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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Evolution of Mass Spectrometers for High m / z Biological Ion Formation, Transmission, Analysis and Detection: A Personal Perspective

Mass spectrometry (MS) has become an essential tool in virtually all academic, pharmaceutical, and biopharmaceutical analytical laboratories. The specialized and bespoke area of MS research and application of high m / z ion (> m / z 6000 and high mass, >150 kDa) formation, transmission, analysis, and detection is a relatively new area of focus for MS that has seen dramatic acceleration in interest over the last two decades. Herein we delve into this exciting aspect of MS, discussing how MS instrumentation has been refined and evolved for native-MS analysis. We cover the early groundbreaking experiments showing high m / z ion formation, transmission, and preservation of protein structure in the gas phase. Additionally, we discuss specific instrument optimizations and modifications that have advanced high m / z ion generation, transmission, analysis, and detection, contributing to the research area known as gas-phase structural biology. Native-MS sample introduction methods, emerging technologies, and future perspectives are also examined. Finally, we share personal opinions, observations, and experiences that are new to the community or previously unpublished.

collisions↗
DOE OSTI2022

PIONEER, a high-resolution single-crystal polarized neutron diffractometer

PIONEER is a high Q-resolution, single-crystal, polarized neutron diffractometer at the Second Target Station (STS), Oak Ridge National Laboratory. It will provide the unprecedented capability of measuring tiny crystals (0.001 mm 3 , i.e., x-ray diffraction size), ultra-thin films (10 nm thickness), and weak structural and magnetic transitions. PIONEER benefits from the increased peak brightness of STS cold-neutron sources and uses advanced Montel mirrors that are able to deliver a focused beam with a high brilliance transfer, a homogeneous profile, and a low background. Monte Carlo simulations suggest that the optimized instrument has a high theoretical peak brilliance of 2.9 × 10 12 n cm -2 sr -1 Å -1 s -1 at 2.5 Å at the sample position, within a 5 × 5 mm 2 region and a ±0.3° divergence range. The moderator-to-sample distance is 60 m, providing a nominal wavelength band of 4.3 Å with a wavelength resolution better than 0.2% in the wavelength range of 1.0–6.0 Å. PIONEER is capable of characterizing large-scale periodic structures up to 200 Å. With a sample-to-detector distance of 0.8 m, PIONEER accommodates various sample environments, including low/high temperature, high pressure, and high magnetic/electric field. Additionally, a large cylindrical detector array (4.0 sr) with a radial collimator is planned to suppress the background scattering from sample environments. Bottom detector banks provide an additional 0.4 sr coverage or can be removed if needed to accommodate special sample environments. We present virtual experimental results to demonstrate the scientific performance of PIONEER in measuring tiny samples.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Site and endmember spectra of terrestrial vegetation and soils for the Colorado Headwaters Ecological Spectroscopy Study, June-July 2025

