sources can indeed harness new techniques for ultra-rapid and ultra-sensitive recording of complex molecular spectra. The recent proof-of-principle demonstrations of dual comb Fourier transform spectroscopy have mostly been carried out in the near-infrared region, around 1.0 and 1.5 μm. The mode-locked ytterbium- or erbium-doped fiber femtosecond laser systems emitting in this range indeed require few adjustment thanks to their guided light and permit reliable unattended operation. With expanded wavelength coverage and continued improvements in speed and sensitivity, dual comb spectroscopy should find use as a novel, time-domain spectroscopic analytical tool. As far as molecular spectroscopy is concerned, the mid-infrared and visible-ultraviolet wavelength regions show both the potential for specificity and sensitivity for tracing molecules. In particular, the visible-ultraviolet region complements the mid-infrared molecular fingerprint range, as it provides access to many electronic transitions, in particular belonging to reactive species. In this contribution, we report on our progress in the implementation of dual comb spectroscopy in the 520 nm green region. We present preliminary results on a powerful new sensitive ultra-rapid tool for linear rovibronic absorption spectroscopy, based on frequency-doubled ytterbium-doped fiber lasers and we discuss its intriguing prospects for spectroscopy of short lived transient species.
[Using Fourier transform to calculate gas concentration in DOAS].
Liu, Qian-lin; Wang, Li-shi; Huang, Xin-jian; Wu, Yan-dan; Xiao, Ming-wei
2008-12-01
Being an analysis tool of high sensitivity, high resolution, multicomponents, real-time and fast monitoring, the differential optical absorption spectrometry (DOAS) is becoming a new method in atmosphere pollution monitoring. In the DOAS technique, many gases spectra have periodicity evidently, such as those from SO2, NO, NH3 and NO2. Aiming at three kinds of main air-polluted gases, i.e., SO2, NO and NO2 in atmosphere, the DOAS technique is used to monitor them, and Fourier transform is used to analyse the above-mentioned absorption spectra. Under the condition of Hanning Windows, Fourier transforma is used to process various gases spectra which have periodicity. In the process, the value of the characteristic frequency has a linearity relation to the gas concentration. So a new analysis method of DOAS is proposed, which is utilizing the relation between the value of the characteristic frequency and the gas concentration to deduce a linearity formula to calculate the gas concentration. So the value of the characteristic frequency can be used to get the gas concentration. For the gases with evident spectrum periodicity, such as SO2 and NO, this method is good. But for some gases with periodicity not evident, the error in the calculated concentration is beyond the allowable value. So in this method, the important process is frequency separation. It is also the main part in the future study. In a word, this method frees itself from the basic theory in the DOAS technique, cuts down on the process of the concentration calculation and the spectral analysis, and deserves further study. PMID:19248493
Matrix-assisted laser desorption fourier transform mass spectrometry for biological compounds
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.
Cryogenic Linear Ion Trap for Large-Scale Quantum Simulations
NASA Astrophysics Data System (ADS)
Pagano, Guido; Hess, Paul; Kaplan, Harvey; Birckelbaw, Eric; Hernanez, Micah; Lee, Aaron; Smith, Jake; Zhang, Jiehang; Monroe, Christopher
2016-05-01
Ions confined in RF Paul traps are a useful tool for quantum simulation of long-range spin-spin interaction models. As the system size increases, classical simulation methods become incapable of modeling the exponentially growing Hilbert space, necessitating quantum simulation for precise predictions. Current experiments are limited to less than 30 qubits due to collisions with background gas that regularly destroys the ion crystal. We present progress toward the construction of a cryogenic ion trap apparatus, which uses differential cryopumping to reduce vacuum pressure to a level where collisions do not occur. This should allow robust trapping of about 100 ions/qubits in a single chain with long lifetimes. Such a long chain will provide a platform to investigate simultaneously cooling of various vibrational modes and will enable quantum simulations that outperform their classical counterpart. Our apparatus will provide a powerful test-bed to investigate a large variety of Hamiltonians, including spin 1 and spin 1/2 systems with Ising or XY interactions. This work is supported by the ARO Atomic Physics Program, the AFOSR MURI on Quantum Measurement and Verification, the IC Fellowship Program and the NSF Physics Frontier Center at JQI.
Cryogenic Linear Ion Trap for Large-Scale Quantum Simulations
NASA Astrophysics Data System (ADS)
Kaplan, H. B.; Hess, P. W.; Pagano, G.; Birckelbaw, E. J.; Hernandez, M.; Lee, A. C.; Smith, J.; Zhang, J.; Monroe, C.
2016-05-01
Ions confined in RF Paul traps are a useful tool for quantum simulation of long-range spin-spin interaction models. As the system size increases, classical simulation methods become incapable of modeling the exponentially growing Hilbert space, necessitating quantum simulation for precise predictions. Current experiments are limited to less than 30 qubits due to collisions with background gas that regularly destroys the ion crystal. We present progress toward the construction of a cryogenic ion trap apparatus, which uses differential cryopumping to reduce vacuum pressure to a level where collisions do not occur. This should allow robust trapping of about 100 ions/qubits in a single chain with long lifetimes. Such a long chain will provide a platform to investigate simultaneously cooling of various vibrational modes and will enable quantum simulations that outperform their classical counterpart. Our apparatus will provide a powerful test-bed to investigate a large variety of Hamiltonians, including spin 1 and spin 1/2 systems with Ising or XY interactions. This work is supported by the ARO Atomic Physics Program, the AFOSR MURI on Quantum Measurement and Verification, and the NSF Physics Frontier Center at JQI.
A Super-Imaging Fourier Transform Spectrometer for the VLT
NASA Astrophysics Data System (ADS)
Maillard, Jean-Pierre; Bacon, Roland
A cryogenic, near-infrared (Hawaii2 domain) imaging FTS is proposed for a Nasmyth focus of an 8-m VLT, as a unique solution for providing integral field spectroscopy at high spectral resolution (R = 50,000 at 2 μm) over a large field, up to 3 x 3 arcmin FOV. Another mode is proposed behind AO with a smaller field but preserving high spectral resolution.
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
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
Rapid Bacterial Identification Using Fourier Transform Infrared Spectroscopy
Valentine, Nancy B.; Johnson, Timothy J.; Su, Yin-Fong; Forrester, Joel B.
2007-02-01
Recent studies at Pacific Northwest National Laboratory (PNNL) using infrared spectroscopy combined with statistical analysis have shown the ability to identify and discriminate vegetative bacteria, bacterial spores and background interferents from one another. Since the anthrax releases in 2001, rapid identification of unknown powders has become a necessity. Bacterial endospores are formed by some Bacillus species as a result of the vegetative bacteria undergoing environmental stress, e.g. a lack of nutrients. Endospores are formed as a survival mechanism and are extremely resistant to heat, cold, sunlight and some chemicals. They become airborne easily and are thus readily dispersed which was demonstrated in the Hart building. Fourier Transform Infrared (FTIR) spectroscopy is one of several rapid analytical methods used for bacterial endospore identification. The most common means of bacterial identification is culturing, but this is a time-consuming process, taking hours to days. It is difficult to rapidly identify potentially harmful bacterial agents in a highly reproducible way. Various analytical methods, including FTIR, Raman, photoacoustic FTIR and Matrix Assisted Laser Desorption/Ionization (MALDI) have been used to identify vegetative bacteria and bacterial endospores. Each has shown certain areas of promise, but each has shortcomings in terms of sensitivity, measurement time or portability. IR spectroscopy has been successfully used to distinguish between the sporulated and vegetative state. [1,2] It has also shown its utility at distinguishing between the spores of different species. [2-4] There are several Bacillus species that occur commonly in nature, so it is important to be able to distinguish between the many different species versus those that present an imminent health threat. The spectra of the different sporulated species are all quite similar, though there are some subtle yet reproducible spectroscopic differences. Thus, a more robust and
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
NASA Technical Reports Server (NTRS)
Traub, W. A.; Chance, K. V.; Brasunas, J. C.; Vrtilek, J. M.; Carleton, N. P.
1982-01-01
The design and use of an infrared Fourier transform spectrometer which has been used for observations of laboratory, stratospheric, and astronomical spectra are described. The spectrometer has a spectral resolution of 0.032/cm and has operated in the mid-infrared (12 to 13 microns) as well as the far-infrared (40 to 140 microns), using both bolometer and photoconductor cryogenic detectors. The spectrometer is optically sized to accept an f/9 beam from the multi-mirror telescope (MMT). The optical and electronic design are discussed, including remote operation of the spectrometer on a balloon-borne 102-cm telescope. The performance of the laser-controlled, screw-driven moving cat's-eye mirror is discussed. Segments of typical far-infrared balloon flight spectra, lab spectra, and mid-infrared MMT spectra are presented. Data reduction, interferogram processing, artifact removal, wavelength calibration, and intensity calibration methods are discussed. Future use of the spectrometer is outlined.
Cryogenic Ion Vibrational Spectroscopy of - CH Activation Intermediates
NASA Astrophysics Data System (ADS)
Marsh, Brett; Garand, Etienne
2013-06-01
Despite the rather simple composition of alkanes the strength of their C-C and C-H bonds has made controlled, selective reaction of these compounds an unrealized goal of synthetic chemistry. The field was pioneered by Shilov and coworkers in 1969 when they observed the exchange of H and D in methane that was bubbled into an acidic solution of K_2PtCl_4. The Shilov reaction has since been extended to induce oxidation of methane selectively to methanol and has become the standard bearer of CH activation despite its limitations. The mechanism for the reaction, while inferred from kinetics studies, is still largely uncharacterized. Here, we present our work towards applying cryogenic ion vibrational spectroscopy (CIVS) to capture the intermediate species of this reaction with a focus on the σ-CH adduct formed between methane and Pt(II) complexes that is believed to be crucial to the selectivity and rate of this reaction.
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.
Infrared Fourier transform spectroscopy of C-13 methanol
NASA Astrophysics Data System (ADS)
Predoi-Cross, Adriana
This work is a high-resolution Fourier transform infrared study of three vibrational states of C-13 methanol. We have investigated the regions from 1000-1400 cm-1 at 0.002 cm-1 resolution and from 1850-1950 cm-1 at 0.0028 cm-1 resolution. The vibrational modes covered by this study are: the CH3-Rocking band, the OH-Bending band and the first CO-Stretch overtone band. This study has led to (i) determination of excited-state molecular constants, (ii) characterization of a variety of interactions coupling the different vibrational modes, and (iii) identification of a number of reported far-infrared (FIR) lasing transitions and the prediction of new FIR laser emissions. The weak CH3-Rocking band is found to have principally a parallel character and has a double-peaked Q-branch and widely spread sub-bands due to a 28% increase in the torsional barrier height as compared to the ground state. We have assigned thirty ground torsional sub-bands and about ten sub-bands for the first excited torsional state. These sub-bands have been fitted to J(J+1) power-series expansions to obtain the sub- band origins and state-specific expansion parameters. The asymmetry splitting coefficients have also been determined. In our spectrum we have observed the effects of Coriolis coupling between rocking (K - 1) and CO- Stretching K levels for K values from 6 to 10. Other interesting interactions encountered are J-localized perturbations due to level crossing resonances with the CO-Stretch state. Two far-infrared laser emissions reported for the 10R(26) CO2 pump system are the result of a ΔK = 3 interaction. The OH-Bending band is widely spread with Q-subbranches grouped in two peaks at about 1312 cm-1 and 1338 cm-1. The OH-Bending state strongly interacts with the first excited torsional CH3-Rocking state and we have observed several 'extra' forbidden sub-bands arising from intensity borrowing from the allowed interacting sub-bands. The asymmetry splitting of the K = 2 doublet was found to
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
Entanglement of periodic states, the quantum Fourier transform, and Shor's factoring algorithm
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.
