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At least 1,243 records · Page 69

Optimizing Error-Bounded Lossy Compression for Scientific Data on GPUs

Error-bounded lossy compression is a critical technique for significantly reducing scientific data volumes. With ever-emerging heterogeneous high-performance computing (HPC) architecture, GPU-accelerated error-bounded compressors (such as CUSZ and cuZFP) have been developed. However, they suffer from either low performance or low compression ratios. To this end, we propose CUSZ+ to target both high compression ratios and throughputs. We identify that data sparsity and data smoothness are key factors for high compression throughputs. Our key contributions in this work are fourfold: (1) We propose an efficient compression workflow to adaptively perform run-length encoding and/or variable-length encoding. (2) We derive Lorenzo reconstruction in decompression as multidimensional partial-sum computation and propose a fine-grained Lorenzo reconstruction algorithm for GPU architectures. (3) We carefully optimize each of CUSZ kernels by leveraging state-of-the-art CUDA parallel primitives. (4) We evaluate CUSZ+ using seven real-world HPC application datasets on V100 and A100 GPUs. Experiments show CUSZ+ improves the compression throughputs and ratios by up to 18.4x and 5.3x, respectively, over CUSZ on the tested datasets.

Tian, Jiannan↗

Building Performance Standards and Energy Code Alignment - Technical Brief

Building energy codes focus on building design, construction and renovation and have significantly increased building efficiency since the first national energy code was published in 1975. Most jurisdictions have energy codes based on ANSI/ASHRAE/IES Standard 90.1 (hereto referred to as Standard 90.1) and the International Energy Conservation Code (IECC). Compliance options available in these model energy codes include a prescriptive path, whole building performance paths – including IECC Total Building Performance (TBP), Standard 90.1 Energy Cost Budget (ECB) method and Performance Rating Method (PRM) – and system performance paths for envelope and heating, ventilation, and air-conditioning systems. Building performance standard (BPS) policies are an emerging policy tool used by jurisdictions to reduce the operational energy use or greenhouse gas (GHG) emissions of the existing commercial building stock. BPS policies vary widely between jurisdictions and are tailored to each location’s climate and energy goals. Intuitively, projects that met a recent edition of the energy code should comply with the BPS targets. However, some new buildings may struggle with meeting the BPS for the following reasons: 1. Energy codes focus on the design of the building and its projected ability to perform efficiently, while BPS compliance is dependent on the actual ongoing performance of the building, considering variables like occupancy, operation, and maintenance. 2. There are significant differences in the methodologies used to determine BPS compliance versus code compliance, including how each handles compliance metrics, handling of building amenities, and renewable energy generation. 3. The prescriptive compliance path in the energy code is based on performance of individual building components, as opposed to the performance compliance path which accounts for holistic building design strategies and interdependent building systems. This can result in a significant variability in post-occupancy performance for buildings built using the prescriptive path. Designs on the lower end of the permitted efficiency range may struggle with meeting the BPS.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

A typology of organizational readiness for change based on a latent profile analysis

Companies have to undergo many change processes to succeed in the transforming economy. However, many change processes fail because employees are insufficiently accompanied through the process in a targeted manner. This study of N = 427 employees from a steel industry company undergoing a transformation process examines whether the organizational readiness for change (ORC) of highly affected employees can be classified into profiles, how these profiles can be predicted by various antecedents, and whether outcome variables such as job satisfaction can be explained by profile membership. Based on five facets of ORC (i.e., individual valence and positive affect), a total of six ORC profiles were identified: Proactives , Acceptors , Opens , Neutrals , Reluctants and Deniers . Employees’ optimism and the degree of perceived interpersonal and informational fairness can predict profile membership. It was shown that profiles significantly differ in relevant outcome variables satisfaction and intention to leave. These results contribute to the basic understanding of ORC and provide an initial approach for improving ORC profiles which could increase the success rate of change processes in companies.

