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Schrom, Brian T

Publications and source records attributed to Schrom, Brian T.

In Silico Identification Software (ISIS): A Machine Learning Approach to Tandem Mass Spectral Identification of Lipids

Liquid chromatography-mass spectrometry-based metabolomics has gained importance in the life sciences, yet it is not supported by software tools for high throughput identification of metabolites based on their fragmentation spectra. An algorithm (ISIS: in silico identification software) and its implementation are presented and show great promise in generating in silico spectra of lipids for the purpose of structural identification. Instead of using chemical reaction rate equations or rules-based fragmentation libraries, the algorithm uses machine learning to find accurate bond cleavage rates in a mass spectrometer employing collision-induced dissocia-tion tandem mass spectrometry. A preliminary test of the algorithm with 45 lipids from a subset of lipid classes shows both high sensitivity and specificity.

99 GENERAL AND MISCELLANEOUS↗

LaCl3:Ce Coincidence Signatures to Calibrate Gamma-ray Detectors

Abstract Calibrating the gamma-ray detection efficiency of radiation detectors in a field environment is difficult under most circumstances. To counter this problem we have developed a technique that uses a Cerium doped Lanthanum-Tri-Chloride (LaCl3:Ce) scintillation detector to provide gated gammas[ , ]. Exploiting the inherent radioactivity of the LaCl3:Ce due to the long-lived radioactive isotope 138La (t1/2 = 1.06 x 1011 yrs) allows the use of the 788 and 1436-keV gammas as a measure of efficiency. In this paper we explore the effectiveness of using the beta-gamma coincidences radiation LaCl3:Ce detector to calibrate the energy and efficiency of a number of gamma-ray detectors.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

LESSONS LEARNED IN AEROSOL MONITORING WITH THE RASA

The Radionuclide Aerosol Sampler/Analyzer (RASA) is an automated aerosol collection and analysis system designed by Pacific Northwest National Laboratory (PNNL) in the 1990's and is deployed in several locations around the world as part of the International Monitoring System (IMS) required under the Comprehensive Nuclear-Test-Ban Treaty (CTBT). The RASA operates unattended, save for regularly scheduled maintenance, iterating samples through a three-step process on a 24-hour interval. In its 15-year history, much has been learned from the operation and maintenance of the RASA that can benefit engineering updates or future aerosol systems. On 11 March 2011, a 9.0 magnitude earthquake and tsunami rocked the eastern coast of Japan, resulting in power loss and cooling failures at the Daiichi nuclear power plants in Fukushima Prefecture. Aerosol collections were conducted with the RASA in Richland, WA. We present a summary of the lessons learned over the history of the RASA, including lessons taken from the Fukushima incident, regarding the RASA IMS stations operated by the United States.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

IMPLEMENTING THE STANDARD SPECTRUM METHOD FOR ANALYSIS OF β-γ COINCIDENCE SPECTRA

The standard deconvolution analysis tool (SDAT) algorithms were developed and tested at the University of Texas at Austin. These algorithms utilize the standard spectrum technique for spectral analysis of {beta}-{gamma} coincidence spectra for nuclear explosion monitoring. Work has been conducted under this contract to implement these algorithms into a useable scientific software package with a graphical user interface. Improvements include the ability to read in PHD formatted data, gain matching, and data visualization. New auto-calibration algorithms were developed and implemented based on 137Cs spectra for assessment of the energy vs. channel calibrations. Details on the user tool and testing are included.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Interference Terms for Xenon-135

Systems to measure radioxenon concentrations are continually being improved to provide greater sensitivity and precision. As the systems become more capable, additional terms need to be added to the calculations to account for small previously insignificant effects such as minor decay branches. Recently, additional terms present in the {sup 135}Xe decay were added to the calculations to account for the small (5.2%) fraction of decays that produce cesium K-shell x-rays with an average energy of 32 keV and the Compton scatter of the dominant 250-keV gamma ray. These events overlap with the regions of interest of {sup 133}Xe, {sup 131m}Xe, and {sup 133m}Xe. In typical field applications, the amount of expected {sup 135}Xe is low due to the short half-life (9.14 hours) therefore the small fraction that could be mis-categorized as other isotopes is insignificant in most cases. However, for much more active samples, such as those recently measured in calibration and testing samples with high activity, the amount of mis-categorization can be significant. The additions to the calculations use calibration values to estimate the amount of a possible interference of {sup 135}Xe in the other regions of interest, which are then subtracted out. The calibration values, which are ratios of counts in one region of interest to another, are obtained by measuring with single isotope gases during the calibration process.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Digital Data Acquisition Graphical User Interface

Traditional radioxenon measurements have been done by ground based fixed systems, however in recent years there has been an increased need for systems capable of quick deployment or even complete mobility. Using the Pixie-4 data acquisition (DAQ) system can help reduce the electronics footprint of both current systems, like the radioxenon Radionuclide Laboratory 16 (RL-16) and the Swedish Automatic Unit for Noble Gas Acquisition (SAUNA), as well as future systems. Pacific Northwest National Laboratory (PNNL) has developed a Linux based Nyx graphical user interface (GUI) for Pixie-4 cards. The Nyx software can be installed on various Linux platforms and is written in C++. This software offers a rich user interface for configuring and operating the Pixie4 card and PNNL designed high voltage (HV) cards. Nyx allows one to quickly get a nuclear detector operational by maintaining the core diagnostic features built into the Pixie-4 cards. First, Nyx maintains the multitude of adjustable parameters accessible in the Pixie-4 cards, which allows one to customize settings to take full advantage of a particular detector. Nyx also maintains an oscilloscope feature which is extremely useful to optimize settings and to verify proper detector behavior and is often the first feature used in Nyx during detector setup. Finally, Nyx allows the user to collect data in several formats including full pulse shapes to basic histograms. Overall, it is the corner stone for the transition of beta-gamma systems to a state-of-the-art digitizing DAQ.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Progress in Advanced Spectral Analysis of Radioxenon

Improvements to a Java based software package developed at Pacific Northwest National Laboratory (PNNL) for display and analysis of radioxenon spectra acquired by the International Monitoring System (IMS) are described here. The current version of the Radioxenon JavaViewer implements the region of interest (ROI) method for analysis of beta-gamma coincidence data. Upgrades to the Radioxenon JavaViewer will include routines to analyze high-purity germanium detector (HPGe) data, Standard Spectrum Method to analyze beta-gamma coincidence data and calibration routines to characterize beta-gamma coincidence detectors. These upgrades are currently under development; the status and initial results will be presented. Implementation of these routines into the JavaViewer and subsequent release is planned for FY 2011-2012.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