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)
A commercial Fourier transform infrared (FTIR) spectrometer, modified for automated analysis of particulate-associated sulfate, was used to obtain transmission spectra samples of particulate matter collected from the ambient air onto Teflon filters. n evaluation of this instrumen...
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).
This project explored the feasibility of developing new techniques for evaluation of the effects of environmental toxic materials on complex biopolymer systems using high sensitivity Fourier transform nuclear magnetic resonance (nmr) spectroscopy. Commercial instrumentation avail...
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...
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)
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.
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,...
A new hybrid algorithm for computing a fast discrete Fourier transform
NASA Technical Reports Server (NTRS)
Reed, I. S.; Truong, T. K.
1979-01-01
In this paper for certain long transform lengths, Winograd's algorithm for computing the discrete Fourier transform (DFT) is extended considerably. This is accomplished by performing the cyclic convolution, required by Winograd's method, with the Mersenne prime number-theoretic transform developed originally by Rader. This new algorithm requires fewer multiplications than either the standard fast Fourier transform (FFT) or Winograd's more conventional algorithm. However, more additions are required.
Far-field radiation patterns of aperture antennas by the Winograd Fourier transform algorithm
NASA Technical Reports Server (NTRS)
Heisler, R.
1978-01-01
A more time-efficient algorithm for computing the discrete Fourier transform, the Winograd Fourier transform (WFT), is described. The WFT algorithm is compared with other transform algorithms. Results indicate that the WFT algorithm in antenna analysis appears to be a very successful application. Significant savings in cpu time will improve the computer turn around time and circumvent the need to resort to weekend runs.
Pisani, Marco; Zucco, Massimo
2009-05-11
An imaging spectrometer based on a Fabry-Perot interferometer is presented. The Fabry-Perot interferometer scans the mirror distance up to contact and the intensity modulated light signal is transformed using a Fourier Transform based algorithm, as the Michelson based Fourier Transform Spectrometers does. The resulting instrument has the advantage of a compact, high numerical aperture, high luminosity hyperspectral imaging device. Theory of operation is described along with one experimental realization and preliminary results. PMID:19434165
Gasoline analysis and brand identification using a static Fourier-transform ultraviolet spectrometer
NASA Astrophysics Data System (ADS)
Steers, Darren; Gerrard, Carl; Hirst, Bill; Sibbett, Wilson; Padgett, Miles J.
1999-11-01
The ultraviolet (UV) absorption spectra of several gasoline samples are measured using a compact static Fourier-transform (FT) spectrometer. The FT-UV spectrometer is constructed from crystalline quartz Wollaston prisms and polarizers fabricated from beta barium borate to form an interferogram in the spatial domain. The interferogram is recorded with a UV-sensitive detector array and Fourier transformed to yield spectra. Investigation using principal component analysis enables the identification of important gasoline properties such as origin.
Using nonequispaced fast Fourier transformation to process optical coherence tomography signals
NASA Astrophysics Data System (ADS)
Hillmann, Dierck; Hüttmann, Gereon; Koch, Peter
2009-07-01
In OCT imaging the spectra that are used for Fourier transformation are in general not acquired linearly in k-space. Therefore one needs to apply an algorithm to re-sample the data and finally do the Fourier Transformation to gain depth information. We compare three algorithms (Non-Equispaced DFT, interpolated FFT and Non-Equispaced FFT) for this purpose in terms of speed and accuracy. The optimal algorithm depends on the OCT device (speed, SNR) and the object.
Cryogenic molecular separation system for radioactive 11C ion acceleration
NASA Astrophysics Data System (ADS)
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 11C 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 11C ion beams. In the ISOL system, 11CH4 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 12CH4 gases, which can simulate the chemical characteristics of 11CH4 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.
NASA Technical Reports Server (NTRS)
Ma, Q.; Tipping, R. H.; Lavrentieva, N. N.
2012-01-01
By adopting a concept from signal processing, instead of starting from the correlation functions which are even, one considers the causal correlation functions whose Fourier transforms become complex. Their real and imaginary parts multiplied by 2 are the Fourier transforms of the original correlations and the subsequent Hilbert transforms, respectively. Thus, by taking this step one can complete the two previously needed transforms. However, to obviate performing the Cauchy principal integrations required in the Hilbert transforms is the greatest advantage. Meanwhile, because the causal correlations are well-bounded within the time domain and band limited in the frequency domain, one can replace their Fourier transforms by the discrete Fourier transforms and the latter can be carried out with the FFT algorithm. This replacement is justified by sampling theory because the Fourier transforms can be derived from the discrete Fourier transforms with the Nyquis rate without any distortions. We apply this method in calculating pressure induced shifts of H2O lines and obtain more reliable values. By comparing the calculated shifts with those in HITRAN 2008 and by screening both of them with the pair identity and the smooth variation rules, one can conclude many of shift values in HITRAN are not correct.
Nonlinear Fourier transformation spectroscopy of small molecules with intense attosecond pulse train
NASA Astrophysics Data System (ADS)
Okino, T.; Furukawa, Y.; Shimizu, T.; Nabekawa, Y.; Yamanouchi, K.; Midorikawa, K.
2014-06-01
We have developed an attosecond nonlinear molecular spectroscopic method called nonlinear Fourier transformation spectroscopy (NFTS) that uses an intense attosecond pulse train (APT) to induce multiphoton ionization processes. In the NFTS method, in addition to characterization of the temporal profile of attosecond pulses, the nonlinear molecular responses are encoded in the interferometric autocorrelation traces depending on the molecular species, their fragment ions and their kinetic energy distributions. The principle and applicability of the NFTS method are described in this paper along with the numerical simulations. The method is applied to diatomic molecules (N2 , D2 and O2) and polyatomic molecules (CO2, CH4 and SF6). Our results highlight the fact that nonlinear spectroscopic information of molecules in the short wavelength region can be obtained through the irradiation of intense APT by taking advantage of the broad spectral bandwidth of attosecond pulses. The development of the nonlinear spectroscopic method in attoseconds is expected to pave the way to investigate the ultrafast intramolecular electron motion such as ultrafast charge migration and electron correlation.
Howard, John
2002-01-01
A new electro-optically modulated optical solid-state (MOSS) interferometer has been constructed for measurement of quantities related to the low-order spectral moments of line emission from optically thin radiant media such as plasmas. When Doppler broadening is dominant, the spectral moments give the Radon transform of corresponding moments of the velocity distribution function of the radiating species. The instrument, which is based on the principle of the Fourier-transform spectrometer, has high etendue and is rugged and compact. When electro-optical path-length modulation techniques are employed, the spectral information is encoded in the temporal frequency domain at harmonics of the modulation frequency and can be obtained by use of a single photodetector. Specifically, for a plasma in drifting local thermodynamic equilibrium the zeroth moment (brightness) is given by the average signal level, the first moment (shift) by the interferometric phase, and the second moment (linewidth) by the fringe visibility. To illustrate the MOSS performance, I present spectroscopic measurements of the time evolution of the plasma ion temperature and flow velocity for rf-heated discharges in the H-1 heliac, a toroidal plasma magnetic confinement at the Australian National University. PMID:11900436
Cryogenic Ion Mobility-Mass Spectrometry: Tracking Ion Structure from Solution to the Gas Phase.
Servage, Kelly A; Silveira, Joshua A; Fort, Kyle L; Russell, David H
2016-07-19
Electrospray ionization (ESI) combined with ion mobility-mass spectrometry (IM-MS) is adding new dimensions, that is, structure and dynamics, to the field of biological mass spectrometry. There is increasing evidence that gas-phase ions produced by ESI can closely resemble their solution-phase structures, but correlating these structures can be complicated owing to the number of competing effects contributing to structural preferences, including both inter- and intramolecular interactions. Ions encounter unique hydration environments during the transition from solution to the gas phase that will likely affect their structure(s), but many of these structural changes will go undetected because ESI-IM-MS analysis is typically performed on solvent-free ions. Cryogenic ion mobility-mass spectrometry (cryo-IM-MS) takes advantage of the freeze-drying capabilities of ESI and a cryogenically cooled IM drift cell (80 K) to preserve extensively solvated ions of the type [M + xH](x+)(H2O)n, where n can vary from zero to several hundred. This affords an experimental approach for tracking the structural evolution of hydrated biomolecules en route to forming solvent-free gas-phase ions. The studies highlighted in this Account illustrate the varying extent to which dehydration can alter ion structure and the overall impact of cryo-IM-MS on structural studies of hydrated biomolecules. Studies of small ions, including protonated water clusters and alkyl diammonium cations, reveal structural transitions associated with the development of the H-bond network of water molecules surrounding the charge carrier(s). For peptide ions, results show that water networks are highly dependent on the charge-carrying species within the cluster. Specifically, hydrated peptide ions containing lysine display specific hydration behavior around the ammonium ion, that is, magic number clusters with enhanced stability, whereas peptides containing arginine do not display specific hydration around the
Fuzzy Logic Classification of Imaging Laser Desorption Fourier Transform Mass Spectrometry Data
Timothy R. McJunkin; Jill R. Scott
2008-06-01
The fuzzy logic method is applied to classification of mass spectra obtained with an imaging internal source Fourier transform mass spectrometer (I2LD-FTMS). Traditionally, an operator uses the relative abundance of ions with specific mass-to-charge (m/z) ratios to categorize spectra. An operator does this by comparing the spectrum of m/z versus abundance of an unknown sample against a library of spectra from known samples. Automated positioning and acquisition allow the I2LD-FTMS to acquire data from very large grids, which would require classification of up to 3600 spectra per hour to keep pace with the acquisition. The tedious job of classifying numerous spectra generated in an I2LD-FTMS imaging application can be replaced by a fuzzy rule base if the cues an operator uses can be encapsulated. Appropriate methods for assigning fuzzy membership values for inputs (e.g., mass spectrum abundances) and choice of fuzzy inference operators to translate linguistic antecedent into confidence values for the consequence (or in this case the classification) is followed by using the maximum confidence and a necessary minimum threshold for making a crisp decision. This paper also describes a method for gathering statistics on ions, which are not currently used in the rule base, but which may be candidates for making the rule base more accurate and complete or to form new rule bases based on data obtained from known samples. A spatial method for classifying spectra with low membership values, based on neighboring sample classifications, is also presented.
NASA Technical Reports Server (NTRS)
Munoz, R. M. (Inventor)
1974-01-01
An input analog signal to be frequency analyzed is separated into N number of simultaneous analog signal components each identical to the original but delayed relative to the original by a successively larger time delay. The separated and delayed analog components are combined together in a suitable number of adders and attenuators in accordance with at least one component product of the continuous Fourier transform and analog signal matrices to separate the analog input signal into at least one of its continuous analog frequency components of bandwidth 1/N times the bandwidth of the original input signal. The original analog input signal can be reconstituted by combining the separate analog frequency components in accordance with the component products of the continuous Fourier transform and analog frequency component matrices. The continuous Fourier transformation is useful for spectrum analysis, filtering, transfer function synthesis, and communications.
