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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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A miniature mass spectrometer for hydrazine detection
A Miniature Mass Spectrometer (MMS) with a focal plane (Mattauch-Herzog) geometry has been developed at the Jet Propulsion Laboratory. The MMS has the potential to meet the NASA requirements of 10 parts per billion sensitivity for Hydrazine detection, as well as the requirements for instant response, portability, and low maintenance.
Tropospheric Emission Spectrometer
This slide presentation reviews the use of the Troposhperic Emission Spectrometer (TES) which uses Fourier Transform Spectroscopy to conduct atmospheric science from space on board the Aura spacecraft. The topics are: the Aura mission, mission and instrumentation, the TES instrument, specifications, and the calibration of the instrument.
Advanced Remote-Sensing Imaging Emission Spectrometer (ARIES): AIRS Spectral Resolution with MODIS Spatial Resolution
The Advanced Remote-sensing Imaging Emission Spectrometer (ARIES) will measure a wide range of earth quantities fundamental to the study of global climate change. It will build upon the success of the Moderate Resolution Imaging Spectroradiometer (MODIS) and the Atmospheric Infrared Sounder (AIRS) instruments currently flying on the EOS Aqua Spacecraft. Both instruments are facility instruments for NASA providing data to thousands of scientists investigating land, ocean and atmospheric Earth System processes. ARIES will meet all the requirements of AIRS and MODIS in a single compact instrument, while providing the next-generation capability of improved spatial resolution for AIRS and improved spectral resolution for MODIS.
Creating Reference Neutron Fields for Calibration of Neutron Spectrometers and Computing Their Spectra
We consider the current state of metrological support for neutron spectrometry. We propose a method for creating reference neutron fields with energy spectra of different shapes from radioisotope sources, with the aim of designing a test setup for verification of real-time neutron spectrometers we have developed.
High Mass Ion Detection with Charge Detector Coupled to Rectilinear Ion Trap Mass Spectrometer
Conventional linear ion trap mass analyzers (LIT-MS) provide high ion capacity and show their MS{sup n} ability; however, the detection of high mass ions is still challenging because LIT-MS with secondary electron detectors (SED) cannot detect high mass ions. To detect high mass ions, we coupled a charge detector (CD) to a rectilinear ion trap mass spectrometer (RIT-MS). Immunoglobulin G ions (m/z ~150,000) are measured successfully with controlled ion kinetic energy. In addition, when mass-to-charge (m/z) ratios of singly charged ions exceed 10 kTh, the detection efficiency of CD is found to be greater than that of SED. The CD can be coupled to LIT-MS to extend the detection mass range and provide the potential to perform MS{sup n} of high mass ions inside the ion trap. .
Front-End Electron Transfer Dissociation Coupled to a 21 Tesla FT-ICR Mass Spectrometer for Intact Protein Sequence Analysis
High resolution mass spectrometry is a key technology for in-depth protein characterization. High-field Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) enables high-level interrogation of intact proteins in the most detail to date. However, an appropriate complement of fragmentation technologies must be paired with FTMS to provide comprehensive sequence coverage, as well as characterization of sequence variants, and post-translational modifications. Here we describe the integration of front-end electron transfer dissociation (FETD) with a custom-built 21 tesla FT-ICR mass spectrometer, which yields unprecedented sequence coverage for proteins ranging from 2.8 to 29 kDa, without the need for extensive spectral averaging (e.g., ~60% sequence coverage for apo-myoglobin with four averaged acquisitions). The system is equipped with a multipole storage device separate from the ETD reaction device, which allows accumulation of multiple ETD fragment ion fills. Consequently, an optimally large product ion population is accumulated prior to transfer to the ICR cell for mass analysis, which improves mass spectral signal-to-noise ratio, dynamic range, and scan rate. We find a linear relationship between protein molecular weight and minimum number of ETD reaction fills to achieve optimum sequence coverage, thereby enabling more efficient use of instrument data acquisition time. Finally, real-time scaling of the number of ETD reactions fills during method-based acquisition is shown, and the implications for LC-MS/MS top-down analysis are discussed. .