Köhler, Alina↗

Urban weather modeling using WRF: linking physical assumptions, code implementation, and observational needs

The Weather Research and Forecasting (WRF) model includes urban schemes that simulate the influence of urban surfaces on the atmosphere using parameterizations for flux, and radiative exchanges. Three core schemes – the Bulk urban parameterization, Single-Layer Urban Canopy Model (SLUCM), and Multi-Layer Urban Canopy Model (MLUCM) – represent increasing levels of complexity. Although the parameterizations within these urban schemes are described in the literature, their specific implementation remains poorly documented, thus slowing down model development efforts. This manuscript provides a roadmap to the three urban schemes in WRF version 4.5.2, presenting equations using the same symbols as in the model code, along with references to code lines, and including graphics and explanations that connect the code to its physical foundations. Our thorough review of the urban parameterizations implemented in WRF version 4.5.2 highlighted a handful of parameters that may introduce discontinuities in simulations: (i) in the SLUCM, a 1 mm h −1 rain rate threshold is employed to switch between two minimum moisture availability parameterizations, thus impacting latent heat flux calculations; (ii) in the SLUCM a threshold is used to partition shortwave radiation into direct and diffuse components; (iii) in all three urban schemes, the bulk Richardson number is employed to select the similarity function, which influences the vertical distribution of heat and momentum. We also identified a highly simplified treatment of the radiative balance on roof surfaces. The implications of these simplifications can be assessed through targeted observations across relevant conditions, including varying precipitation rates, cloud cover, and transitions between stability regimes. Furthermore, the widespread application of the Monin-Obukhov similarity theory in these urban schemes warrants model evaluation under highly stable and unstable conditions and in heterogeneous urban settings with variable land cover and building heights on scales finer than model resolution. To address these challenges, we offer guidance on observational strategies, emphasizing the need for multi-parametric measurements to capture potential compensating biases and multi-height measurements that align with the levels where quantities are diagnostic and prognosed in the model (i.e., the lowest atmospheric level of the WRF model). Finally, our inspection of the code revealed implementation bugs that have now been corrected in WRF versions 4.6.0 and 4.6.1. Sensitivity tests over the Atlanta urban area show that these corrections affect surface temperatures, underscoring the importance of performing rigorous documentation and verification of the implementation of parameterizations in model code.

54 ENVIRONMENTAL SCIENCES↗

Injector Element which Maintains a Constant Mean Spray Angle and Optimum Pressure Drop During Throttling by Varying the Geometry of Tangential Inlets

A method for determining the optimum inlet geometry of a liquid rocket engine swirl injector includes obtaining a throttleable level phase value, volume flow rate, chamber pressure, liquid propellant density, inlet injector pressure, desired target spray angle and desired target optimum delta pressure value between an inlet and a chamber for a plurality of engine stages. The tangential inlet area for each throttleable stage is calculated. The correlation between the tangential inlet areas and delta pressure values is used to calculate the spring displacement and variable inlet geometry. An injector designed using the method includes a plurality of geometrically calculated tangential inlets in an injection tube; an injection tube cap with a plurality of inlet slots slidably engages the injection tube. A pressure differential across the injector element causes the cap to slide along the injection tube and variably align the inlet slots with the tangential inlets.

Trinh, Huu P.↗

Evaluation of Different MODIS AOD Retrieval Algorithms for PM (sub 2.5) Estimation in the Western, Midwestern and Southeastern United States with Implications for Public Health

This study was part of the research activities of the Center for Applied Atmospheric Research and Education (CAARE) funded by the NASA MUREP (Minority University Research and Education Project) Institutional Research Opportunity (MIRO) Program. Satellite measurements of Aerosol Optical Depth (AOD) have been shown to be correlated with ground measurements of fine particulate matter less than 2.5 microns PM (sub 2.5), which in turn has been linked to respiratory and heart diseases. The strength of the correlation between AOD and PM (sub 2.5) varies for different AOD retrieval algorithms and geographic regions. We evaluated several Moderate Resolution Imaging Spectrometer (MODIS) AOD products from different satellites (Aqua vs. Terra), retrieval algorithms (Dark Target versus Deep Blue), Collections (5.1 versus 6) and spatial resolutions (10-kilometers versus 3-kilometers) for cities in the Western, Midwestern and Southeastern U.S. We developed and validated PM (sub 2.5) prediction models using remotely-sensed AOD data, which were improved by incorporating meteorological variables (temperature, relative humidity, precipitation, wind speed, and wind direction) from the North American Land Data Assimilation System Phase 2 (NLDAS-2). Adding these meteorological data significantly improved the predictive power of all the PM (sub 2.5) models, especially in the Western U.S. Temperature, relative humidity and wind speed were the most significant meteorological variables throughout the year in the Western U.S. Wind speed was the most significant meteorological variable for the cold season while temperature was the most significant variable for the warm season in the Midwestern and Southeastern U.S. Our study re-establishes the connection between PM (sub 2.5) and public health concerns including respiratory and cardiovascular diseases (asthma, high blood pressure, coronary heart disease, heart attack, and stroke). Using PM (sub 2.5) data and health data from the Centers for Disease Control and Prevention (CDC)'s Behavioral Risk Factor Surveillance System (BRFSS), our statistical analysis showed that heart attack and stroke occurrences had the strongest correlations with PM (sub 2.5).