Luo, David; Kudenov, Michael W
2016-05-16
Systematic phase errors in Fourier transform spectroscopy can severely degrade the calculated spectra. Compensation of these errors is typically accomplished using post-processing techniques, such as Fourier deconvolution, linear unmixing, or iterative solvers. This results in increased computational complexity when reconstructing and calibrating many parallel interference patterns. In this paper, we describe a new method of calibrating a Fourier transform spectrometer based on the use of artificial neural networks (ANNs). In this way, it is demonstrated that a simpler and more straightforward reconstruction process can be achieved at the cost of additional calibration equipment. To this end, we provide a theoretical model for general systematic phase errors in a polarization birefringent interferometer. This is followed by a discussion of our experimental setup and a demonstration of our technique, as applied to data with and without phase error. The technique's utility is then supported by comparison to alternative reconstruction techniques using fast Fourier transforms (FFTs) and linear unmixing. PMID:27409947
System design of Fourier transform imaging spectrometer using tunable lateral shearing splitter
NASA Astrophysics Data System (ADS)
Meng, Xin; Li, Jianxin; Bai, Caixun; Zhu, Rihong
2015-04-01
The Fourier transform spectrometer without slit has the advantages of high radiation throughput and high spatial resolution. It can be used for detecting more details of the spectral and spatial information. We present the initial structure of the collimator and objective based on the analysis of the principle of the Fourier transform spectrometer. Then the collimator and objective are optimized by Zemax. The MTF of the cut-off frequency is great than 0.7. The tunable lateral shearing splitter is used as the interferometer, which makes the system more compact compared with the system using Sagnac lateral shearing splitter. The method to calculate the geometric dimension of the splitter is presented. Then the complete Fourier transform spectrometer is designed. The MTF of the cut-off frequency is great than 0.6. And the largest RMS of the spot is less than 6μm.
Meng, Xin; Li, Jianxin; Song, Huaqing; Zhu, Rihong
2014-08-20
A Fourier-transform imaging spectropolarimeter is presented and demonstrated. It is composed of a time-division polarization modulator and a high radiation throughput Fourier-transform spectrometer. Four polarization states of the input light are generated by rotating the retarder. Then, the polarized light enters the Fourier-transform spectrometer to create four sets of interferometric images, where we can recover four polarization spectra and calculate the full-Stokes vector in various wavenumber frequency. The method has good performance to resist instrument noise and has the advantage of high spatial resolution. The laboratory setup is described and the noise source is analyzed. Two proven experiments have been carried out in visible light. PMID:25321096
Forecasting performance of denoising signal by Wavelet and Fourier Transforms using SARIMA model
NASA Astrophysics Data System (ADS)
Ismail, Mohd Tahir; Mamat, Siti Salwana; Hamzah, Firdaus Mohamad; Karim, Samsul Ariffin Abdul
2014-07-01
The goal of this research is to determine the forecasting performance of denoising signal. Monthly rainfall and monthly number of raindays with duration of 20 years (1990-2009) from Bayan Lepas station are utilized as the case study. The Fast Fourier Transform (FFT) and Wavelet Transform (WT) are used in this research to find the denoise signal. The denoise data obtained by Fast Fourier Transform and Wavelet Transform are being analyze by seasonal ARIMA model. The best fitted model is determined by the minimum value of MSE. The result indicates that Wavelet Transform is an effective method in denoising the monthly rainfall and number of rain days signals compared to Fast Fourier Transform.
Herz spaces and restricted summability of Fourier transforms and Fourier series
NASA Astrophysics Data System (ADS)
Weisz, Ferenc
2008-08-01
A general summability method, the so-called [theta]-summability is considered for multi-dimensional Fourier transforms and Fourier series. A new inequality for the Hardy-Littlewood maximal function is verified. It is proved that if the Fourier transform of [theta] is in a Herz space, then the restricted maximal operator of the [theta]-means of a distribution is of weak type (1,1), provided that the supremum in the maximal operator is taken over a cone-like set. From this it follows that over a cone-like set a.e. for all . Moreover, converges to f(x) over a cone-like set at each Lebesgue point of if and only if the Fourier transform of [theta] is in a suitable Herz space. These theorems are extended to Wiener amalgam spaces as well. The Riesz and Weierstrass summations are investigated as special cases of the [theta]-summation.
Building a symbolic computer algebra toolbox to compute 2D Fourier transforms in polar coordinates.
Dovlo, Edem; Baddour, Natalie
2015-01-01
The development of a symbolic computer algebra toolbox for the computation of two dimensional (2D) Fourier transforms in polar coordinates is presented. Multidimensional Fourier transforms are widely used in image processing, tomographic reconstructions and in fact any application that requires a multidimensional convolution. By examining a function in the frequency domain, additional information and insights may be obtained. The advantages of our method include: •The implementation of the 2D Fourier transform in polar coordinates within the toolbox via the combination of two significantly simpler transforms.•The modular approach along with the idea of lookup tables implemented help avoid the issue of indeterminate results which may occur when attempting to directly evaluate the transform.•The concept also helps prevent unnecessary computation of already known transforms thereby saving memory and processing time. PMID:26150988
Periodic artifact reduction in Fourier transforms of full field atomic resolution images.
Hovden, Robert; Jiang, Yi; Xin, Huolin L; Kourkoutis, Lena F
2015-04-01
The discrete Fourier transform is among the most routine tools used in high-resolution scanning/transmission electron microscopy (S/TEM). However, when calculating a Fourier transform, periodic boundary conditions are imposed and sharp discontinuities between the edges of an image cause a cross patterned artifact along the reciprocal space axes. This artifact can interfere with the analysis of reciprocal lattice peaks of an atomic resolution image. Here we demonstrate that the recently developed Periodic Plus Smooth Decomposition technique provides a simple, efficient method for reliable removal of artifacts caused by edge discontinuities. In this method, edge artifacts are reduced by subtracting a smooth background that solves Poisson's equation with boundary conditions set by the image's edges. Unlike the traditional windowed Fourier transforms, Periodic Plus Smooth Decomposition maintains sharp reciprocal lattice peaks from the image's entire field of view. PMID:25597865
Atomic Gaussian type orbitals and their Fourier transforms via the Rayleigh expansion
NASA Astrophysics Data System (ADS)
Yükçü, Niyazi
2016-03-01
Gaussian type orbitals (GTOs), which are one of the types of exponential type orbitals (ETOs), are used usually as basis functions in the multi-center atomic and molecular integrals to better understand physical and chemical properties of matter. In the Fourier transform method (FTM), basis functions have not simplicity to make mathematical operations, but their Fourier transforms are easier to use. In this work, with the help of FTM, Rayleigh expansion and some properties of unnormalized GTOs, we present new mathematical results for the Fourier transform of GTOs in terms of Laguerre polynomials, hypergeometric and Whittaker functions. Physical and analytical properties of GTOs are discussed and some numerical results have been given in a table. Finally, we compare our mathematical results with the other known literature results by using a computer program and details of evaluation are presented.
Application and sensitivity investigation of Fourier transforms for microwave radiometric inversions
NASA Technical Reports Server (NTRS)
Holmes, J. J.; Balanis, C. A.
1974-01-01
Existing microwave radiometer technology now provides a suitable method for remote determination of the ocean surface's absolute brightness temperature. To extract the brightness temperature of the water from the antenna temperature equation, an unstable Fredholm integral equation of the first kind was solved. Fast Fourier Transform techniques were used to invert the integral after it is placed into a cross-correlation form. Application and verification of the methods to a two-dimensional modeling of a laboratory wave tank system were included. The instability of the Fredholm equation was then demonstrated and a restoration procedure was included which smooths the resulting oscillations. With the recent availability and advances of Fast Fourier Transform techniques, the method presented becomes very attractive in the evaluation of large quantities of data. Actual radiometric measurements of sea water are inverted using the restoration method, incorporating the advantages of the Fast Fourier Transform algorithm for computations.
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.
NASA Technical Reports Server (NTRS)
Wu, Yen-Hung; Key, Richard; Sander, Stanley; Blavier, Jean-Francois; Rider, David
2011-01-01
This paper summarizes the design and development of the Panchromatic Imaging Fourier Transform Spectrometer (PanFTS) for the NASA Geostationary Coastal and Air Pollution Events (GEO-CAPE) Mission. The PanFTS instrument will advance the understanding of the global climate and atmospheric chemistry by measuring spectrally resolved outgoing thermal and reflected solar radiation. With continuous spectral coverage from the near-ultraviolet through the thermal infrared, this instrument is designed to measure pollutants, greenhouse gases, and aerosols as called for by the U.S. National Research Council Decadal Survey; Earth Science and Applications from Space: National Imperatives for the Next Decade and Beyond1. The PanFTS instrument is a hybrid instrument based on spectrometers like the Tropospheric Emissions Spectrometer (TES) that measures thermal emission, and those like the Orbiting Carbon Observatory (OCO), and the Ozone Monitoring Instrument (OMI) that measure scattered solar radiation. Simultaneous measurements over the broad spectral range from IR to UV is accomplished by a two sided interferometer with separate optical trains and detectors for the ultraviolet-visible and infrared spectral domains. This allows each side of the instrument to be independently optimized for its respective spectral domain. The overall interferometer design is compact because the two sides share a single high precision cryogenic optical path difference mechanism (OPDM) and metrology laser as well as a number of other instrument systems including the line-of-sight pointing mirror, the data management system, thermal control system, electrical system, and the mechanical structure. The PanFTS breadboard instrument has been tested in the laboratory and demonstrated the basic functionality for simultaneous measurements in the visible and infrared. It is set to begin operations in the field at the California Laboratory for Atmospheric Remote Sensing (CLARS) observatory on Mt. Wilson
NASA Astrophysics Data System (ADS)
Wu, Yen-Hung; Key, Richard; Sander, Stanley; Blavier, Jean-Francois; Rider, David
2011-10-01
This paper summarizes the design and development of the Panchromatic Imaging Fourier Transform Spectrometer (PanFTS) for the NASA Geostationary Coastal and Air Pollution Events (GEO-CAPE) Mission. The PanFTS instrument will advance the understanding of the global climate and atmospheric chemistry by measuring spectrally resolved outgoing thermal and reflected solar radiation. With continuous spectral coverage from the near-ultraviolet through the thermal infrared, this instrument is designed to measure pollutants, greenhouse gases, and aerosols as called for by the U.S. National Research Council Decadal Survey; Earth Science and Applications from Space: National Imperatives for the Next Decade and Beyond1. The PanFTS instrument is a hybrid based on spectrometers like the Tropospheric Emissions Spectrometer (TES) that measures thermal emission, and those like the Orbiting Carbon Observatory (OCO), and the Ozone Monitoring Instrument (OMI) that measure scattered solar radiation. Simultaneous measurements over the broad spectral range from IR to UV is accomplished by a two sided interferometer with separate optical trains and detectors for the UV-visible and IR spectral domains. This allows each side of the instrument to be independently optimized for its respective spectral domain. The overall interferometer design is compact because the two sides share a single high precision cryogenic optical path difference mechanism (OPDM) and metrology laser as well as a number of other instrument systems including the line-of-sight pointing mirror, the data management system, thermal control system, electrical system, and the mechanical structure. The PanFTS breadboard instrument has been tested in the laboratory and demonstrated the basic functionality for simultaneous measurements in the visible and IR. It is set to begin operations in the field at the California Laboratory for Atmospheric Remote Sensing (CLARS) observatory on Mt. Wilson measuring the atmospheric chemistry
NASA Astrophysics Data System (ADS)
He, Qian; Wang, Guangping; Wu, Jingli; Li, Junwei
2014-11-01
As the impact of the instrument internal error, external interference and other factors, the interferogram measured by Fourier transform spectrometer is asymmetric, result in the complex outcome after Fourier transform. Currently, most radiometric calibration method used for Fourier transform spectrometer is usually based on real spectrums, which is converted from the above complex spectrum by calculating magnitude value or make the phase correction first. Proceed from error sources and mechanisms of the Fourier transform spectrometer, we propose a multi-point radiometric calibration method based on complex spectral data to improve the processing efficiency and accuracy, which is obtained by the original interferogram via Fourier transform. We solving the instrument response function include linear gain and offset by complex spectrum above to calculate complex spectral radiance. Compared with the traditional method based on real spectrum, the present efficient method does not limited to real spectrum and the phase correction is not required. In this paper, we use BOMEM's MR304 Fourier transform infrared spectrometer and the DCN1000N3 blackbody made by HGH Infrared Systems to carry out the radiation calibration experiment in laboratory. The results show that, the amplitude of complex radiance spectrum obtained by this method has a high consistency with the theoretical value, while the extra imaginary spectrum is similar with the difference between results and theoretical value in absolute value and trends. It proved that, this multi-point radiometric calibration method by using the amplitude of complex spectral data is highly reliable; meanwhile, the imaginary spectrum can reflect the calibration error very well and offer a new technical approach for accuracy evaluation research.