Gas Flow in the Capillary of the Atmosphere-to-Vacuum Interface of Mass Spectrometers
Numerical simulations of a gas flow through a capillary being a part of mass spectrometer atmospheric interface were performed using a detailed laminar flow model. The simulated interface consisted of atmospheric and forevacuum volumes connected via a thin capillary. The pressure in the forevacuum volume where the gas was expanding after passing through the capillary was varied in the wide range from 10 to 900 mbar in order to study the volume flow rate as well as the other flow parameters as functions of the pressure drop between the atmospheric and forevacuum volumes. The capillary wall temperature was varied in the range from 24 to 150 °C. Numerical integration of the complete system of Navier-Stokes equations for a viscous compressible gas taking into account the heat transfer was performed using the standard gas dynamic simulation software package ANSYS CFX. The simulation results were compared with experimental measurements of gas flow parameters both performed using our experimental setup and taken from the literature. The simulated volume flow rates through the capillary differed no more than by 10% from the measured ones over the entire pressure and temperatures ranges. A conclusion was drawn that the detailed digital laminar model is able to quantitatively describe the measured gas flow rates through the capillaries under conditions considered. .
Improved Miniaturized Linear Ion Trap Mass Spectrometer Using Lithographically Patterned Plates and Tapered Ejection Slit
We present a new two-plate linear ion trap mass spectrometer that overcomes both performance-based and miniaturization-related issues with prior designs. Borosilicate glass substrates are patterned with aluminum electrodes on one side and wire-bonded to printed circuit boards. Ions are trapped in the space between two such plates. Tapered ejection slits in each glass plate eliminate issues with charge build-up within the ejection slit and with blocking of ions that are ejected at off-nominal angles. The tapered slit allows miniaturization of the trap features (electrode size, slit width) needed for further reduction of trap size while allowing the use of substrates that are still thick enough to provide ruggedness during handling, assembly, and in-field applications. Plate spacing was optimized during operation using a motorized translation stage. A scan rate of 2300 Th/s with a sample mixture of toluene and deuterated toluene (D8) and xylenes (a mixture of o-, m-, p-) showed narrowest peak widths of 0.33 Th (FWHM). .
Digital Waveform Technology and the Next Generation of Mass Spectrometers
Ion traps and guides are integral parts of current commercial mass spectrometers. They are currently operated with sinusoidal waveform technology that has been developed over many years. Recently, digital waveform technology has begun to emerge and promises to supplant its older cousin because it presents new capabilities that result from the ability to instantaneously switch the frequency and duty cycle of the waveforms. This manuscript examines these capabilities and reveals their uses and effects on instrumentation. .
Implementation of Precursor and Neutral Loss Scans on a Miniature Ion Trap Mass Spectrometer and Performance Comparison to a Benchtop Linear Ion Trap
Implementation of orthogonal double resonance precursor and neutral loss scans on the Mini 12 miniature rectilinear ion trap mass spectrometer is described, and performance is compared to that of a commercial Thermo linear trap quadropole (LTQ) linear ion trap. The ac frequency scan version of the technique at constant rf voltage is used here because it is operationally much simpler to implement. Remarkably, the Mini 12 shows up to two orders of magnitude higher sensitivity compared to that of the LTQ. Resolution on the LTQ is better than unit at scan speeds of ~ 400 Th/s, whereas peak widths on the Mini 12, on average, range from 0.5 to 2.0 Th full width at half maximum and depend heavily on the precursor ion Mathieu q parameter as well as the pump down time that precedes the mass scan. Both sensitivity and resolution are maximized under higher pressure conditions (short pump down time) on the Mini 12. The effective mass range of the product ion ejection waveform was found to be 5.8 Th on the Mini 12 in the precursor ion scan mode vs. that of 3.9 Th on the LTQ. In the neutral loss scan mode, the product ion selectivity was between 8 and 11 Th on the Mini 12 and between 7 and 8 Th on the LTQ. The effects of nonlinear resonance lines on the Mini 12 were also explored. .
