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NASA NTRSDate not supplied

PACE OCI Pre-launch ETU Spectral Characterization and Performance

The Ocean Color Instrument (OCI) is the primary sensor on the upcoming Plankton, Aerosol, Cloud ocean Ecosystem (PACE) mission. OCI is a new type of sensor compared to NASA’s ocean color heritage sensors VIIRS, MODIS, and SeaWiFs. Unlike its heritage sensors, OCI has two slit grating hyperspectral spectrographs in addition to a fiber-coupled multiband filter spectrograph. The two hyperspectral spectrographs provide continuous coverage from 340nm to 885nm in the UV to NIR range. These spectrographs use programmable CCD detectors that aggregate multiple CCD pixels that can effectively provide various spectral resolutions. The fiber-coupled multiband filter spectrograph provides seven discrete spectral bands from 940nm to 2260nm. OCI completed system level testing of the Engineering Test Unit (ETU) in June 2021 at the Goddard Space Flight Center (GSFC). The ETU contains one of the slit grating spectrographs (600nm to 885nm) and the fiber-coupled spectrograph. The ETU was tested in thermal vacuum (TVAC) in February 2020 and January 2021 to assess characterization and performance compliance to design requirements. This paper presents an overview of the spectral performance of the OCI ETU for relative spectral response (RSR), integrated Out-of-Band response (IOOB), system gain, band centers, and bandwidths.

PACE↗
NASA NTRS2011

Estimating Contrail Climate Effects from Satellite Data

An automated contrail detection algorithm (CDA) is developed to exploit six of the infrared channels on the 1-km MODerate-resolution Imaging Spectroradiometer (MODIS) on the Terra and Aqua satellites. The CDA is refined and balanced using visual error analysis. It is applied to MODIS data taken by Terra and Aqua over the United States during 2006 and 2008. The results are consistent with flight track data, but differ markedly from earlier analyses. Contrail coverage is a factor of 4 less than other retrievals and the retrieved contrail optical depths and radiative forcing are smaller by approx.30%. The discrepancies appear to be due to the inability to detect wider, older contrails that comprise a significant amount of the contrail coverage. An example of applying the algorithm to MODIS data over the entire Northern Hemisphere is also presented. Overestimates of contrail coverage are apparent in some tropical regions. Methods for improving the algorithm are discussed and are to be implemented before analyzing large amounts of Northern Hemisphere data. The results should be valuable for guiding and validating climate models seeking to account for aviation effects on climate.

Minnis, Patrick↗
NASA NTRS2020

The Evolution of Lidar Networks: A US Perspective

Atmospheric aerosols and clouds play an important role in climate by directly scattering and absorbing sunlight. Aerosol-cloud interactions modify the particle properties causing indirect effects, alter aerosol deposition and rainfall, and contribute substantially to the uncertainties in predicting climate effects. Aerosols also affect air quality and both constituents modulate boundary layer dynamics to a certain extent, in turn impacting aerosol transport and aerosol-cloud interactions. The spatiotemporal distribution of aerosol and cloud layers is thus important, and lidar remains the primary instrument for determining the vertical distribution of aerosols and thin clouds. Lidar still provides important information for opaque cloud layers by determining base heights. Combined lidar and radar data provide a comprehensive coverage of aerosol and cloud vertical distributions, and thus locations where and when they interact. Lidar data provide a means of constraining column aerosol loading observations (e.g. AOD) to vertical extents. In addition, lidar has proven effective at determining a proxy for boundary layer height by examining aerosol gradients and/or cloud base heights in lidar profiles. Polarized lidars provide additional information on particle shape, allowing estimates of cloud phase and separation of dust or smoke from sulfate and sea salt aerosols. Given the importance of lidar observations and a critical maturation in technology and retrieval techniques, several organizations began to build operational lidar networks around 2000. The European Aerosol Research Lidar Network (EARLINET) was started as a research focused network of advanced lidars across Europe. The Asian Dust Lidar Network (ADNET) was also developed as a regional network providing lidar profiles of dust and pollution across Eastern Asia. In the US, the NASA Micro Pulse Lidar Network (MPLNET) was created to provide global lidar profiling at key sites in the NASA Aerosol Robotic Network (AERONET). The Network for the Detection of Atmospheric Composition Change (NDACC) pre-dates these networks and many sites have lidar, but it is not strictly a lidar network and at the time focused less on the lower troposphere. Finally, there were already existing ceilometer networks operated by various meteorological agencies, but in particular here in the US the profile data has not been available. The ceilometer networks were used to provide only clouds base heights and estimates of PBL height. Thus, the distinguishing feature between lidar and ceilometer networks was historically the ability to actually provide profile information (in addition to differences in wavelength, and advanced retrievals such as the raman technique). As time progressed, each lidar network matured and developed more operational capabilities and data sets, coupled with viable data centers providing DAAC services and access to near-real-time (NRT) data. In 2008 under WMO guidance, the Global Atmospheric Watch (GAW) Aerosol Lidar Observation Network (GALION) was formed as a global network made up of the existing lidar networks. The goal was to share information, best practices, and develop frameworks and techniques for quality data. GALION grew to include several other regional lidar networks and this has led to a vast increase in quality lidar sites worldwide.