The Pegg-Barnett phase operator and the discrete Fourier transform
NASA Astrophysics Data System (ADS)
Perez-Leija, Armando; Andrade-Morales, Luis A.; Soto-Eguibar, Francisco; Szameit, Alexander; Moya-Cessa, Héctor M.
2016-04-01
In quantum mechanics the position and momentum operators are related to each other via the Fourier transform. In the same way, here we show that the so-called Pegg-Barnett phase operator can be obtained by the application of the discrete Fourier transform to the number operators defined in a finite-dimensional Hilbert space. Furthermore, we show that the structure of the London-Susskind-Glogower phase operator, whose natural logarithm gives rise to the Pegg-Barnett phase operator, is contained in the Hamiltonian of circular waveguide arrays. Our results may find applications in the development of new finite-dimensional photonic systems with interesting phase-dependent properties.
Time-domain surface profile imaging via a hyperspectral Fourier transform spectrometer.
Dupuis, Julia Rentz; Unlü, M Selim
2008-06-15
We describe a method for time-domain surface profile measurements via white-light reflection spectroscopy using a hyperspectral Fourier transform spectrometer (HS-FTS). This technique measures the frequency of the spectral modulation of reflected light from a multilayer optical surface and reports the spatially resolved optical thickness. Owing to the Fourier relationship, the Fourier transform spectrometer manifests this spectral modulation as temporal satellites in interferogram space. We show that measurement of the positions of these satellites can be used to reconstruct the optical thickness profile over a surface using the HS-FTS. PMID:18552962
[Research on spatially modulated Fourier transform imaging spectrometer data processing method].
Huang, Min; Xiangli, Bin; Lü, Qun-Bo; Zhou, Jin-Song; Jing, Juan-Juan; Cui, Yan
2010-03-01
Fourier transform imaging spectrometer is a new technic, and has been developed very rapidly in nearly ten years. The data catched by Fourier transform imaging spectrometer is indirect data, can not be used by user, and need to be processed by various approaches, including data pretreatment, apodization, phase correction, FFT, and spectral radicalization calibration. No paper so far has been found roundly to introduce this method. In the present paper, the author will give an effective method to process the interfering data to spectral data, and with this method we can obtain good result. PMID:20496726
NASA Astrophysics Data System (ADS)
Goda, Keisuke; Tsia, Kevin K.; Jalali, Bahram
2008-09-01
Dispersive Fourier transformation is a powerful technique in which the spectrum of an optical pulse is mapped into a time-domain waveform using chromatic dispersion. It replaces a diffraction grating and detector array with a dispersive fiber and single photodetector. This simplifies the system and, more importantly, enables fast real-time measurements. Here we describe a novel ultrafast barcode reader and displacement sensor that employs internally amplified dispersive Fourier transformation. This technique amplifies and simultaneously maps the spectrally encoded barcode into a temporal waveform. It achieves a record acquisition speed of 25MHz—four orders of magnitude faster than the current state of the art.
The Los Alamos Fourier-Transform Spectrometer: Applications To Molecular Spectroscopy
NASA Astrophysics Data System (ADS)
Palmer, Byron A.; McDowell, Robert S.
1989-12-01
We outline design considerations and operating characteristics of the Los Alamos Fourier-transform spectrometer, a state-of-the-art instrument operating from 200 nm to 20 μm with a resolution of 0.0026 cm-1 and very high wave number and intensity accuracy. Recent work in molecular spectroscopy carried out with this instrument will be discussed, including N2+ spectra obtained in inductively-coupled plasmas; high-temperature spectra of diatomic molecules of astrophysical interest; high-resolution rovibrational fine structure; and Fourier-transform Raman spectroscopy of species in expansion-cooled gases.
The Los Alamos Fourier-transform spectrometer: Applications to molecular spectroscopy
NASA Astrophysics Data System (ADS)
Palmer, Byron A.; McDowell, Robin S.
The design considerations and operating characteristics are outlined for the Los Alamos Fourier transform spectrometer, a state-of-the-art instrument operating from 200 nm to 20 micrometer with a resolution of 0.0026/cm and very high wave number and intensity accuracy. Recent work in molecular spectroscopy carried out with this instrument is discussed, including N2(+) spectra obtained in inductively-coupled plasmas; high-temperature spectra of diatomic molecules of astrophysical interest; high-resolution rovibrational fine structure; and Fourier transform Raman spectroscopy of species in expansion-cooled gases.
Orthonormal mode sets for the two-dimensional fractional Fourier transformation.
Alieva, Tatiana; Bastiaans, Martin J
2007-05-15
A family of orthonormal mode sets arises when Hermite-Gauss modes propagate through lossless first-order optical systems. It is shown that the modes at the output of the system are eigenfunctions for the symmetric fractional Fourier transformation if and only if the system is described by an orthosymplectic ray transformation matrix. Essentially new orthonormal mode sets can be obtained by letting helical Laguerre-Gauss modes propagate through an antisymmetric fractional Fourier transformer. The properties of these modes and their representation on the orbital Poincaré sphere are studied. PMID:17440542
Three-dimensional radiative transfer using a Fourier-transform matrix-operator method
NASA Technical Reports Server (NTRS)
Martonchik, J. V.; Diner, D. J.
1985-01-01
The three-dimensional equation of transfer for a scattering medium with planar geometry is solved by using a spatial Fourier transform and extending matrix-operator techniques developed previously for the one-dimensional equation. Doubling and adding algorithms were derived by means of an interaction principle for computing the Fourier-transformed radiation field. The resulting expressions fully describe the radiative transfer process in a scattering medium, inhomogeneous in the x-, y- and z-directions, illuminated from above by an arbitrarily general intensity field and bounded from below by a surface with completely general reflection properties.
Fast 3D shape measurement using Fourier transform profilometry without phase unwrapping
NASA Astrophysics Data System (ADS)
Song, Kechen; Hu, Shaopeng; Wen, Xin; Yan, Yunhui
2016-09-01
This paper presents a novel, simple, yet fast 3D shape measurement method using Fourier transform profilometry. Different from the conventional Fourier transform profilometry, this proposed method introduces the binocular stereo vision and employs two image pairs (i.e., original image pairs and fringe image pairs) to restructure 3D shape. In this proposed method, instead of phase unwrapping algorithm, a coarse disparity map is adopted as a constraint condition to realize phase matching using wrapped phase. Since the local phase matching and sub-pixel disparity refinement are proposed to obtain high measuring accuracy, high-quality phase is not required. The validity of the proposed method is verified by experiments.
Gridding and fast Fourier transformation on non-uniformly sparse sampled multidimensional NMR data.
Jiang, Bin; Jiang, Xianwang; Xiao, Nan; Zhang, Xu; Jiang, Ling; Mao, Xi-an; Liu, Maili
2010-05-01
For multidimensional NMR method, indirect dimensional non-uniform sparse sampling can dramatically shorten acquisition time of the experiments. However, the non-uniformly sampled NMR data cannot be processed directly using fast Fourier transform (FFT). We show that the non-uniformly sampled NMR data can be reconstructed to Cartesian grid with the gridding method that has been wide applied in MRI, and sequentially be processed using FFT. The proposed gridding-FFT (GFFT) method increases the processing speed sharply compared with the previously proposed non-uniform Fourier Transform, and may speed up application of the non-uniform sparse sampling approaches. PMID:20236843
Gridding and fast Fourier transformation on non-uniformly sparse sampled multidimensional NMR data
NASA Astrophysics Data System (ADS)
Jiang, Bin; Jiang, Xianwang; Xiao, Nan; Zhang, Xu; Jiang, Ling; Mao, Xi-an; Liu, Maili
2010-05-01
For multidimensional NMR method, indirect dimensional non-uniform sparse sampling can dramatically shorten acquisition time of the experiments. However, the non-uniformly sampled NMR data cannot be processed directly using fast Fourier transform (FFT). We show that the non-uniformly sampled NMR data can be reconstructed to Cartesian grid with the gridding method that has been wide applied in MRI, and sequentially be processed using FFT. The proposed gridding-FFT (GFFT) method increases the processing speed sharply compared with the previously proposed non-uniform Fourier Transform, and may speed up application of the non-uniform sparse sampling approaches.
Zheng, Y. |; Shirley, D.A.
1995-02-01
The authors show by Fourier analyses of experimental data, with no further treatment, that the positions of all the strong peaks in Fourier transforms of angle-resolved photoemission extended fine structure (ARPEFS) from adsorbed surfaces can be explicitly predicted from a trial structure with an accuracy of about {+-} 0.3 {angstrom} based on a single-scattering cluster model together with the concept of a strong backscattering cone, and without any additional analysis. This characteristic of ARPEFS Fourier transforms can be developed as a simple method for determining the structures of adsorbed surfaces to an accuracy of about {+-} 0.1 {angstrom}.
Moffat, Jonathan G; Mayes, Andrew G; Belton, Peter S; Craig, Duncan Q M; Reading, Mike
2010-01-01
Photothermal-Fourier transform-infrared (PT-FT-IR) microspectroscopy employs a thermal probe mounted in a scanning probe microscope (SPM). By placement of the tip of the probe on the surface of a solid sample, it can obtain localized IR spectra of a wide range of samples. A second mode of analysis is also available; a sample can be taken from the selected location using a technique called thermally assisted nanosampling (TAN), then a spectrum can be obtained of the nanosample while the probe is remote from the surface. We report a novel method of local compositional analysis that combines both of these types of measurement; a reagent is attached to the tip using TAN, then the reagent is placed in contact with analyte. IR spectroscopy can then be used to analyze any interaction between the reagent and surface it is placed in contact with. All of these modes of analysis were illustrated using a metal chelating agent. In the surface mode, changes to a solid bead of a chelating resin were measured using standard PT-FT-IR. In the nanosampling mode of analysis, a particle of a chelating polymer was attached to the tip of the probe using TAN and this was placed in contact with a concentrated calcium solution. Strong spectral changes were observed that mirrored those found when exposing the surface bound chelating resin bead to a solution of the same ion. A semiquantitative simulation of the PT spectrum for a chelating resin bead was achieved using a thermal diffusion model derived from photoacoustic spectroscopy indicating that semiquantitative or quantitative measurements will be possible in such a system. PMID:19957959
Ion Surfing: A new ion transport method for cryogenic gas catchers, simulations
NASA Astrophysics Data System (ADS)
Gehring, Amanda; Bollen, Georg; Brodeur, Maxime; Morrissey, Dave; Pang, Gregory
2011-10-01
Gas cells are the tool of choice to thermalize fast rare ion beams produced at projectile fragmentation facilities. After passing through solid degraders, the residual kinetic energy of the ions is dissipated through collisions with the gas atoms and ionization. Previously, ions were directed through a gas cell along a descending electrostatic potential gradient called a ``drag field.'' Some cells apply a drag field over electrodes with alternating (RF) fields to prevent the rare ions from colliding with the walls. ``Ion surfing'' is a new method proposed by Bollen which replaces the drag field with a traveling wave superimposed with RF on numerous, thin electrodes. Large potential differences are no longer required for transport over long distances, and the traveling wave can transport ions at a greater speed. This method is being tested for the new cryogenic linear gas cell of the National Superconducting Cyclotron Laboratory at Michigan State University. We will present the concept and simulation results. Work supported by the National Science Foundation and Department of Energy.