Environmental Public Health↗

Philadelphia Health & Air Quality: Assessing Land Surface Temperature, Vegetation Cover, and Compounding Vulnerability Factors to Identify High Priority Areas for Cooling Initiatives in Philadelphia, Pennsylvania

Heat is the leading cause of weather-related deaths in the US, with heat-related hospitalizations increasing by 2-5% between 2001-2010. In Philadelphia alone, 137 heat-related deaths were recorded between 2010-2018, while a total of 18 daily temperature records have been set since 2010. Temperature is relatively higher in cities compared to rural areas, a phenomenon known as the urban heat island effect. This effect exaggerates daytime maximum temperatures and nighttime heat retention in urban areas, which increases heat exposure in urban environments and especially impacts vulnerable populations. Vulnerability to heat-related illnesses is determined by a combination of risk factors, such as demographics, socioeconomic status, and preexisting health conditions. This project supported the Philadelphia Department of Public Health and Office of Sustainability by identifying priority areas for cooling interventions, such as heat danger educational outreach and urban tree planting. The team developed heat vulnerability scores for each census tract within Philadelphia. Remotely sensed land surface temperature, normalized difference vegetation index, normalized difference built-up index, normalized difference water index, and albedo data were calculated from Aqua Moderate Resolution Imaging Spectroradiometer and Landsat 8 Operational Land Imager/Thermal Infrared Sensor instruments. These variables were weighted against socioeconomic variables and preexisting health conditions using a principal component analysis. A total of 74 census tracts clustered were identified as high-risk areas for heat-related illnesses. 15 of these census tracts also had very low tree density (lower 20th percentile) and should be targeted for tree planting initiatives. The findings of this project will help target interventions to mitigate heat-related health issues and improve the overall wellness of Philadelphia residents.

Health & Air Quality↗

Philadelphia Health & Air Quality: Assessing Land Surface Temperature, Vegetation Cover, and Compounding Vulnerability Factors to Identify High Priority Areas for Cooling Initiatives in Philadelphia, Pennsylvania

Heat is the leading cause of weather-related deaths in the US, with heat-related hospitalizations increasing by 2-5% between 2001-2010. In Philadelphia alone, 137 heat-related deaths were recorded between 2010-2018, while a total of 18 daily temperature records have been set since 2010. Temperature is relatively higher in cities compared to rural areas, a phenomenon known as the urban heat island effect.This effect exaggerates daytime maximum temperatures and nighttime heat retention in urban areas, which increases heat exposure inurban environments and especially impacts vulnerable populations. Vulnerability to heat-related illnesses is determined by a combination of risk factors, such as demographics, socioeconomic status, and preexisting health conditions. This project supported the Philadelphia Department of Public Health and Office of Sustainability by identifying priority areas for cooling interventions, such as heat danger educational outreach and urban tree planting. The team developed heat vulnerability scores for each census tract within Philadelphia. Remotely sensed land surface temperature, normalized difference vegetation index, normalized difference built-up index, normalized difference water index, and albedo data were calculated from Aqua Moderate Resolution Imaging Spectroradiometer and Landsat 8 Operational Land Imager/Thermal Infrared Sensor instruments. These variables were weighted against socioeconomic variables and preexisting health conditions using a principal component analysis. A total of 74 census tracts clustered were identified as high-risk areas for heat-related illnesses. 15 of these census tracts also had very low tree density (lower 20th percentile) and should be targeted for tree planting initiatives. The findings of this project will help target interventions to mitigate heat-related health issues and improve the overall wellness of Philadelphia residents.

Health & Air Quality↗

Observing System Simulation Experiments Investigating Atmospheric Motion Vectors and Radiances from a Constellation of 4-5 μm Infrared Sounders