Welton, Ellsworth J.↗
NASA NTRS2016

Virtual Flight Demonstration of the Stratospheric Dual-Aircraft Platform

A baseline configuration for the dual-aircraft platform (DAP) concept is described and evaluated in a physics-based flight dynamics simulations for two month-long missions as a communications relay in the lower stratosphere above central Florida, within 150-miles of downtown Orlando.The DAP configuration features two large glider-like (130 ft wing span) unmanned aerial vehicles connected via a long adjustable cable (total extendible length of 3000 ft) which effectively sail without propulsion using available wind shear. Use of onboard LiDAR wind profilers to forecast wind distributions are found to be necessary to enable the platform to efficiently adjust flight conditions to remain sailing by finding sufficient wind shear across the platform. The aircraft derive power from solar cells, like a conventional solar aircraft, but also extract wind power using the propeller as a turbine when there is an excess of wind shear available.Month-long atmospheric profiles (at 3-5 min intervals) in the vicinity of 60,000-ft are derived from archived data measured by the 50-Mhz Doppler Radar Wind Profiler at Cape Canaveral and used in the DAP flight simulations. A cursory evaluation of these datasets show that sufficient wind shear for DAP sailing is persistent, suggesting that DAP could potentially sail over 90% of the month-long durations even when limited by modest ascent/descent rates.DAP's novel guidance software uses a non-linear constrained optimization technique to define waypoints such that sailing mode of flight is maintained where possible, and minimal thrust is required where sailing is not practical. A set of constraints are identified which result in waypoints that enable efficient flight (i.e., minimal use of propulsion) over the two month-long flight simulations. Waypoint solutions may need to be tabulated for a wide range of potential atmospheric conditions and stored onboard for quick retrieval on a real DAP.DAP's flight control software uses an unconventional mixture of spacecraft and aircraft control techniques. Flight simulations confirms that this controls approach enables the platform to consistently reach successive waypoints over the month-long flight simulations.The ability of DAP to transition between the sailing mode (i.e., cable tension is high) and standard formation flight (i.e., cable tension is low) is a vital capability (e.g., to enable intermittent turns while stationkeeping). A new method to perform these transitions has been identified and characterized with flight simulation which requires special aircraft modifications.The energy-usage of the DAP configuration during two month-long stationkeeping missions over central Florida (i.e., stationkeeping over Orlando) is evaluated and compared to that of a pure solar aircraft of the same weight and aerodynamic performance. DAP is shown to consistently reduce net propulsion usage while simultaneously increasing solar energy capture.A baseline 700 GHz communications system is described and its performance evaluated for the proposed mission over central Florida. It is found that the variable roll orientation of the aircraft would increase the power required to maintain coverage over the stationkeeping radius of 150 miles (e.g., by as much as 100% when DAP is 150 miles from Orlando), compared to level flight. This effect can be mitigated via additional antenna design complexity or a more restricted stationkeeping radius.

Demonstrations↗
NASA NTRS2000

Discriminating Type 1a and 1b PSCs in Satellite Data

We explore the use of satellite observations in discriminating types of PSCs and their ramifications. Polar Stratospheric Clouds (PSCs), which form in the winter polar vortex, have been identified as effecting ozone loss. One major result from the recent SOLVE mission is in-situ evidence of the existence of very large particles that contain nitric acid. These particles are consistent with Type la PSCs. The significance of this finding is that these large particles will have appreciable sedimentation velocities, taking nitric acid out of the stratospheric regions, causing denitrification. Since nitric acid typically mitigates ozone loss, denitrification leads to increased ozone loss. Type lb PSCs are smaller and do not sediment to any appreciable degree. Satellite measurements are made continuously throughout the winter, and offer more global coverage than in situ measurements. Thus, it would very useful to be able to discriminate PSC types from satellite measurements. Our long-term goals are to better understand the formation mechanisms and effects of PSCs. Discriminating PSC type using satellite data will give us a very important tool in this effort. A multi-wavelength analysis of POAM aerosol extinction during SOLVE has revealed differences in the radiative characteristics of PSC events. We explore the use of POAM observations to discriminate between Type la and lb Pscs. A trajectory model is used to simulate PSC la and lb particles. Calculated radiative properties act as a guide for discriminating the satellite occultation measurements. Aircraft based PSC observations are-used as confirmation of these observations.