NASA Astrophysics Data System (ADS)
Ermilov, A. S.; Zobov, V. E.
2007-12-01
To experimentally realize quantum computations on d-level basic elements (qudits) at d > 2, it is necessary to develop schemes for the technical realization of elementary logical operators. We have found sequences of selective rotation operators that represent the operators of the quantum Fourier transform (Walsh-Hadamard matrices) for d = 3-10. For the prime numbers 3, 5, and 7, the well-known method of linear algebra is applied, whereas, for the factorable numbers 6, 9, and 10, the representation of virtual spins is used (which we previously applied for d = 4, 8). Selective rotations can be realized, for example, by means of pulses of an RF magnetic field for systems of quadrupole nuclei or laser pulses for atoms and ions in traps.
NASA Astrophysics Data System (ADS)
Qi, Yulin; Li, Huilin; Wills, Rebecca H.; Perez-Hurtado, Pilar; Yu, Xiang; Kilgour, David P. A.; Barrow, Mark P.; Lin, Cheng; O'Connor, Peter B.
2013-06-01
The method of phasing broadband Fourier transform ion cyclotron resonance (FT-ICR) spectra allows plotting the spectra in the absorption-mode; this new approach significantly improves the quality of the data at no extra cost. Herein, an internal calibration method for calculating the phase function has been developed and successfully applied to the top-down spectra of modified proteins, where the peak intensities vary by 100×. The result shows that the use of absorption-mode spectra allows more peaks to be discerned within the recorded data, and this can reveal much greater information about the protein and modifications under investigation. In addition, noise and harmonic peaks can be assigned immediately in the absorption-mode.
PARTICULATE MATTER MEASUREMENTS USING OPEN-PATH FOURIER TRANSFORM INFRARED SPECTROSCOPY
Open-path Fourier transform infrared (OP-FT1R) spectroscopy is an accepted technology for measuring gaseous air contaminants. OP-FT1R absorbance spectra acquired during changing aerosols conditions reveal related changes in very broad baseline features. Usually, this shearing of ...
Fourier-transform spectroscopy of O3 in the 3-micron region
NASA Technical Reports Server (NTRS)
Smith, M. A. H.; Rinsland, C. P.; Malathy Devi, V.; Flaud, J.-M.; Camy-Peyret, C.
1989-01-01
Fourier transform spectra of ozone have been recorded in the 2-5-micron region at a resolution of 0.01/cm. Absorption lines belonging to numerous vibration-rotation transitions have been observed in these spectra, and a detailed analysis of the band system centered at 3.6 microns has been completed.
The Use of the Fourier Transform for Solving Linear Elasticity Problems
NASA Astrophysics Data System (ADS)
Kozubek, Tomas; Mocek, Lukas
2011-11-01
This paper deals with solving linear elasticity problems using a modified fictitious domain method and an effective solver based on the discrete Fourier transform and the Schur complement reduction in combination with the null space method. The main goal is to show step by step all ingredients of the numerical solution.
NASA Astrophysics Data System (ADS)
Mocek, Lukas; Kozubek, Tomas
2011-09-01
The paper deals with the numerical solution of elliptic boundary value problems for 2D linear elasticity using the fictitious domain method in combination with the discrete Fourier transform and the FETI domain decomposition. We briefly mention the theoretical background of these methods, introduce resulting solvers, and demonstrate their efficiency on model benchmarks.
Technology Transfer Automated Retrieval System (TEKTRAN)
A new chemometric method based on absorbance ratios from Fourier transform infrared spectra was devised to analyze multicomponent biodegradable plastics. The method uses the BeerLambert law to directly compute individual component concentrations and weight losses before and after biodegradation of c...
ERIC Educational Resources Information Center
Perkins, W. D.
1986-01-01
Discusses: (1) the design of the Fourier Transform-Infrared Spectroscopy (FT-IR) spectrometer; (2) the computation of the spectrum from the interferogram; and (3) the use of apodization. (Part II will discuss advantages of FT-IR over dispersive techniques and show applications of FT-IR to difficult spectroscopic measurements.) (JN)
A commercial Fourier transform interferometer system with telescopic optics has been installed in a van and used to make long-path absorption and single-ended emission measurements of gaseous pollutant concentrations at a number of geographical locations. The system covers the in...
Refined Fourier-transform method of analysis of full two-dimensional digitized interferograms
NASA Astrophysics Data System (ADS)
Lovrić, Davorin; Vučić, Zlatko; Gladić, Jadranko; Demoli, Nazif; Mitrović, Slobodan; Milas, Mirko
2003-03-01
A refined Fourier-transform method of analysis of interference patterns is presented. The refinements include a method of automatic background subtraction and a way of treating the problem of heterodyning. The method proves particularly useful for analysis of long sequences of interferograms.
Regenerative Fourier transformation for dual-quadrature regeneration of multilevel rectangular QAM.
Sorokina, Mariia; Sygletos, Stylianos; Ellis, Andrew; Turitsyn, Sergei
2015-07-01
We propose a new nonlinear optical loop mirror based configuration capable of regenerating regular rectangular quadrature amplitude modulated (QAM) signals. The scheme achieves suppression of noise distortion on both signal quadratures through the realization of two orthogonal regenerative Fourier transformations. Numerical simulations show the performance of the scheme for high constellation complexities (including 256-QAM formats). PMID:26125381
NASA Technical Reports Server (NTRS)
Wiedermann, Guenter; Jennings, D. E.; Hanel, R. H.; Kunde, V. G.; Moseley, S. H.
1989-01-01
A postdispersion system for astronomical observations with Fourier transform spectrometers in the thermal infrared has been developed which improves the sensitivity of radiation noise limited observations by reducing the spectral range incident on the detector. Special attention is given to the first-generation blocked impurity band detector. Planetary, solar, and stellar observations are reported.
Nikolay I. Agladz, John Klopf, Gwyn Williams, Albert J. Sievers
2010-06-01
By use of coherent terahertz synchrotron radiation, we experimentally tested a holographic Fourier transform spectrometer coupled to an array detector to determine its viability as a spectral device. Somewhat surprisingly, the overall performance strongly depends on the absorptivity of the birefringent lithium tantalate pixels in the array detector.
Gallery of Datacubes Obtained with the Livermore Imaging Fourier Transform Spectrometer
Wurtz, R; Wishnow, E H; Blais-Ouellette, S; Cook, K H; Holden, B P; Carr, D J; Stubbs, C W
2002-09-12
We have acquired spatial-spectral datacubes of astronomical objects using the Livermore visible-band imaging Fourier transform spectrometer at Apache Point Observatory. Each raw datacube contains hundreds of thousands of spectral interferograms. We present in-progress demonstrations of these observations.
USE OF A FOURIER TRANSFORM SPECTROMETER AS A REMOTE SENSOR AT SUPERFUND SITES
A Fourier transform infrared remote sensor (FTIR-RS) was used to measure chemical emissions at the Shaver's Park Superfund site in northwestern Georgia. he system was bistatic with a source/receiver at one end of a 250 path and a retroreflector at the other end. he source/receive...
Several field tests of a Fourier transform infrared (FTIR) spectrometer have been conducted. he results indicate that effective use of this type of instrument in the field of continuous emissions monitoring (CEM) is possible under the proper conditions, and within limits currentl...
Technology Transfer Automated Retrieval System (TEKTRAN)
This study deals with transferring the near-infrared (NIR) calibration models for quality assessment of barley between two instruments with different resolutions and number of data points, a Fourier transform instrument (master) and a dispersive instrument (slave). A file of spectra from 206 ground ...
As part of the Online Surface Cleanliness Project, the Naval Facilities Engineering Service Center (NFESC) conducted a study of grazing-angle reflectance Fourier Transform Infrared (FTIR) Spectroscopy as a tool for online cleanliness verification at Department of Defense (DoD) cl...
A Graphical Presentation to Teach the Concept of the Fourier Transform
ERIC Educational Resources Information Center
Besalu, E.
2006-01-01
A study was conducted to visualize the reason why the Fourier transform technique is useful to detect the originating frequencies of a complicated superposition of waves. The findings reveal that students respond well when instructors adapt pictorial presentation to show how the time-domain function is transformed into the frequency domain.
Technology Transfer Automated Retrieval System (TEKTRAN)
Our presentation will focus on continuing efforts to examine secondary cell wall development in cotton fibers using infrared Spectroscopy. Cotton fibers harvested at 18, 20, 24, 28, 32, 36 and 40 days after flowering were examined using attenuated total reflection Fourier transform-infrared (ATR FT-...
Technology Transfer Automated Retrieval System (TEKTRAN)
The automated quantification of three greenhouse gases, ammonia, methane and nitrous oxide, in the vicinity of a large dairy farm by open-path Fourier transform infrared (OP/FT-IR) spectrometry at intervals of 5 minutes is demonstrated. Spectral pretreatment, including the detection and correction ...
The Kinetics of Mo(Co)6 Substitution Monitored by Fourier Transform Infrared Spectrophotometry.
ERIC Educational Resources Information Center
Suslick, Kenneth S.; And Others
1987-01-01
Describes a physical chemistry experiment that uses Fourier transform (FTIR) spectrometers and microcomputers as a way of introducing students to the spectral storage and manipulation techniques associated with digitized data. It can be used to illustrate FTIR spectroscopy, simple kinetics, inorganic mechanisms, and Beer's Law. (TW)
Reduction and coding of synthetic aperture radar data with Fourier transforms
NASA Technical Reports Server (NTRS)
Tilley, David G.
1995-01-01
Recently, aboard the Space Radar Laboratory (SRL), the two roles of Fourier Transforms for ocean image synthesis and surface wave analysis have been implemented with a dedicated radar processor to significantly reduce Synthetic Aperture Radar (SAR) ocean data before transmission to the ground. The object was to archive the SAR image spectrum, rather than the SAR image itself, to reduce data volume and capture the essential descriptors of the surface wave field. SAR signal data are usually sampled and coded in the time domain for transmission to the ground where Fourier Transforms are applied both to individual radar pulses and to long sequences of radar pulses to form two-dimensional images. High resolution images of the ocean often contain no striking features and subtle image modulations by wind generated surface waves are only apparent when large ocean regions are studied, with Fourier transforms, to reveal periodic patterns created by wind stress over the surface wave field. Major ocean currents and atmospheric instability in coastal environments are apparent as large scale modulations of SAR imagery. This paper explores the possibility of computing complex Fourier spectrum codes representing SAR images, transmitting the coded spectra to Earth for data archives and creating scenes of surface wave signatures and air-sea interactions via inverse Fourier transformations with ground station processors.
NASA Astrophysics Data System (ADS)
Amir, W.; Planchon, T. A.; Durfee, C. G.; Squier, J. A.; Gabolde, P.; Trebino, R.; Müller, M.
2006-10-01
We demonstrate the use of a simple tool to simultaneously visualize and characterize chromatic and spherical aberrations that are present in multiphoton microscopy. Using two-dimensional Fourier transform spectral interferometry, we measured these aberrations, deducing in a single shot spatiotemporal effects in high-numerical-aperture objectives.
NASA Astrophysics Data System (ADS)
Amir, W.; Planchon, T. A.; Durfee, C. G.; Squier, J. A.
2007-04-01
Spatiotemporal pulse shaping is characterized with two-dimensional Fourier transform spectral interferometry. A deformable-mirror-based bidimensional pulse shaper is used to create simple spatiotemporal structures on a femtosecond pulse, structures that are directly calculated from the measured spatiospectral phases and intensities.
Technology Transfer Automated Retrieval System (TEKTRAN)
Soil science research is increasingly applying Fourier transform infrared (FTIR) spectroscopy for analysis of soil organic matter (SOM). However, the compositional complexity of soils and the dominance of the mineral component can limit spectroscopic resolution of SOM and other minor components. The...