A set of Observing System Simulation Experiments (OSSEs) was performed to investigate the utility of a constellation of passive infrared spectrometers, strategically designed with the aim of deriving the three-dimensional retrievals of the horizontal wind via atmospheric motion vectors (AMVs) from instruments with the spectral resolution of an infrared sounder. The instrument and constellation designs were performed in the context of the Midwave Infrared Sounding of Temperature and humidity in a Constellation for Winds, or MISTiC Winds. The Global Modeling and Assimilation Office OSSE system, which includes a full suite of operational meteorological observations, served as the control. To illustrate the potential impact of this observing strategy, two experiments were performed by adding the new simulated observations to the control. First, perfect (error-free) simulated AMVs and radiances were assimilated. Second, the data were made imperfect by adding realistic modeled errors to the AMVs and radiances that were assimilated. The experimentation showed beneficial impacts on both the mass and wind fields, as based on analysis verification, forecast verification, and the assessment of the observations using the Forecast Sensitivity to Observation Impact (FSOI) metric. In all variables and metrics, the impacts of the imperfect observations were smaller than those of the perfect observations, though much of the positive benefit was retained. The FSOI metric illustrated two key points. First, the largest impacts were seen in the middle troposphere AMVs, which is a targeted capability of the constellation strategy. Second, the addition of modeled errors showed that the assimilation system was unable to fully exploit the 4.3 μm carbon dioxide absorption radiances.

Will McCarty↗

Observing System Simulation Experiments Investigating Atmospheric Motion Vectors and Radiances from a Constellation of 4–5-μm Infrared Sounders

A set of observing system simulation experiments (OSSEs) was performed to investigate the utility of a constellation of passive infrared spectrometers, strategically designed with the aim of deriving the three-dimensional retrievals of the horizontal wind via atmospheric motion vectors (AMVs) from instruments with the spectral resolution of an infrared sounder. The instrument and constellation designs were performed in the context of the Midwave Infrared Sounding of Temperature and humidity in a Constellation for Winds (MISTiC Winds). The Global Modeling and Assimilation Office OSSE system, which includes a full suite of operational meteorological observations, served as the control. To illustrate the potential impact of this observing strategy, two experiments were performed by adding the new simulated observations to the control. First, perfect (error free) simulated AMVs and radiances were assimilated. Second, the data were made imperfect by adding realistic modeled errors to the AMVs and radiances that were assimilated. The experimentation showed beneficial impacts on both the mass and wind fields, as based on analysis verification, forecast verification, and the assessment of the observations using the forecast sensitivity to observation impact (FSOI) metric. In all variables and metrics, the impacts of the imperfect observations were smaller than those of the perfect observations, although much of the positive benefit was retained. The FSOI metric illustrated two key points. First, the largest impacts were seen in the middle troposphere AMVs, which is a targeted capability of the constellation strategy. Second, the addition of modeled errors showed that the assimilation system was unable to fully exploit the 4.3-μm carbon dioxide absorption radiances.

Will McCarty↗

NASA’s Progress Toward Commercial Space Communications—SATCOM Demonstrations and Wideband Multilingual Terminal Development

The National Aeronautics and Space Administration (NASA) Space Communications and Navigation (SCaN) Program is continuing to forge a path toward programmatic and operational transformation enabling commercialization of communications and navigation services to the greatest extent possible for near Earth users. National Space Policy is driving government agencies to incorporate commercial offerings and services to the maximum extent possible. As such, NASA has no plans to build or deploy Tracking and Data Relay Satellites, but will seek to fill NASA mission space-relay capability needs using commercial satellite communications (SATCOM) providers and services. The goal is to support an approach that is both flexible to commercial service constructs and provides continuity of support with current assets as long as required. Progress toward commercialization is advancing in two key areas: (1) awards have been made for demonstrations of SATCOM services, and (2) development of wideband and multilingual user terminals has advanced to the flight demonstration phase. The Communications Services Project (CSP) at Glenn Research Center (GRC), has awarded Funded Space Act Agreements (FSAA) to six industry vendors. Inmarsat Government Inc., Kuiper Government Solutions (KGS) LLC, SES Government Solutions, Space Exploration Technologies, Telesat U.S. Services LLC, and Viasat Incorporated received a combined $278.5 million to complete technology development and in-space demonstrations over the next several years. The end-to-end service capabilities being targeted are based on existing NASA mission operational needs. Accordingly, each company has proposed a technical approach to lower costs, increase flexibility, and improve performance for a broad range of missions. In the current market, industry vendors operate at a range of different frequencies and use variable, sometime proprietary, coding and modulations schemes. As NASA strives for a network comprised of services provided by multiple distinct suppliers, interoperability is a fitting solution to unify the network. Wideband and multi-lingual user terminals are being developed to bridge differences in industry services. Building on ground demonstrations completed in 2021, the Johns Hopkins Applied Physics Lab (APL) will be flight testing a multi-lingual wideband terminal (payload) and demonstrating connectivity to both government and commercial relay services. This paper provides a discussion of the progress toward NASA’s commercial space communications goals and consideration of key challenges and next steps.