This dataset provides site and endmember spectra collected during the 2025 Colorado Headwaters Ecological Spectroscopy Study (CHESS) campaign. The site spectra were collected to help validate airborne hyperspectral data acquired by the National Ecological Observatory Network's aerial observation platform (NEON AOP). Endmember spectra were collected to augment existing spectral libraries with additional samples of bare surfaces and non-photosynthetic vegetation. All measurements were acquired with an Analytical Spectral Devices (ASD) FieldSpec4 Hi-Res NG (Next Generation) spectroradiometer, which records radiance at 1nm (nanometer) intervals from the ultraviolet to the short-wave infrared (350-2500 nm). The dataset includes spectra measured at meadow sites where the CHESS team also collected vegetation samples for trait analyses. The site spectra were collected with the ASD FieldSpec4 palm grip attachment using an 8° field-of-view foreoptic. Site spectra are integrated measurements of the entire surface within the foreoptic’s field of view. For site-level spectra, the sun is the illumination source. A Spectralon panel mounted on a tripod was used for instrument optimization and white reference measurements for all site spectra. Site spectra were acquired within two hours of solar noon and within 48 hours of a NEON AOP overflight. Site spectra are labeled by date, sampling area, and site number according to the naming conventions of the CHESS campaign’s data management plan. The dataset also contains endmember spectra in the following categories: photosynthetic vegetation (PV), non-photosynthetic vegetation (NPV), bare (soil/rock), and flowers. Endmember measurements were acquired using either the contact probe or the leaf clip attachments of the ASD FieldSpec4. In these configurations, the bulb inside the spectrometer provides the light source for the measurements. The spectrometer was optimized and white reference measurements were recorded using the circular white pucks attached to the contact probe and leaf clip. Because they do not rely on solar illumination, contact probe and leaf clip measurements were collected during a broader time frame than the palm grip site spectra. Some endmembers were measured at CHESS meadow sites, while others were collected within the larger sampling area or in nearby locations (e.g. Gothic Townsite) with similar characteristics. Radiance, reflectance, and metadata files are split into three subfolders according to measurement type: proximal/palm grip (prx), contact probe (cp), and leaf clip (lc). Radiance spectra are provided in ASD file format (.asd file extension). All ASD files can be opened using the provided scripts. Metadata is provided in two formats: CSV file format (no geolocation) and GEOJSON file format (includes geolocation for each spectra). The dataset includes a set of pre-processed reflectance spectra as CSV files (yyyymmdd_rfl.csv). The python scripts and jupyter notebook used to calculate reflectance spectra from the ASD radiance data is included here and was previously published at: https://doi.org/10.3334/ORNLDAAC/2446. There is also a folder of JPEG photographs corresponding to selected spectra. We include a protocol document with detailed steps for ASD FieldSpec4 assembly and operations. This data additionally contains a file level metadata (flmd.csv) and data dictionary (dd.csv) file. Geospatial information: Geospatial data for mapping measurement site locations are in the files CHESS_polygons_lai_UTM.geojson, CHESS_polygons_shrub_UTM.geojson, and CHESS_polygons_meadow_UTM.geojson in the companion geospatial package for the 2025 CHESS campaign, ‘CHESS 2025: Location data for field observations and sampling’ (Henderson et al., 2026). CHESS Project Description: The Colorado Headwaters Ecological Spectroscopy Study (CHESS) comprised a multi-week airborne remote sensing and field observation campaign in the Upper Gunnison Basin, Colorado, conducted in June and July of 2025. Airborne remote sensing was conducted by the National Ecological Observatory Network Airborne Observation Platform (NEON AOP), concurrent with a field campaign run by the Rocky Mountain Biological Laboratory (RMBL), the Lawrence Berkeley National Laboratory (LBNL) and SLAC National Accelerator Laboratory Watershed Function Science Focus Area (SFA), and NASA-JPL (Jet Propulsion Laboratory) Earth Surface Mineral Dust Source Investigation (EMIT) program. Between June 10 and July 18, 2025, the NEON AOP flight team collected high-resolution aerial imaging spectroscopy and Light Detection and Ranging (LiDAR) data over three domains: the Upper East River (CRBU), Almont Triangle (ALMO), and the Upper Taylor Basin (UPTA). In coordination with the flights, a field campaign acquired ground-truth observations, including observations of vegetation composition, foliar traits, forest demography, and subsurface properties in 18 core sampling areas within the domains. Additional surface water observations were taken at over 380 point locations. All CHESS campaign datasets can be found within the CHESS ESS-DIVE data portal: https://data.ess-dive.lbl.gov/portals/chess. Funding Acknowledgment: This research was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under a contract with the National Aeronautics and Space Administration (80NM0018D0004) and was funded by EMIT Extended Mission Phase E Science.

2018 NEON and 2025 CHESS Campaigns↗
DOE OSTI2023

Second Target Station Project: LANSCE WNR Target 2 (Blue Room) Experiment 2022

The Second Target Station (STS) at SNS will address emerging scientific challenges by providing a source of intense, cold neutrons to instruments optimized for this source, using rotating, tungsten target blocks. The STS target will receive 1.3 GeV proton beam pulses from the SNS accelerator at a repetition rate of 15 Hz. The facility life is planned for 40 years, and each target assembly life is expected to be approximately 10 years. An accurate strain prediction is then critical for fatigue life assessment of STS target blocks because they will be subject to approximately 108 beam pulses per lifetime. As an R&D activity, the LANSCE WNR Target 2 (blue room) facility was used to test the strain response of prototypical target blocks to the thermal shock of a proton pulse. The blue room was well suited for a pulsed proton beam impact test of subscale STS target blocks; the 800 MeV proton energy is approximately 60% of the 1.3 GeV proton energy expected from the SNS accelerator to the STS. Both the LANSCE Proton Storage Ring (PSR) and SNS are short-pulse proton beam sources with nominal pulse widths of 250 ns and 661 ns, respectively, so the energy deposition in the target occurs in < 1 microsecond pulse duration.