A Mass Spectrometer in Every Fume Hood
Since their inception, mass spectrometers have played a pivotal role in the direction and application of synthetic chemical research. The ability to develop new instrumentation to solve current analytical challenges in this area has always been at the heart of mass spectrometry, although progress has been slow at times. Herein, we briefly review the history of how mass spectrometry has been used to approach challenges in organic chemistry, how new developments in portable instrumentation and ambient ionization have been used to open novel areas of research, and how current techniques have the ability to expand on our knowledge of synthetic mechanisms and kinetics. Lastly, we discuss the relative paucity of work done in recent years to embrace the concept of improving benchtop synthetic chemistry with mass spectrometry, the disconnect between applications and fundamentals within these studies, and what hurdles still need to be overcome. .
Modified Quadrupole Ion Trap Mass Spectrometer for Infrared Ion Spectroscopy: Application to Protonated Thiated Uridines
Modifications to a Paul-type quadrupole ion trap mass spectrometer providing optical access to the trapped ion cloud as well as hardware and software for coupling to a table-top IR optical parametric oscillator laser (OPO) are detailed. Critical experimental parameters for infrared multiple photon dissociation (IRMPD) on this instrument are characterized. IRMPD action spectra, collected in the hydrogen-stretching region with this instrument, complemented by spectra in the IR fingerprint region acquired at the FELIX facility, are employed to characterize the structures of the protonated forms of 2-thiouridine, [s{sup 2}Urd+H]{sup +}, and 4-thiouridine, [s{sup 4}Urd+H]{sup +}. The measured spectra are compared with predicted linear IR spectra calculated at the B3LYP/6-311+G(d,p) level of theory to determine the conformers populated in the experiments. This comparison indicates that thiation at the 2- or 4-positions shifts the protonation preference between the 2,4-H tautomer and 4-protonation in opposite directions versus canonical uridine, which displays a roughly equal preference for the 2,4-H tautomer and O4 protonation. As found for canonical uridine, protonation leads to a mixture of conformers exhibiting C2′-endo and C3′-endo sugar puckering with an anti nucleobase orientation being populated for both 2- and 4-thiated uridine. .
Gas-Phase Chemistry in the GC Orbitrap Mass Spectrometer
Gas-phase reactions of temporally stored ions play a significant role in trapped ion mass spectrometry. Especially highly labile ion species generated through electron ionization (EI) are prone to undergo gas-phase reactions after relaxation to a low vibrational state. Here, we show that in the C-Trap of the Q Exactive GC Orbitrap mass spectrometer, gaseous water reacts with radical cations of various compound classes. High-resolution accurate mass spectrometry of the resulting ions provides a key to the mechanistic understanding of the chemistry of high energetic species generated during EI. We systematically addressed water adduct formation by use of H{sub 2}O and D{sub 2}{sup 18}O in the C-Trap. Mass spectra of halogen cyanides XCN (X=Cl, Br, I) showed the formation of HXCN{sup +} species, indicating hydrogen atomic transfer reactions. Relative ratios of HXCN{sup +}/XCN{sup +•} increased as the electronegativity of the halide increased. The common internal calibrant perfluorotributylamine forms oxygenated products from water reactive fragment ions. These can be explained by the addition of water to an initial cation followed by elimination of two HF molecules. This addition/elimination chemistry can also explain [M+2]{sup +} and [M+3]{sup +} ions that commonly occur in mass spectra of silylated analytes. High-resolution accurate mass spectra of trimethylsilyl (TMS) derivatives revealed these as [M−CH{sub 3}{sup •}+H{sub 2}O]{sup +} and [M−CH{sub 4}+H{sub 2}O]{sup •+}, respectively. This study explains common fragment ions in ion trap mass spectrometry. It also opens up perspectives for the systematic mechanistic and kinetic investigation of high-energy ion reactivity. .