space communications↗

Spectral Characterization of Modern Spacecraft Materials

One of the observational parameters of interest in ground-based optical measurements is ascertaining material properties using broadband filter photometry and spectroscopy for orbiting targets. Broadband photometry can provide reflectance measurements that can aid in producing color-color indices and assess if objects can be classified into families or taxonomies. However, these reflectance properties can vary due to aspect angle, phase angle, and general degradation of the target’s exterior material. Spectral characterization can aid in material characterization utilizing known absorption bands and spectral signatures, but these signatures are affected by the same conditions described for remote observations.When utilizing ground-based measurements, it is well understood that material characterization is subject to variability due to space weathering and/or other external events (i.e., collision or explosion). The focus of this study is on space weathering effects on spacecraft materials in low Earth orbit. To better assess how materials are affected by the harsh space environment, specifically modern materials, a collection of materials were analyzed in both their pristine condition and after electron bombardment. This sample collection is part of an upcoming mission with the Materials International Space Station Experiment Flight Facility (MISSE-FF) that will be launched in 2022. These laboratory analyses on the samples will provide a ground-truth to compare with the insitu collected data. The data will also be stored in the NASA Johnson Space Center’s Spacecraft Materials Spectral Database that is available to U.S. citizens and maintained by the Orbital Debris Program Office. The following paper provides an overview of the materials investigated, laboratory, and database overview, and spectral results for both pristine and post-electron exposed conditions. The spectral signature data highlights which materials are stable, or remain relatively unchanged, and which materials vary significantly due to exposure and material configuration (variations due to rotation of the sample on a flat surface).Initial results on changes in spectral directional reflectance of the materials as a function of incident illumination direction are also presented.This data also will benefit the space situational awareness community with spectral characterization of novel materials that can support their respective optical measurements focused on material identification.

Heather M. Cowardin↗

NASA's Progress Toward Commercial Space Communications — SATCOM Demonstrations and Wideband Multilingual Terminal Development

The National Aeronautics and Space Administration (NASA) Space Communications and Navigation (SCaN) Program is continuing to forge a path toward programmatic and operational transformation enabling commercialization of communications and navigation services to the greatest extent possible for near Earth users. U.S. National Space Policy is driving government agencies to incorporate commercial offerings and services to the maximum extent possible. As such, NASA has no plans to build or deploy additional Tracking and Data Relay Satellites (TDRS), but will seek to fill NASA mission space-relay capability needs using commercial satellite communications (SATCOM) providers and services. The goal is to support an approach that is both flexible to commercial service constructs and provides continuity of support with current assets as long as required. Progress toward commercial services is advancing in two key areas: (1) awards have been made for demonstrations of SATCOM services, and (2) development of wideband and multilingual user terminals has advanced to the flight demonstration phase. The Communications Services Project (CSP) at Glenn Research Center (GRC), has awarded Funded Space Act Agreements (FSAA) to six industry vendors. Inmarsat Government Inc., Kuiper Government Solutions (KGS) LLC, SES Government Solutions, Space Exploration Technologies, Telesat U.S. Services LLC, and Viasat Incorporated will receive a combined $278.5 million to complete technology development and in-space demonstrations over the next several years. The end-to-end service capabilities being targeted are based on existing NASA mission operational needs. Accordingly, each company has proposed a technical approach to lower costs, increase flexibility, and improve performance for a broad range of missions. In the current market, industry vendors operate at a range of different frequencies and use variable, sometimes proprietary, coding and modulations schemes. As NASA strives for a network comprised of services provided by multiple distinct suppliers, interoperability is a fitting solution to unify the network. Wideband and multi-lingual user terminals are being developed to bridge differences in industry services. Building on ground demonstrations completed in 2021, the Johns Hopkins Applied Physics Lab (APL) will be flight testing a multi-lingual wideband terminal (payload) and demonstrating connectivity to both government and commercial relay services. This paper provides a discussion of the progress toward NASA’s commercial space communications goals and consideration of key challenges and next steps.

commercialization↗

Simulation and Development of the Radial Time Projection Chamber For the Bonus12 Experiment in CLAS12