ATMOSPHERIC MEASUREMENTS OF TRACE POLLUTANTS; LONG PATH FOURIER TRANSFORM INFRARED SPECTROSCOPY
Described are the results of a four-year study to measure trace pollutant concentrations in polluted atmospheres by kilometer pathlength Fourier transform infrared (FT-IR) absorption spectroscopy. The study covers selected smog episodes during the years 1976 to 1979. During 1976 ...
Hermann, Peter; Hoehl, Arne; Patoka, Piotr; Huth, Florian; Rühl, Eckart; Ulm, Gerhard
2013-02-11
We demonstrate scanning near-field optical microscopy with a spatial resolution below 100 nm by using low intensity broadband synchrotron radiation in the IR regime. The use of such a broadband radiation source opens up the possibility to perform nano-Fourier-transform infrared spectroscopy over a wide spectral range. PMID:23481749
NASA Astrophysics Data System (ADS)
Zhao, Chengliang; Huang, Kaikai; Lu, Xuanhui
2010-03-01
The properties of Bessel-Gaussian beams (BGBs) and Bessel beams (BBs) propagating through a fractional Fourier transform (FRT) optical system have been investigated. The analytical transformation formulae for BBs and BGBs propagation through a FRT optical system are derived based on definition of the FRT in the cylindrical coordinate system. By using the derived formula, numerical examples are illustrated.
Review of finite fields: Applications to discrete Fourier, transforms and Reed-Solomon coding
NASA Technical Reports Server (NTRS)
Wong, J. S. L.; Truong, T. K.; Benjauthrit, B.; Mulhall, B. D. L.; Reed, I. S.
1977-01-01
An attempt is made to provide a step-by-step approach to the subject of finite fields. Rigorous proofs and highly theoretical materials are avoided. The simple concepts of groups, rings, and fields are discussed and developed more or less heuristically. Examples are used liberally to illustrate the meaning of definitions and theories. Applications include discrete Fourier transforms and Reed-Solomon coding.
Teaching Stable Two-Mirror Resonators through the Fractional Fourier Transform
ERIC Educational Resources Information Center
Moreno, Ignacio; Garcia-Martinez, Pascuala; Ferreira, Carlos
2010-01-01
We analyse two-mirror resonators in terms of their fractional Fourier transform (FRFT) properties. We use the basic ABCD ray transfer matrix method to show how the resonator can be regarded as the cascade of two propagation-lens-propagation FRFT systems. Then, we present a connection between the geometric properties of the resonator (the g…
Large quantum Fourier transforms are never exactly realized by braiding conformal blocks
Freedman, Michael H.; Wang, Zhenghan
2007-03-15
Fourier transform is an essential ingredient in Shor's factoring algorithm. In the standard quantum circuit model with the gate set {l_brace}U(2), controlled-NOT{r_brace}, the discrete Fourier transforms F{sub N}=({omega}{sup ij}){sub NxN}, i,j=0,1,...,N-1, {omega}=e{sup 2{pi}}{sup i} at {sup {approx}}{sup sol{approx}} at {sup N}, can be realized exactly by quantum circuits of size O(n{sup 2}), n=ln N, and so can the discrete sine or cosine transforms. In topological quantum computing, the simplest universal topological quantum computer is based on the Fibonacci (2+1)-topological quantum field theory (TQFT), where the standard quantum circuits are replaced by unitary transformations realized by braiding conformal blocks. We report here that the large Fourier transforms F{sub N} and the discrete sine or cosine transforms can never be realized exactly by braiding conformal blocks for a fixed TQFT. It follows that an approximation is unavoidable in the implementation of Fourier transforms by braiding conformal blocks.
Fourier-Transform Infrared Spectroscopy Analysis of Modified Cotton Trash Extracts
Technology Transfer Automated Retrieval System (TEKTRAN)
In a previous study, Fourier transform infrared spectroscopy (FTIR) was utilized in identifying different types of botanical cotton trash as each was subjected to simulations of ginning and textile processing. Changes in the infrared spectra that occurred after heat treatment indicated that the nee...
The United States Environmental Protection Agency (U.S. EPA) requires reference spectra to support its gas chromatography/Fourier transform infrared (GC/FT-IR) routine environmental monitoring program. Although on-the-fly (OTF) techniques are needed to satisfy the Agency's high s...
Technology Transfer Automated Retrieval System (TEKTRAN)
Over 32,000 interferograms measured during open-path Fourier transform infrared (OP/FT-IR) measurements at dairy and hog farms were evaluated for anomalies. Five types of anomalies could be distinguished: a reduction in the interferogram intensity because of weather-related optical misalignment; an ...
NASA Astrophysics Data System (ADS)
Deeley, C. M.; Spragg, R. A.; Threlfall, T. L.
Polymorphism in cortisone acetate, a synthetic adrenocortical steroid, and in a compound from a heart disease project has been studied with near-infrared Fourier transform Raman (NIR FT-Raman) spectroscopy. For cortisone acetate similar quantitative precision was obtained with both Raman and diffuse reflection IR measurements. The Raman measurements of the heart disease compound gave a calibration with a standard error of prediction of better than 2.5%. The combination of excellent precision with very convenient measurement of powders makes NIR FT-Raman spectroscopy a valuable tool for quantitative measurements of polymorphism.
NASA Astrophysics Data System (ADS)
Gundreddy, Rohith Reddy; Tan, Maxine; Qui, Yuchen; Zheng, Bin
2015-03-01
The purpose of this study is to develop and test a new content-based image retrieval (CBIR) scheme that enables to achieve higher reproducibility when it is implemented in an interactive computer-aided diagnosis (CAD) system without significantly reducing lesion classification performance. This is a new Fourier transform based CBIR algorithm that determines image similarity of two regions of interest (ROI) based on the difference of average regional image pixel value distribution in two Fourier transform mapped images under comparison. A reference image database involving 227 ROIs depicting the verified soft-tissue breast lesions was used. For each testing ROI, the queried lesion center was systematically shifted from 10 to 50 pixels to simulate inter-user variation of querying suspicious lesion center when using an interactive CAD system. The lesion classification performance and reproducibility as the queried lesion center shift were assessed and compared among the three CBIR schemes based on Fourier transform, mutual information and Pearson correlation. Each CBIR scheme retrieved 10 most similar reference ROIs and computed a likelihood score of the queried ROI depicting a malignant lesion. The experimental results shown that three CBIR schemes yielded very comparable lesion classification performance as measured by the areas under ROC curves with the p-value greater than 0.498. However, the CBIR scheme using Fourier transform yielded the highest invariance to both queried lesion center shift and lesion size change. This study demonstrated the feasibility of improving robustness of the interactive CAD systems by adding a new Fourier transform based image feature to CBIR schemes.
Horn, Michael; Nienhaus, Karin; Nienhaus, Gerd Ulrich
2014-01-01
Inducible nitric oxide synthase (iNOS) is a homodimeric heme enzyme that catalyzes the formation of nitric oxide (NO) from dioxygen and L-arginine (L-Arg) in a two-step process. The produced NO can either diffuse out of the heme pocket into the surroundings or it can rebind to the heme iron and inhibit enzyme action. Here we have employed Fourier transform infrared (FTIR) photolysis difference spectroscopy at cryogenic temperatures, using the carbon monoxide (CO) and NO stretching bands as local probes of the active site of iNOS. Characteristic changes were observed in the spectra of the heme-bound ligands upon binding of the cofactors. Unlike photolyzed CO, which becomes trapped in well-defined orientations, as indicated by sharp photoproduct bands, photoproduct bands of NO photodissociated from the ferric heme iron were not visible, indicating that NO does not reside in the protein interior in a well-defined location or orientation. This may be favorable for NO release from the enzyme during catalysis because it reduces self-inhibition. Moreover, we used temperature derivative spectroscopy (TDS) with FTIR monitoring to explore the dynamics of NO and carbon monoxide (CO) inside iNOS after photodissociation at cryogenic temperatures. Only a single kinetic photoproduct state was revealed, but no secondary docking sites as in hemoglobins. Interestingly, we observed that intense illumination of six-coordinate ferrous iNOS oxy-NO ruptures the bond between the heme iron and the proximal thiolate to yield five-coordinate ferric iNOS oxy-NO, demonstrating the strong trans effect of the heme-bound NO. PMID:25653844
NASA Astrophysics Data System (ADS)
Glebov, V. Yu.; Forrest, C. J.; Sangster, T. C.; Stoeckl, C.
2014-10-01
Several neutron time-of-flight (nTOF) detectors installed at different lines of sight (LOS) are used to measure neutron-averaged ion temperature in direct-drive DT implosions on the OMEGA laser. The measurement precision of the ion temperature in different LOS for ambient targets is less than 4% rms. In DT cryogenic implosions, however, the ratio of the ion temperature measured in different LOS can vary by a factor of 2. Correlations of the ion-temperature difference with parameters such as target offset, beam power balance, and phase plates in DT cryogenic implosions on OMEGA will be presented. This material is based upon work supported by the Department of Energy National Nuclear Security Administration under Award Number DE-NA0001944.
Scott, Jill R.; Ham, Jason E.; Durham, Bill; Tremblay, Paul L.
2004-01-01
Metal polypyridines are excellent candidates for gas-phase optical experiments where their intrinsic properties can be studied without complications due to the presence of solvent. The fluorescence lifetimes of [Ru(bpy) 3 ] 1+ trapped in an optical detection cell within a Fourier transform mass spectrometer were obtained using matrix-assisted laser desorption/ionization to generate the ions with either 2,5-dihydroxybenzoic acid (DHB) or sinapinic acid (SA) as matrix. All transients acquired, whether using DHB or SA for ion generation, were best described as approximately exponential decays. The rate constant for transients derived using DHB as matrix was 4×10 7 s −1 ,more » while the rate constant using SA was 1×10 7 s −1 . Some suggestions of multiple exponential decay were evident although limited by the quality of the signals. Photodissociation experiments revealed that [Ru(bpy) 3 ] 1+ generated using DHB can decompose to [Ru(bpy) 2 ] 1+ , whereas ions generated using SA showed no decomposition. Comparison of the mass spectra with the fluorescence lifetimes illustrates the promise of incorporating optical detection with trapped ion mass spectrometry techniques.« less
Jill R. Scott; Jason E. Ham; Bill Durham; Paul L. Tremblay
2004-02-01
Metal polypyridines are excellent candidates for gas-phase optical experiments where their intrinsic properties can be studied without complications due to the presence of solvent. The fluorescence lifetimes of [Ru(bpy)3]1+ trapped in an optical detection cell within a Fourier transform mass spectrometer were obtained using matrix-assisted laser desorption/ionization to generate the ions with either 2,5-dihydroxybenzoic acid (DHB) or sinapinic acid (SA) as matrix. All transients acquired, whether using DHB or SA for ion generation, were best described as approximately exponential decays. The rate constant for transients derived using DHB as matrix was 4×107 s-1, while the rate constant using SA was 1×107 s-1. Some suggestions of multiple exponential decay were evident although limited by the quality of the signals. Photodissociation experiments revealed that [Ru(bpy)3]1+ generated using DHB can decompose to [Ru(bpy)2]1+, whereas ions generated using SA showed no decomposition. Comparison of the mass spectra with the fluorescence lifetimes illustrates the promise of incorporating optical detection with trapped ion mass spectrometry techniques.