A fast integrated mobility spectrometer for rapid measurement of sub-micrometer aerosol size distribution, Part I: Design and model evaluation
This study discusses, a fast integrated mobility spectrometer (FIMS) was previously developed to characterize submicron aerosol size distributions at a frequency of 1 Hz and with high size resolution and counting statistics. However, the dynamic size range of the FIMS was limited to one decade in particle electrical mobility. It was proposed that the FIMS dynamic size range can be greatly increased by using a spatially varying electric field. This electric field creates regions with drastically different field strengths in the separator, such that particles of a wide diameter range can be simultaneously classified and subsequently measured. A FIMS incorporating this spatially varying electric field is developed. This paper describes the theoretical frame work and numerical simulations of the FIMS with extended dynamic size range, including the spatially varying electric field, particle trajectories, activation of separated particles in the condenser, and the transfer function, transmission efficiency, and mobility resolution. The influences of the particle Brownian motion on FIMS transfer function and mobility resolution are examined. The simulation results indicate that the FIMS incorporating the spatially varying electric field is capable of measuring aerosol size distribution from 8 to 600 nm with high time resolution. As a result, the experimental characterization of the FIMS is presented in an accompanying paper.
A fast integrated mobility spectrometer for rapid measurement of sub-micrometer aerosol size distribution, Part II: Experimental characterization
A Fast Integrated Mobility Spectrometer (FIMS) with a wide dynamic size range has been developed for rapid aerosol size distribution measurements. The design and model evaluation of the FIMS are presented in the preceding paper (Paper I), and this paper focuses on the experimental characterization of the FIMS. Monodisperse aerosol with diameter ranging from 8 to 600 nm was generated using Differential Mobility Analyzer (DMA), and was measured by the FIMS in parallel with a Condensation Particle Counter (CPC). The mean particle diameter measured by the FIMS is in good agreement with the DMA centroid diameter. Comparison of the particle concentrations measured by the FIMS and CPC indicates the FIMS detection efficiency is essentially 100% for particles with diameters of 8 nm or larger. For particles smaller than 20 nm or larger than 200 nm, FIMS transfer function and resolution can be well represented by the calculated ones based on simulated particle trajectories in the FIMS. For particles between 20 and 200 nm, the FIMS transfer function is boarder than the calculated, likely due to non-ideality of the electric field, including edge effects near the end of the electrode, which are not represented by the 2-D electric field used to simulate particle trajectories.
Large size GEM for Super Bigbite Spectrometer (SBS) polarimeter for Hall A 12GeV program at JLab
We report on the R&D effort in the design and construction of a large size GEM chamber for the Proton Polarimeter of the Super Bigbite Spectrometer (SBS) in Hall A at Thomas Jefferson National Laboratory (JLab). The SBS Polarimeter trackers consist of two sets of four large chambers of size 200 cm x 60 cm 2 . Each chamber is a vertical stack of four GEM modules with an active area of 60 cm x 50 cm. We have built and tested several GEM modules and we describe in this paper the design and construction of the final GEM as well as the preliminary results on performances from tests carried out in our detector lab and with test beams at (Fermilab).
The SPIDER fission fragment spectrometer for fission product yield measurements
We developed the SPectrometer for Ion DEtermination in fission Research (SPIDER) for measuring mass yield distributions of fission products from spontaneous and neutron-induced fission. The 2E–2v method of measuring the kinetic energy (E) and velocity (v) of both outgoing fission products has been utilized, with the goal of measuring the mass of the fission products with an average resolution of 1 atomic mass unit (amu). Moreover, the SPIDER instrument, consisting of detector components for time-of-flight, trajectory, and energy measurements, has been assembled and tested using 229 Th and 252 Cf radioactive decay sources. For commissioning, the fully assembled system measured fission products from spontaneous fission of 252 Cf. Individual measurement resolutions were met for time-of-flight (250 ps FWHM), spacial resolution (2 mm FHWM), and energy (92 keV FWHM for 8.376 MeV). Finally, these mass yield results measured from 252 Cf spontaneous fission products are reported from an E–v measurement.