Strawa, Anthony W.↗
NASA NTRS1991

Reusable Reentry Satellite (RRS): Telemetry, Tracking, and Command (TT/C) Coverage Tradeoff Study

The Reusable Reentry Satellite (RRS) Telemetry, Tracking & Command (TT&C) Coverage Tradeoff Study described herein was performed during Part 1 of the RRS Phase B contract. This report is one of several that describes the results of various trade studies performed to arrive at a recommended design for the RRS satellite system. The overall RRS Phase B Study objective is to design a relatively inexpensive satellite to access space for extended periods of time, with eventual recovery of experiments on Earth. The RRS will be capable of: (1) being launched by a variety of expendable launch vehicles; (2) operating in low earth orbit as a free flying unmanned laboratory; and (3) executing an independent atmospheric reentry and soft landing. The RRS will be designed to be refurbished and reused up to three times a year for a period of 10 years. The expected principal use for such a system is research on the effects of variable gravity (0 to 1.5 g) and radiation on small animals, plants, lower life forms, tissue samples, and materials processes. This Summary Report provides a description of the RRS Telemetry, Tracking & Command Analysis performed to study the ground station coverage available to meet RRS requirements. Concepts were considered that used off-the-shelf technology, had generous margins of capability, and high reliability, were easily maintained, cost effective, and were compatible with existing support networks. From this study, a recommended RRS TT&C configuration will be developed.

Source record↗
DOE OSTI2024

Challenges of COVID-19 Case Forecasting in the US, 2020–2021

During the COVID-19 pandemic, forecasting COVID-19 trends to support planning and response was a priority for scientists and decision makers alike. In the United States, COVID-19 forecasting was coordinated by a large group of universities, companies, and government entities led by the Centers for Disease Control and Prevention and the US COVID-19 Forecast Hub ( https://covid19forecasthub.org ). We evaluated approximately 9.7 million forecasts of weekly state-level COVID-19 cases for predictions 1–4 weeks into the future submitted by 24 teams from August 2020 to December 2021. We assessed coverage of central prediction intervals and weighted interval scores (WIS), adjusting for missing forecasts relative to a baseline forecast, and used a Gaussian generalized estimating equation (GEE) model to evaluate differences in skill across epidemic phases that were defined by the effective reproduction number. Overall, we found high variation in skill across individual models, with ensemble-based forecasts outperforming other approaches. Forecast skill relative to the baseline was generally higher for larger jurisdictions (e.g., states compared to counties). Over time, forecasts generally performed worst in periods of rapid changes in reported cases (either in increasing or decreasing epidemic phases) with 95% prediction interval coverage dropping below 50% during the growth phases of the winter 2020, Delta, and Omicron waves. Ideally, case forecasts could serve as a leading indicator of changes in transmission dynamics. However, while most COVID-19 case forecasts outperformed a naïve baseline model, even the most accurate case forecasts were unreliable in key phases. Further research could improve forecasts of leading indicators, like COVID-19 cases, by leveraging additional real-time data, addressing performance across phases, improving the characterization of forecast confidence, and ensuring that forecasts were coherent across spatial scales. In the meantime, it is critical for forecast users to appreciate current limitations and use a broad set of indicators to inform pandemic-related decision making.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Building the case for forward muon detection at a muon collider

We survey the opportunities offered by the detection of the forward muons that accompany the creation of neutral effective vector bosons at a muon collider, in different kinematic regimes. Vectors with relatively low energy produce the Higgs boson and the extended muon angular coverage enables studies of the Higgs properties, such as the measurement of the inclusive production cross section and the branching ratio to invisible final states. New heavy particles could be produced by vectors of higher energy, through Higgs portal interactions. If the new particles are invisible, the detection of the forward muons is essential in order to search for this scenario. The angular correlations of the forward muons are sensitive to the quantum interference between the vector-boson helicity amplitudes and can be exploited for the characterization of vector-boson scattering and fusion processes. This is illustrated by analyzing the C P properties of the Higgs coupling to the Z boson. Our findings provide a physics case and a set of benchmarks for the design of a dedicated forward muon detector. Published by the American Physical Society 2025