43 PARTICLE ACCELERATORS↗
NASA NTRS1975

Jupiter's atmosphere - Problems and potential of radio occultation

The atmospheric temperature-pressure profiles derived from the Pioneer 10-Pioneer 11 radio occultation experiment are mutually consistent but differ markedly from the results of other investigations. Current studies indicate that the occultation interpretation contains errors that were made very large by an inherent magnification effect, and that these errors have both geometrical and equipment sources. The apparent consistency between the Pioneer 10 and Pioneer 11 results must be considered fortuitous. Despite these difficulties, the occultation technique, when optimally instrumented and carefully interpreted, retains its potential for atmospheric profile measurements of high accuracy and resolution.

Eshleman, V. R.↗
NASA NTRS1981

The Solar Optical Telescope /SOT/

The Solar Optical Telescope (SOT) is a 1-m class, high resolution solar telescope which NASA plans to operate on the Shuttle Spacelab during the mid and late 1980's. SOT will provide resolution down to 0.1 arcsec, and can therefore be used to solve many problems of solar atmosphere structure and dynamics. In particular, SOT should provide definite data on (1) the source of the sun's magnetic field, (2) the amount of power in waves generated in the photosphere, (3) the heating of the chromosphere, and (4) the local and global mass and energy balance in the solar transition region. The SOT Scientific Working Group will help plan, develop, and update the overall scientific plan for the SOT, as well as make recommendations with regard to the SOT project, instrumentation optimization, and scientific data management.

Jordan, S. D.↗
NASA NTRS1988

Wavelength-precise slit spectroscopy with optical fiber image scramblers

The application of optical-fiber image scramblers in wavelength-precise slit spectroscopy is discussed together with the design strategy for the optimal instrument configuration incorporating an optical-fiber image scrambler. Particular attention is given to the aspects of data analysis and interpretation techniques which must be specially designed for high-precision spectroscopy. In a specific application to an existing coude spectrograph, the instrumentation and data reduction techniques described in this paper demonstrate an achievable precision corresponding to a systematic radial velocity error of about 30 m/sec.

Heacox, William D.↗
NASA NTRS1990

Progress in microwave remote sensing of soil moisture

Significant progress has been made in the application of microwave remote sensing for measuring soil moisture. Both passive and active systems have demonstrated the capability for measuring soil moisture. However, several questions are still unresolved regarding the optimal instrument configuration and other target characteristics, such as roughness and vegetation. In addition, the most likely disciplines for using these data, agriculture and hydrology, do not currently possess adequate models or procedures for using these new data.

Engman, Edwin T.↗
NASA NTRS1992

The Quickest, Lowest-cost Lunar Resource Assessment Program: Integrated High-tech Earth-based Astronomy

Science and technology applications for the Moon have not fully kept pace with technical advancements in sensor development and analytical information extraction capabilities. Appropriate unanswered questions for the Moon abound, but until recently there has been little motivation to link sophisticated technical capabilities with specific measurement and analysis projects. Over the last decade enormous technical progress has been made in the development of (1) CCD photometric array detectors; (2) visible to near-infrared imaging spectrometers; (3)infrared spectroscopy; (4) high-resolution dual-polarization radar imaging at 3.5, 12, and 70 cm; and equally important (5) data analysis and information extraction techniques using compact powerful computers. Parts of each of these have been tested separately, but there has been no programmatic effort to develop and optimize instruments to meet lunar science and resource assessment needs (e.g., specific wavelength range, resolution, etc.) nor to coordinate activities so that the symbiotic relation between different kinds of data can be fully realized. No single type of remotely acquired data completely characterizes the lunar environment, but there has been little opportunity for integration of diverse advanced sensor data for the Moon. Two examples of technology concepts for lunar measurements are given. Using VIS/near-IR spectroscopy, the mineral composition of surface material can be derived from visible and near-infrared radiation reflected from the surface. The surface and subsurface scattering properties of the Moon can be analyzed using radar backscattering imaging.