Ross, Charles W; Simonsick, William J; Bogusky, Michael J; Celikay, Recep W; Guare, James P; Newton, Randall C
2016-01-01
Ceramides are a central unit of all sphingolipids which have been identified as sites of biological recognition on cellular membranes mediating cell growth and differentiation. Several glycosphingolipids have been isolated, displaying immunomodulatory and anti-tumor activities. These molecules have generated considerable interest as potential vaccine adjuvants in humans. Accurate analyses of these and related sphingosine analogues are important for the characterization of structure, biological function, and metabolism. We report the complementary use of direct laser desorption ionization (DLDI), sheath flow electrospray ionization (ESI) Fourier transform ion cyclotron resonance mass spectrometry (FTICR MS) and high-field nuclear magnetic resonance (NMR) analysis for the rapid, accurate identification of hexacosanoylceramide and starting materials. DLDI does not require stringent sample preparation and yields representative ions. Sheath-flow ESI yields ions of the product and byproducts and was significantly better than monospray ESI due to improved compound solubility. Negative ion sheath flow ESI provided data of starting materials and products all in one acquisition as hexacosanoic acid does not ionize efficiently when ceramides are present. NMR provided characterization of these lipid molecules complementing the results obtained from MS analyses. NMR data was able to differentiate straight chain versus branched chain alkyl groups not easily obtained from mass spectrometry. PMID:27367671
Ross, Charles W.; Simonsick, William J.; Bogusky, Michael J.; Celikay, Recep W.; Guare, James P.; Newton, Randall C.
2016-01-01
Ceramides are a central unit of all sphingolipids which have been identified as sites of biological recognition on cellular membranes mediating cell growth and differentiation. Several glycosphingolipids have been isolated, displaying immunomodulatory and anti-tumor activities. These molecules have generated considerable interest as potential vaccine adjuvants in humans. Accurate analyses of these and related sphingosine analogues are important for the characterization of structure, biological function, and metabolism. We report the complementary use of direct laser desorption ionization (DLDI), sheath flow electrospray ionization (ESI) Fourier transform ion cyclotron resonance mass spectrometry (FTICR MS) and high-field nuclear magnetic resonance (NMR) analysis for the rapid, accurate identification of hexacosanoylceramide and starting materials. DLDI does not require stringent sample preparation and yields representative ions. Sheath-flow ESI yields ions of the product and byproducts and was significantly better than monospray ESI due to improved compound solubility. Negative ion sheath flow ESI provided data of starting materials and products all in one acquisition as hexacosanoic acid does not ionize efficiently when ceramides are present. NMR provided characterization of these lipid molecules complementing the results obtained from MS analyses. NMR data was able to differentiate straight chain versus branched chain alkyl groups not easily obtained from mass spectrometry. PMID:27367671
NASA Astrophysics Data System (ADS)
Tian, Jiangxue; Qi, Lin; Wang, Yaxing
2015-12-01
As one of classic methods of frequency domain based saliency detection, Spectral residual (SR) method has shown several advantages. However, it usually produces higher saliency values at object edges instead of generating maps that uniformly cover the whole object, which results from failing to exploit all the spatial frequency content of the original image. The Two-Dimensional Fractional Fourier transform (2D-FRFT) is a generalized form of the traditional Fourier Transform (FT) which can abstract more meaningful information of the image under certain conditions. Based on this property, we propose a new method which detects the salient region based on 2D-FRFT domain. Moreover, we also use Hough transform detection and a band-pass filter to refine the saliency map. We conduct experiments on a common used dataset: MSRA. The proposed method is compared with several other saliency detection methods and shown to achieve superior result.
Simulation of micromechanical behavior of polycrystals: finite elements vs. fast Fourier transforms
Lebensohn, Ricardo A; Prakash, Arun
2009-01-01
In this work, we compare finite element and fast Fourier transform approaches for the prediction of micromechanical behavior of polycrystals. Both approaches are full-field approaches and use the same visco-plastic single crystal constitutive law. We investigate the texture and the heterogeneity of the inter- and intragranular, stress and strain fields obtained from the two models. Additionally, we also look into their computational performance. Two cases - rolling of aluminium and wire drawing of tungsten - are used to evaluate the predictions of the two mode1s. Results from both the models are similar, when large grain distortions do not occur in the polycrystal. The finite element simulations were found to be highly computationally intensive, in comparison to the fast Fourier transform simulations.
NASA Astrophysics Data System (ADS)
Sun, Zhiwei; Zhi, Ya'nan; Liu, Liren; Sun, Jianfeng; Zhou, Yu; Hou, Peipei
2013-09-01
The synthetic aperture imaging ladar (SAIL) systems typically generate large amounts of data difficult to compress with digital method. This paper presents an optical SAIL processor based on compensation of quadratic phase of echo in azimuth direction and two dimensional Fourier transform. The optical processor mainly consists of one phase-only liquid crystal spatial modulator(LCSLM) to load the phase data of target echo and one cylindrical lens to compensate the quadratic phase and one spherical lens to fulfill the task of two dimensional Fourier transform. We show the imaging processing result of practical target echo obtained by a synthetic aperture imaging ladar demonstrator. The optical processor is compact and lightweight and could provide inherent parallel and the speed-of-light computing capability, it has a promising application future especially in onboard and satellite borne SAIL systems.
Gaseous effluent monitoring and identification using an imaging Fourier transform spectrometer
Carter, M.R.; Bennett, C.L.; Fields, D.J.; Hernandez, J.
1993-10-01
We are developing an imaging Fourier transform spectrometer for chemical effluent monitoring. The system consists of a 2-D infrared imaging array in the focal plane of a Michelson interferometer. Individual images are coordinated with the positioning of a moving mirror in the Michelson interferometer. A three dimensional data cube with two spatial dimensions and one interferogram dimension is then Fourier transformed to produce a hyperspectral data cube with one spectral dimension and two spatial dimensions. The spectral range of the instrument is determined by the choice of optical components and the spectral range of the focal plane array. Measurements in the near UV, visible, near IR, and mid-IR ranges are possible with the existing instrument. Gaseous effluent monitoring and identification measurements will be primarily in the ``fingerprint`` region of the spectrum, ({lambda} = 8 to 12 {mu}m). Initial measurements of effluent using this imaging interferometer in the mid-IR will be presented.
Park, G Barratt; Field, Robert W
2016-05-28
Since its invention in 2006, the broadband chirped pulse Fourier transform spectrometer has transformed the field of microwave spectroscopy. The technique enables the collection of a ≥10 GHz bandwidth spectrum in a single shot of the spectrometer, which allows broadband, high-resolution microwave spectra to be acquired several orders of magnitude faster than what was previously possible. We discuss the advantages and challenges associated with the technique and look back on the first ten years of chirped pulse Fourier transform spectroscopy. In addition to enabling faster-than-ever structure determination of increasingly complex species, the technique has given rise to an assortment of entirely new classes of experiments, ranging from chiral sensing by three-wave mixing to microwave detection of multichannel reaction kinetics. However, this is only the beginning. Future generations of microwave experiments will make increasingly creative use of frequency-agile pulse sequences for the coherent manipulation and interrogation of molecular dynamics. PMID:27250271
Ohta, Izumi S; Hattori, Makoto; Matsuo, Hiroshi
2007-05-20
We have developed a millimeter and submillimeter Michelson-type bolometric interferometer based on a Martin-Puplett-type Fourier-transform spectrometer named multi-Fourier-transform interferometer (MuFT). We have succeeded in proving that the MuFT is capable of performing broadband imaging observations as theoretically proposed by our previous paper (OHM) [Appl. Opt. 45, 2576 (2006)]. We succeeded in acquiring the mutual coherence signal for an extended source in broadband. By analyzing the obtained mutual coherence signal following the formula proposed in OHM, 2D source images for each wavenumber from 5 cm(-1) (150 GHz) to 35 cm(-1) (1.05 THz) with a wavenumber interval of 0.4 cm(-1) (12 GHz) were successfully extracted. The large dynamic range advantage of the MuFT proposed in OHM was confirmed experimentally. PMID:17514233
Sperling, Edit; Bunner, Anne E.; Sykes, Michael T.; Williamson, James R.
2008-01-01
Quantitative proteomic mass spectrometry involves comparison of the amplitudes of peaks resulting from different isotope labeling patterns, including fractional atomic labeling and fractional residue labeling. We have developed a general and flexible analytical treatment of the complex isotope distributions that arise in these experiments, using Fourier transform convolution to calculate labeled isotope distributions and least-squares for quantitative comparison with experimental peaks. The degree of fractional atomic and fractional residue labeling can be determined from experimental peaks at the same time as the integrated intensity of all of the isotopomers in the isotope distribution. The approach is illustrated using data with fractional 15N-labeling and fractional 13C-isoleucine labeling. The least-squares Fourier transform convolution approach can be applied to many types of quantitive proteomic data, including data from stable isotope labeling by amino acids in cell culture and pulse labeling experiments. PMID:18522437
Perspective: The first ten years of broadband chirped pulse Fourier transform microwave spectroscopy
NASA Astrophysics Data System (ADS)
Park, G. Barratt; Field, Robert W.
2016-05-01
Since its invention in 2006, the broadband chirped pulse Fourier transform spectrometer has transformed the field of microwave spectroscopy. The technique enables the collection of a ≥10 GHz bandwidth spectrum in a single shot of the spectrometer, which allows broadband, high-resolution microwave spectra to be acquired several orders of magnitude faster than what was previously possible. We discuss the advantages and challenges associated with the technique and look back on the first ten years of chirped pulse Fourier transform spectroscopy. In addition to enabling faster-than-ever structure determination of increasingly complex species, the technique has given rise to an assortment of entirely new classes of experiments, ranging from chiral sensing by three-wave mixing to microwave detection of multichannel reaction kinetics. However, this is only the beginning. Future generations of microwave experiments will make increasingly creative use of frequency-agile pulse sequences for the coherent manipulation and interrogation of molecular dynamics.
de Oliveira, M E; de Oliveira, G N; de Souza, J C; dos Santos, P A M
2016-02-10
In the present paper, the method of simultaneous moiré-like fringe pattern projection for Fourier transform profilometry is described. The photorefractive holographic interferometric process produces controlled moiré-like patterns with two or more different variation directions. Each low spatial frequency fringe pattern is experimentally obtained as a result of the superposition of two high spatial frequency sinusoidal gratings, with slightly different pitches, for each fringe variation direction. These dynamic moiré-like patterns are induced due to an optical holographic beating of the sinusoidal induced gratings in the volume of the photorefractive Bi₁₂TiO₂₀ (BTO) crystal sample used as dynamic holographic medium. Two or more moiré-like fringe patterns, with at least two different variation directions, simultaneously (or not), are projected onto the object surface. Thus, this is the 2D fringe projection stage of our proposed Fourier transform procedure to determine the profile of a simple object. PMID:26906374
Fourier transform spectrometer remote sensing of O2 A-band electric quadrupole transitions
NASA Astrophysics Data System (ADS)
Miller, Charles E.; Wunch, Debra
2012-07-01
We observed electric quadrupole transitions in the O2 A-band, b1Σg+←X3Σg-(0,0), in high solar zenith angle atmospheric spectra recorded with the high-resolution solar-viewing Fourier transform spectrometer at Park Falls, WI. We identified 12 ΔN=±3 transitions for the first time, including the first detection of NO-branch transitions and extended the TS-branch observations of Brault [J Mol Spectrosc 1980;80:384-8] up to N″=23. Additionally, we observed six electric quadrupole transitions of the ΔN=-1 PO-branch. These observations demonstrate the excellent sensitivity and long-term stability of the new generation of solar-viewing Fourier transform spectrometers.
Fourier Transform Methods Applied To The Analysis Of Microphotometric Images Of Histologic Sections
NASA Astrophysics Data System (ADS)
Dytch, Harvey E.; Wied, George L.