Ruhdorfer, Maximilian (ORCID:0000000288973223)↗
NASA NTRS1978

A review of applications of microwave radiometry to oceanography

Following a review of the essential physics of microwave radiative transfer, oceanographic applications of this background physics are discussed using data from electrically scanning microwave radiometers on the Nimbus 5 and 6 satellites operating at 1.55-cm and 8-mm wavelengths, respectively. These data are interpreted in terms of rain rate, ice coverage, and first-year versus multiyear ice determination. It is shown that multifrequency radiometer measurements make it possible to separate the surface and atmospheric effects and to obtain useful measurements of sea surface temperature, surface wind speed, and atmospheric parameters along with improved measurements of rain and ice.

Wilheit, T. T., Jr.↗
NASA NTRS1988

The Hubble Space Telescope high speed photometer

The Hubble Space Telescope will provide the opportunity to perform precise astronomical photometry above the disturbing effects of the atmosphere. The High Speed Photometer is designed to provide the observatory with a stable, precise photometer with wide dynamic range, broad wavelenth coverage, time resolution in the microsecond region, and polarimetric capability. Here, the scientific requirements for the instrument are examined, the unique design features of the photometer are explored, and the improvements to be expected over the performance of ground-based instruments are projected.

Vancitters, G. W., Jr.↗
NASA NTRS1990

Global trends

Measuring trends in ozone, and most other geophysical variables, requires that a small systematic change with time be determined from signals that have large periodic and aperiodic variations. Their time scales range from the day-to-day changes due to atmospheric motions through seasonal and annual variations to 11 year cycles resulting from changes in the sun UV output. Because of the magnitude of all of these variations is not well known and highly variable, it is necessary to measure over more than one period of the variations to remove their effects. This means that at least 2 or more times the 11 year sunspot cycle. Thus, the first requirement is for a long term data record. The second related requirement is that the record be consistent. A third requirement is for reasonable global sampling, to ensure that the effects are representative of the entire Earth. The various observational methods relevant to trend detection are reviewed to characterize their quality and time and space coverage. Available data are then examined for long term trends or recent changes in ozone total content and vertical distribution, as well as related parameters such as stratospheric temperature, source gases and aerosols.

Megie, G.↗
NASA NTRS1994

How well was total ozone abundance inferred with Mariner 9?

Ozone is a key to understanding atmospheric chemistry on Mars. Over 20 photochemical models of the martian atmosphere have been published, and O3 is often used as a benchmark for these models. O3 abundance has been inferred from instrumentation on several spacecraft, with the most complete coverage provided by Mariner 9. The Mariner 9 UV spectrometer scanned from 2100 to 3500 Angstroms with a spectral resolution of 15 Angstroms and an effective field-of-view of approximately 300 sq km. The only atmospheric absorption in the 2000 to 3000 A wavelength region was previously assumed to come from the Hartley band system of ozone, which has an opacity of order unity at winter polar latitudes. Therefore, the amount of ozone was inferred by fitting this absorption feature with laboratory data of ozone absorption. Mars O3 shows strong seasonal and latitudinal variation, with column abundances ranging from 0.2 micron-atm at equatorial latitudes to 60 micron-atm over northern winter polar latitudes (1 micron-atm is a column abundance of 2.689 x 10 exp 15 molecules cm(exp -2)). However, the O3 abundance is never great enough to significantly affect atmospheric temperatures or surface temperatures and frost amounts. Some of the previously-inferred O3 abundances are shown. A radiative transfer computer model is used to re-examine the Mariner 9 UV spectra. Assuming a constant mixing ratio for O3 and no chemical or radiative interaction between O3 and clouds/dust, it is shown that when typical amounts of dust and cloud are present that significant underestimation of O3 abundance occurs. A factor of 3 times as much O3 is needed to generate the same spectrum the spacecraft would measure for a cloudy, dusty atmosphere as for a clear atmosphere. If the scattering properties of martian clouds and dust were well known, then their appearance would not be a problem, as a model would be capable of retrieving the O3 abundance. However, these properties are not well known, which raises doubts about the effectiveness of the UV reflectance spectroscopy technique for measuring O3 abundance on Mars.