Pieters, Carle M.↗
NASA NTRS1995

The Atmospheric Lifetime Experiment and the Global Atmospheric Gas Experiment (ALE/GAGE)

The ALE/GAGE project was designed to determine the global atmospheric lifetimes of the chlorofluorocarbons CCl3F and CCl2F2 (F-11 and F-12), which had been identified as the main gases that cause stratospheric ozone depletion. The experimental procedures also provided the concentrations of CH3CCl3, CCl4 and N2O. The extended role of the project was to evaluate the mass balances of these gases as well. Methylchloroform (CH3CCl3) serves as a tracer of average atmospheric OH concentrations and hence the oxidizing capacity of the atmosphere. Nitrous oxide (N2O) is a potent greenhouse gas and can also deplete the ozone layer. Measurements of these gases were taken with optimized instruments in the field at a frequency of about 1 sample/hr. Toward the end of the present project methane measurements were added to the program. The final report deals with the research of the Oregon Graduate Institute (OGI) as part of the ALE/GAGE program between 4/1/1988 and 1/31/1991. The report defines the scope of the OGI project, the approach, and the results.

Rasmussen, R. A.↗
NASA NTRS1994

BIOME: An Ecosystem Remote Sensor Based on Imaging Interferometry

Until recent times, optical remote sensing of ecosystem properties from space has been limited to broad band multispectral scanners such as Landsat and AVHRR. While these sensor data can be used to derive important information about ecosystem parameters, they are very limited for measuring key biogeochemical cycling parameters such as the chemical content of plant canopies. Such parameters, for example the lignin and nitrogen contents, are potentially amenable to measurements by very high spectral resolution instruments using a spectroscopic approach. Airborne sensors based on grating imaging spectrometers gave the first promise of such potential but the recent decision not to deploy the space version has left the community without many alternatives. In the past few years, advancements in high performance deep well digital sensor arrays coupled with a patented design for a two-beam interferometer has produced an entirely new design for acquiring imaging spectroscopic data at the signal to noise levels necessary for quantitatively estimating chemical composition (1000:1 at 2 microns). This design has been assembled as a laboratory instrument and the principles demonstrated for acquiring remote scenes. An airborne instrument is in production and spaceborne sensors being proposed. The instrument is extremely promising because of its low cost, lower power requirements, very low weight, simplicity (no moving parts), and high performance. For these reasons, we have called it the first instrument optimized for ecosystem studies as part of a Biological Imaging and Observation Mission to Earth (BIOME).

Peterson, David L.↗
NASA NTRS2004

Radiometer Design Analysis Based Upon Measurement Uncertainty

This paper introduces a method for predicting the performance of a radiometer design based on calculating the measurement uncertainty. The variety in radiometer designs and the demand for improved radiometric measurements justify the need for a more general and comprehensive method to assess system performance. Radiometric resolution, or sensitivity, is a figure of merit that has been commonly used to characterize the performance of a radiometer. However when evaluating the performance of a calibration design for a radiometer, the use of radiometric resolution has limited application. These limitations are overcome by considering instead the measurement uncertainty. A method for calculating measurement uncertainty for a generic radiometer design including its calibration algorithm is presented. The result is a generalized technique by which system calibration architectures and design parameters can be studied to optimize instrument performance for given requirements and constraints. Example applications demonstrate the utility of using measurement uncertainty as a figure of merit.

Racette, Paul E.↗
NASA NTRS2008

A Solar-Powered Enceladus Mission

We present the results of a concept design study for a New Frontiers or small Flagship-class mission to Enceladus, using solar power. By concentrating on the science objectives most critical for a Cassini follow-on, this mission maximizes the science return while maintaining a power consumption level that can be provided by a practical solar power system. The optimized instrument payload is the product of a broad science community-based Science Definition Team Study. The spacecraft and mission designs are the products of studies carried out by the GSFC Mission Design Lab and Ball Aerospace. In addition to the low isolation at Enceladus, its location deep in Saturn's gravity well makes it a challenging target to reach, meaning that careful consideration must be given to spacecraft mass and the potential mission types. This presentation summarizes the mission science objectives and payload, the dynamical work, and the notional operations plan of this mission.