1989-06-01
Implementation of one-dimensional Fourier transform techniques for the analysis of histologic sections is discussed, as is the motivation for their use. Features of the frequency domain representation derived by such a transform are shown to be related to several important diagnostic clues. The interpretation of the Fourier magnitude spectrum in histologically relevant terms is examined by means of Fourier transforms of idealized tissue simulations. Some of the perturbations of these ideal spectra produced by biologic reality are discussed. Three classic types of cervical epithelial tissue are modeled, and their representation as Fourier magnitude spectra interpreted in the light of the previous results: characteristic frequency domain signatures are obtained for each. It is concluded that these techniques may provide diagnostically important objective measures, and may be applied to otherwise intractable histologic specimens with crowded and overlapping nuclei.
Suppression law of quantum states in a 3D photonic fast Fourier transform chip.
Crespi, Andrea; Osellame, Roberto; Ramponi, Roberta; Bentivegna, Marco; Flamini, Fulvio; Spagnolo, Nicolò; Viggianiello, Niko; Innocenti, Luca; Mataloni, Paolo; Sciarrino, Fabio
2016-01-01
The identification of phenomena able to pinpoint quantum interference is attracting large interest. Indeed, a generalization of the Hong-Ou-Mandel effect valid for any number of photons and optical modes would represent an important leap ahead both from a fundamental perspective and for practical applications, such as certification of photonic quantum devices, whose computational speedup is expected to depend critically on multi-particle interference. Quantum distinctive features have been predicted for many particles injected into multimode interferometers implementing the Fourier transform over the optical modes. Here we develop a scalable approach for the implementation of the fast Fourier transform algorithm using three-dimensional photonic integrated interferometers, fabricated via femtosecond laser writing technique. We observe the suppression law for a large number of output states with four- and eight-mode optical circuits: the experimental results demonstrate genuine quantum interference between the injected photons, thus offering a powerful tool for diagnostic of photonic platforms. PMID:26843135
NASA Astrophysics Data System (ADS)
Fernandez, Sergio; Gdeisat, Munther A.; Salvi, Joaquim; Burton, David
2011-06-01
Fringe pattern analysis in coded structured light constitutes an active field of research. Techniques based on first projecting a sinusoidal pattern and then recovering the phase deviation permit the computation of the phase map and its corresponding depth map, leading to a dense acquisition of the measuring object. Among these techniques, the ones based on time-frequency analysis permit to extract the depth map from a single image, thus having potential applications measuring moving objects. The main techniques are Fourier Transform (FT), Windowed Fourier Transform (WFT) and Wavelet Transform (WT). This paper first analyzes the pros and cons of these three techniques, then a new algorithm for the automatic selection of the window size in WFT is proposed. This algorithm is compared to the traditional WT using adapted mother wavelet signals both with simulated and real objects, showing the performance results for quantitative and qualitative evaluations of the new method.
Suppression law of quantum states in a 3D photonic fast Fourier transform chip
Crespi, Andrea; Osellame, Roberto; Ramponi, Roberta; Bentivegna, Marco; Flamini, Fulvio; Spagnolo, Nicolò; Viggianiello, Niko; Innocenti, Luca; Mataloni, Paolo; Sciarrino, Fabio
2016-01-01
The identification of phenomena able to pinpoint quantum interference is attracting large interest. Indeed, a generalization of the Hong–Ou–Mandel effect valid for any number of photons and optical modes would represent an important leap ahead both from a fundamental perspective and for practical applications, such as certification of photonic quantum devices, whose computational speedup is expected to depend critically on multi-particle interference. Quantum distinctive features have been predicted for many particles injected into multimode interferometers implementing the Fourier transform over the optical modes. Here we develop a scalable approach for the implementation of the fast Fourier transform algorithm using three-dimensional photonic integrated interferometers, fabricated via femtosecond laser writing technique. We observe the suppression law for a large number of output states with four- and eight-mode optical circuits: the experimental results demonstrate genuine quantum interference between the injected photons, thus offering a powerful tool for diagnostic of photonic platforms. PMID:26843135
Outflow boundary conditions for the Fourier transformed three-dimensional Vlasov Maxwell system
NASA Astrophysics Data System (ADS)
Eliasson, B.
2007-08-01
A problem with the solution of the Vlasov equation is its tendency to become filamented/oscillatory in velocity space, which in numerical simulations can give rise to unphysical oscillations and recurrence effects. We present a three-dimensional Vlasov-Maxwell solver (three spatial and velocity dimensions, plus time), in which the Vlasov equation is Fourier transformed in velocity space and the resulting equations solved numerically. By designing absorbing outflow boundary conditions in the Fourier transformed velocity space, the highest Fourier modes in velocity space are removed from the numerical solution. This introduces a dissipative effect in velocity space and the numerical recurrence effect is strongly reduced. The well-posedness of the boundary conditions is proved analytically, while the stability of the numerical implementation is assessed by long-time numerical simulations. Well-known wave-modes in magnetized plasmas are shown to be reproduced by the numerical scheme.
Using single buffers and data reorganization to implement a multi-megasample fast Fourier transform
NASA Technical Reports Server (NTRS)
Brown, R. D.
1992-01-01
Data ordering in large fast Fourier transforms (FFT's) is both conceptually and implementationally difficult. Discribed here is a method of visualizing data orderings as vectors of address bits, which enables the engineer to use more efficient data orderings and reduce double-buffer memory designs. Also detailed are the difficulties and algorithmic solutions involved in FFT lengths up to 4 megasamples (Msamples) and sample rates up to 80 MHz.
Effect of the fringe visibility on spectrum SNR of Fourier transform imaging spectrometer
NASA Astrophysics Data System (ADS)
Wang, Shuang; Bin, Xiangli; Jing, Juanjuan; Pi, Haifeng
2013-08-01
The principle of Fourier transform spectrometer is based on the relationship of Fourier-Transform between interferogram and spectrum. The spectral information of Fourier transform imaging spectrometer (FTIS) reconstructed from raw interferogram by data processing. So there are two kinds of signal-to-noise ratio (SNR) to evaluate instrument performance, one regarding interferogram and the other regarding reconstructed spectrum. Because the raw interferogram is intuitive, the interferogram SNR is studied usually. On the contrary, the spectrum SNR is studied less because of the complexity of the data processing from interferogram to spectrum. The research about the effect of the interference fringe visibility on the spectrum SNR is especially few. This paper present a research work on the relations between the interference fringe visibility and the spectrum SNR. Firstly, the reduction of fringe visibility caused by imaging lens defocus was analyzed. Secondly, the changes of the average spectrum signal and noise caused by the reduction of fringe visibility were calculated. For average spectrum signal, the math deductions are done base on Fourier transform theory. The average noise with different input signal optic-electrons number are simulated. the results show that the average spectrum signal is directly proportional to the fringe visibility, and the effect of fringe visibility on the noise related to signal can be ignorable. Finally, In order to demonstrate above results, the imaging experiment was done with white-light source, using LASIS (Large aperture static imaging spectrometer) based on Sagnac Interferometer. The average spectrum SNRs under different fringe visibility are calculated and analyzed. The experimental results show that: the average spectrum SNRs increase from 42.7 to 62.4.along with the fringe visibility increasing from 0.5051 to 0.687. the reconstructed spectrum SNR is directly proportional to the fringe visibility. As a result, the interferogram
Toney, M.L.
1999-07-01
The purpose of this testing program is to obtain uncontrolled and controlled hydrogen chloride (HCl) and speciated hydrocarbon Hazardous Air Pollutants (HAPs) emissions data from lime production plants to support a national emission standard for hazardous air pollutants (NESHAP). This report presents data from the Fourier Transform Infrared Spectroscopy (FTIR) measurements. FTIR source testing was conducted for the following purposes: Quantify HCl emission levels; and Gather screening (i.e., qualitative) data on other HAP emissions.
Discrete fourier transform (DFT) analysis for applications using iterative transform methods
NASA Technical Reports Server (NTRS)
Dean, Bruce H. (Inventor)
2012-01-01
According to various embodiments, a method is provided for determining aberration data for an optical system. The method comprises collecting a data signal, and generating a pre-transformation algorithm. The data is pre-transformed by multiplying the data with the pre-transformation algorithm. A discrete Fourier transform of the pre-transformed data is performed in an iterative loop. The method further comprises back-transforming the data to generate aberration data.
NASA Astrophysics Data System (ADS)
Kamnev, A. A.; Ristić, M.; Antonyuk, L. P.; Chernyshev, A. V.; Ignatov, V. V.
1997-06-01
The data of Fourier transform infrared (FTIR) spectroscopic measurements performed on intact cells of the soil nitrogen-fixing bacterium Azospirillum brasilense grown in a standard medium and under the conditions of an increased metal uptake are compared and discussed. The structural FTIR information obtained is considered together with atomic absorption spectrometry (AAS) data on the content of metal cations in the bacterial cells. Some methodological aspects concerning preparation of bacterial cell samples for FTIR measurements are also discussed.
Raman spectroscopy of gases with a Fourier transform spectrometer - The spectrum of D2
NASA Technical Reports Server (NTRS)
Jennings, D. E.; Weber, A.; Brault, J. W.
1986-01-01
Fourier transform spectrometry (FTS) is presently used to record the spontaneous incoherent laser Raman spectra of gases. The high resolution, sensitivity, calibration accuracy and spectral coverage achieved demonstrate the viability of FTS for Raman spectroscopy. Attention is given to the coefficients obtained by fitting measurements obtained from the spectrum of D2, containing both v = 0-0 and 1-0 transitions, to the Dunham (1932) expansion of the vibration-rotation energy levels.
Field-of-view analysis of a polarization interference Fourier transform imaging spectrometer.
DeHoog, Edward; Xia, Xiaowei; Parfenov, Alexander; Shih, Min-Yi
2011-09-20
The Fourier transform imaging spectrometer (FTIS) is an important tool for the measurement of spectral information in a scene. Advances in electro-optic crystal systems have led to the advent of the FTIS based on polarization interference filters. The operation of these devices as spectrometers has been well characterized, but the imaging capabilities have yet to be thoroughly explored. We explore the field-of-view limitations that occur when using this particular type of FTIS. PMID:21947057
Ren, Wenyi; Zhang, Chunmin; Jia, Chenling; Mu, Tingkui; Li, Qiwei; Zhang, Lin
2013-04-15
A method was proposed to precisely reconstruct the spectrum from the interferogram taken by the Fourier transform imaging spectrometer (FTIS) based on the polarization beam splitters. Taken the FTISs based on the Savart polariscope and Wollaston prism as examples, the distorted spectrums were corrected via the proposed method effectively. The feasibility of the method was verified via simulation. The distorted spectrum, recovered from the interferogram taken by the polarization imaging spectrometer developed by us, was corrected. PMID:23595463
Multi-dimensional option pricing using radial basis functions and the generalized Fourier transform
NASA Astrophysics Data System (ADS)
Larsson, Elisabeth; Ahlander, Krister; Hall, Andreas
2008-12-01
We show that the generalized Fourier transform can be used for reducing the computational cost and memory requirements of radial basis function methods for multi-dimensional option pricing. We derive a general algorithm, including a transformation of the Black-Scholes equation into the heat equation, that can be used in any number of dimensions. Numerical experiments in two and three dimensions show that the gain is substantial even for small problem sizes. Furthermore, the gain increases with the number of dimensions.
Isotropic Spin Trap EPR Spectra Simulation by Fast Fourier Transform (FFT)
NASA Astrophysics Data System (ADS)
Laachir, S.; Moussetad, M.; Adhiri, R.; Fahli, A.
2005-03-01
The detection and investigation of free radicals forming in living systems became possible due to the introduction of the method of spin traps. In this work, the electron spin resonance (ESR) spectra of DMPO/HO(.) and MGD-Fe-NO adducts are reproduced by simulation, based on the Fast Fourier Transform (FFT). The calculated spectral parameters as the hyperfine coupling constants, agree reasonably with the experimental data and the results are discussed.