Lindner, Bernhard Lee↗
NASA NTRS2004

Estimating Antarctic Near-Surface Magnetic Anomalies from Oersted and CHAMP Satellite Magnetometer Observations

Significant improvement in predicting near-surface magnetic anomalies can result from the highly accurate magnetic observations of the CHAMP satellite that is orbiting at about 400 km altitude. In general, regional magnetic signals of the crust are strongly masked by the core field and its secular variations due to wavelength coupling in the spherical harmonic representation and thus are difficult to isolate in the satellite measurements. However, efforts to isolate the regional lithospheric from core field components can exploit the correlations between the CHAMP magnetic anomalies and the pseudo magnetic effects inferred from gravity-derived crustal thickness variations. In addition, we can use spectral correlation theory to filter the static lithospheric field components from the dynamic external field effects. Employing these procedures, we processed the CHAMP magnetic conservations for an improved magnetic anomaly map of the Antarctic crust. Relative to the much higher altitude Oersted and noisier Magsat observations, CHAMP magnetic anomalies at 400 km altitude reveal new details on the effects of intra-crustal magnetic features and crustal thickness variations of the Antarctic. Moreover, these results greatly facilitate predicting magnetic anomalies in the regional coverage gaps of the ADMAP compilation of Antarctic magnetic anomalies from shipborne, airborne and ground surveys. Our analysis suggests that considerable new insights on the magnetic properties of the lithosphere may be revealed by a further order-of-magnitude improvement in the accuracy of the magnetometer.

vonFrese, Ralph R. B.↗
NASA NTRS2015

Quantifying Mapping Orbit Performance in the Vicinity of Primitive Bodies

Predicting and quantifying the capability of mapping orbits in the vicinity of primitive bodies is challenging given the complex orbit geometries that exist and the irregular shape of the bodies themselves. This paper employs various quantitative metrics to characterize the performance and relative effectiveness of various types of mapping orbits including terminator, quasi-terminator, hovering, pingpong, and conic-like trajectories. Metrics of interest include surface area coverage, lighting conditions, and the variety of viewing angles achieved. The metrics discussed in this investigation are intended to enable mission designers and project stakeholders to better characterize candidate mapping orbits during preliminary mission formulation activities.The goal of this investigation is to understand the trade space associated with carrying out remotesensing campaigns at small primitive bodies in the context of a robotic space mission. Specifically,this study seeks to understand the surface viewing geometries, ranges, etc. that are available fromseveral commonly proposed mapping orbits architectures.

Pavlak, Thomas A.↗
NASA NTRS2015

Crosscutting Airborne Remote Sensing Technologies for Oil and Gas and Earth Science Applications

Airborne imaging spectroscopy has evolved dramatically since the 1980s as a robust remote sensing technique used to generate 2-dimensional maps of surface properties over large spatial areas. Traditional applications for passive airborne imaging spectroscopy include interrogation of surface composition, such as mapping of vegetation diversity and surface geological composition. Two recent applications are particularly relevant to the needs of both the oil and gas as well as government sectors: quantification of surficial hydrocarbon thickness in aquatic environments and mapping atmospheric greenhouse gas components. These techniques provide valuable capabilities for petroleum seepage in addition to detection and quantification of fugitive emissions. New empirical data that provides insight into the source strength of anthropogenic methane will be reviewed, with particular emphasis on the evolving constraints enabled by new methane remote sensing techniques. Contemporary studies attribute high-strength point sources as significantly contributing to the national methane inventory and underscore the need for high performance remote sensing technologies that provide quantitative leak detection. Imaging sensors that map spatial distributions of methane anomalies provide effective techniques to detect, localize, and quantify fugitive leaks. Airborne remote sensing instruments provide the unique combination of high spatial resolution (<1 m) and large coverage required to directly attribute methane emissions to individual emission sources. This capability cannot currently be achieved using spaceborne sensors. In this study, results from recent NASA remote sensing field experiments focused on point-source leak detection, will be highlighted. This includes existing quantitative capabilities for oil and methane using state-of-the-art airborne remote sensing instruments. While these capabilities are of interest to NASA for assessment of environmental impact and global climate change, industry similarly seeks to detect and localize leaks of both oil and methane across operating fields. In some cases, higher sensitivities desired for upstream and downstream applications can only be provided by new airborne remote sensing instruments tailored specifically for a given application. There exists a unique opportunity for alignment of efforts between commercial and government sectors to advance the next generation of instruments to provide more sensitive leak detection capabilities, including those for quantitative source strength determination.