Simon-Miller, Amy A.↗
NASA NTRS2010

The Hard X-Ray Sky: Recent Observational Progress

The last fifty years have witnessed the birth, development, and maturation to full potential of hard X-ray astrophysics. The primary force driving the history of the field has been the development of space-based instrumentation optimized for getting the maximum science out of observations of high-energy photons from astrophysical sources. Hard X-ray telescopes are leading research in areas such as galactic diffuse emission, galactic transients, and active galactic nuclei.

Gehrels, Neil↗
NASA NTRS2010

Characterization of Extrasolar Planets Using SOFIA

Topics include: the landscape of extrasolar planets, why focus on transiting planets, some history and Spitzer results, problems in atmospheric structure or hot Jupiters and hot super Earths, what observations are needed to make progress, and what SOFIA can currently do and comments on optimized instruments.

Deming, Drake↗
NASA NTRS2013

Mars Biosignature - Detection Capabilities: A Method for Objective Comparison of In Situ Measurements and Sample Return

A Mars sample-return mission has been proposed within NASA's Mars Exploration Program. Studying Martian samples in laboratories on Earth could address many important issues in planetary science, but arguably none is as scientifically compelling as the question of whether biosignatures indicative of past or present life exist on that planet. It is reasonable to ask before embarking on a sample-return mission whether equivalent investigation of Martian biosignatures could be conducted in situ. This study presents an approach to (1)identifying an optimal instrument suite for in situ detection of biosignatures on Mars,and (2)comparing the projected confidence level of in situ detection in a 2026 timeframe to that of Earth-based analysis. We identify a set of candidate instruments, the development of which is projected to be achievable by 2026 well within a $200 million cost cap. Assuming that any biosignatures near the surface of Mars are similar to those of terrestrial life, we find that this instrument suite, if successfully developed and deployed, would enable in situ biosignature detection at essentially the same level of confidence as that of Earth-based analysis of the same samples. At a cost cap of half that amount,the confidence level of in situbiosignature detection analysis could reach about 90% that of Earth-based investigations.

National Environmental Policy Act (NEPA)↗
NASA NTRS2014

X-Ray Polarization Capabilities of a Small Explorer Mission

X-ray polarization measurements hold great promise for studying the geometry and emission mechanisms in the strong gravitational and magnetic fields that surround black holes and neutron stars. In spite of this, the observational situation remains very limited; the last instrument dedicated to X-ray polarimetry flew decades ago on OSO-8, and the few recent measurements have been made by instruments optimized for other purposes. However, the technical capabilities to greatly advance the observational situation are in hand. Recent developments in micro-pattern gas detectors allow use of the polarization sensitivity of the photo-electric effect, which is the dominant interaction in the band above 2 keV. We present the scientific and technical requirements for an X-ray polarization observatory consistent with the scope of a NASA Small Explorer (SMEX) mission, along with a representative catalog of what the observational capabilities and expected sensitivities for the first year of operation could be. The mission is based on the technically robust design of the Gravity and Extreme Magnetism SMEX (GEMS) which completed a Phase B study and Preliminary Design Review in 2012. The GEMS mission is enabled by time projection detectors sensitive to the photo-electric effect. Prototype detectors have been designed, and provide engineering and performance data which support the mission design. The detectors are further characterized by low background, modest spectral resolution, and sub-millisecond timing resolution. The mission also incorporates high efficiency grazing incidence X-ray mirrors, design features that reduce systematic errors (identical telescopes at different azimuthal angles with respect to the look axis, and mounted on a rotating spacecraft platform), and a moderate capability to perform Target of Opportunity observations. The mission operates autonomously in a low earth, low inclination orbit with one to ten downlinks per day and one or more uplinks per week. Data and calibration products will be made available through the High Energy Astrophysics Science and Archival Research Center (HEASARC).

GEMS↗