hyperspectral↗
NASA NTRS2020

2SXPS: An Improved and Expanded Swift X-Ray Telescope Point-source Catalog

We present the 2SXPS (Swift-XRT Point Source) catalog, containing 206,335 point sources detected by the Swift X-ray Telescope (XRT) in the 0.3–10 keV energy range. This catalog represents a significant improvement over 1SXPS, with double the sky coverage (now 3790 deg2), and several significant developments in source detection and classification. In particular, we present for the first time techniques to model the effect of stray light—significantly reducing the number of spurious sources detected. These techniques will be very important for future, large effective area X-ray missions, such as the forthcoming Athena X-ray observatory. We also present a new model of the XRT point-spread function and a method for correctly localizing and characterizing piled-up sources. We provide light curves—in four energy bands, two hardness ratios, and two binning timescales—for every source, and from these deduce that over 80,000 of the sources in 2SXPS are variable in at least one band or hardness ratio. The catalog data can be queried or downloaded via a web interface at https://www.swift.ac.uk/2SXPS, via HEASARC, or in Vizier (IX/58).

Catalogs↗
NASA NTRS1994

Cluster evolution and microwave source counts

We present the modeled counts for the expected Sunyaev-Zel'dovich microwave sources associated with clusters of galaxies, predicted for experiments with arcminute-scale spatial resolution, assuming self-similar cluster evolution, for different spectra of the primordial density fluctuations and values of the cosmological density parameter Omega. Our simulations show that the source counts should be a powerful test of the evolution of very high redshift clusters. Experiments with 1 - 2 min spatial resolution, with moderate sensitivity but covering a large area of the sky, would be most effective for studying the SZ source population. Recent arcminute-scale radio experiments, the Owens Valley Radio Observatory (OVRO) RING experiment and VLA deep imaging, achieved sensitivity and sky coverage close to that needed for the detection of negative sources associated with very distant clusters. From the absence of cluster detections in these experiments, we rule out, with 90% confidence, models with Omega less than 0.3 and n = +1 as predicting too many bright sources; or there is no hot gas in clusters more distant than z(sub max) = 5 in such models. If the single negative source detected in the RING experiment is a distant cluster, the Omega = 1, n = -2 model also may be ruled out as it predicts too few sources. The new generation of telescopes, including the new SUZIE and Ryle instruments, will soon be able to detect distant clusters. The cluster population in the past has been modeled by scaling the observed present-day sample of X-ray clusters back to high redshifts, an approach which makes the best use of the observed cluster gas parameters, and makes the simulations robust to the assumed evolution at very early epochs. Although the pure self-similar model may be incompatible with the variety of observed evolutionary effects, we show that reasonable modifications to the intracluster gas history in that model, proposed to reconcile the self-similar evolution of cluster mass and the observed evolution of their X-ray luminosity, do not considerably change our microwave predictions made using the pure self-similar model. That is, the results of our simulations are applicable to the wide class of evolutionary models in which the cluster gas mass times gas temperature evolves as the dark mass times cluster virial temperature.

Markevitch, M.↗
DOE OSTI2026

Data for Selected Ion Monitoring for Orbitrap-Based Metabolomics

Orbitrap mass spectrometry in full scan mode enables the simultaneous detection of hundreds of metabolites and their isotope-labeled forms. Yet, sensitivity remains limiting for many metabolites, including low-concentration species, poor ionizers, and low-fractional-abundance isotope-labeled forms in isotope-tracing studies. Here, we explore selected ion monitoring (SIM) as a means of sensitivity enhancement. The analytes of interest are enriched in the orbitrap analyzer by using the quadrupole as a mass filter to select particular ions. In tissue extracts, SIM significantly enhances the detection of ions of low intensity, as indicated by improved signal-to-noise (S/N) ratios and measurement precision. In addition, SIM improves the accuracy of isotope-ratio measurements. SIM, however, must be deployed with care, as excessive accumulation in the orbitrap of similar m/z ions can lead, via space-charge effects, to decreased performance (signal loss, mass shift, and ion coalescence). Ion accumulation can be controlled by adjusting settings including injection time and target ion quantity. Overall, we suggest using a full scan to ensure broad metabolic coverage, in tandem with SIM, for the accurate quantitation of targeted low-intensity ions, and provide methods deploying this approach to enhance metabolome coverage.f

Mass Spectrometry↗