Knowledge of the structure of nucleons (i.e. protons and neutrons) is a central topic of interest to nuclear/particle physicists. Much more is known about the structure of the proton than the neutron due to the lack of high-density free neutron targets. The Barely Off-shell Nucleon Structure experiment (BONuS12) at Jefferson Lab (JLab) is a second generation experiment upgraded/optimized to advance our knowledge of the neutron's structure using the deep-inelastic scattering of electrons off deuterium. Typically, since deuterium is a nuclear target, corrections for off-shell and nuclear binding effects must be taken into account in order to extract results on the neutron. These corrections are model-dependent and therefore have limited our success in extracting neutron information using deuterium targets. In the BONuS12 experiment, 10.6 GeV electrons are scattered off of a deuterium target. By detecting the low momentum spectator proton at backward angles, the uncertainty due to final state interactions is minimized. The goal of the experiment is to measure the ratio of the neutron to proton structure functions ($F^n_2/F^p_2$) as the Bjroken scaling variable x approaches 1. The newly designed Radial Time Projection Chamber (RTPC) for BONuS12 detects the spectator proton in coincidence with the scattered electron, which is detected in the CEBAF Large Acceptance Spectrometer (CLAS12). This work presents the simulation and development of the new BONuS12 RTPC. The design, construction, and testing of the Drift-gas Monitoring Sysytem (DMS) for the BONuS12 experiment is also described. The results of the DMS operation as well as the first preliminary data from the BONuS12 experimental run are given. Because the BONuS12 data analysis depends on CLAS12 working effectively, an effort to verify the CLAS12 operation with the extraction of the inclusive deep inelastic cross section from the first experiment in CLAS12 (Run Group A) will be presented.

Dzbenski, Nathan↗

Experimental impacts into Teflon targets and LDEF thermal blankets

The Long Duration Exposure Facility (LDEF) exposed approximately 20 sq m of identical thermal protective blankets, predominantly on the Ultra-Heavy Cosmic Ray Experiment (UHCRE). Approximately 700 penetration holes greater than 300 micron in diameter were individually documented, while thousands of smaller penetrations and craters occurred in these blankets. As a result of their 5.7 year exposure and because they pointed into a variety of different directions relative to the orbital motion of the nonspinning LDEF platform, these blankets can reveal important dynamic aspects of the hypervelocity particle environment in near-earth orbit. The blankets were composed of an outer teflon layer (approximately 125 micron thick), followed by a vapor-deposited rear mirror of silver (less than 1000 A thick) that was backed with an organic binder and a thermal protective paint (approximately 50 to 75 micron thick), resulting in a cumulative thickness (T) of approximately 175 to 200 microns for the entire blanket. Many penetrations resulted in highly variable delaminations of the teflon/metal or metal/organic binder interfaces that manifest themselves as 'dark' halos or rings, because of subsequent oxidation of the exposed silver mirror. The variety of these dark albedo features is bewildering, ranging from totally absent, to broad halos, to sharp single or multiple rings. Over the past year experiments were conducted over a wide range of velocities (i.e., 1 to 7 km/s) to address velocity dependent aspects of cratering and penetrations of teflon targets. In addition, experiments were performed with real LDEF thermal blankets to duplicate the LDEF delaminations and to investigate a possible relationship of initial impact conditions on the wide variety of dark halo and ring features.

Hoerz, F.↗

Comparability of Liquid Chromatography Tandem Mass Spectrometry Analysis of Dissolved Organic Matter across Laboratories

Non-targeted liquid chromatography tandem highresolution mass spectrometry (LC−MS/MS) is increasingly applied for the structure-resolved chemical analysis of dissolved organic matter (DOM). With new developments in MS instrumentation and analysis software, the approach has gained substantial momentum over the past decade. However, achieving high-quality analytical data that is reproducible and comparable across laboratories can be a bottleneck in non-targeted metabolomics and organic matter chemical analysis, especially for data reuse in repository-scale analyses. Understanding the capabilities as well as challenges of comparing LC−MS/MS data from different laboratories is necessary for inferring global trends from public data sets. To illuminate instrumentation factors that drive differences and variability, we used a standardized data analysis pipeline, including classical (CMN) and featurebased molecular networking (FBMN), to analyze data from a ring trial by 24 laboratories on identical sample sets of algal and DOM extracts that were mixed in predefined concentrations and spiked with standards. Our results showed that data sets from similar mass spectrometer types with unified instrument parameters were qualitatively comparable, resolving the same general trends and shared mass spectral features. Interlaboratory comparability was best for high-intensity features, while low-intensity features showed greater detection variability. Our analysis also highlights challenges when comparing data from instruments with different acquisition rates or operating with less standardized methods. Lastly, we provide recommendations for data integration, public data sharing, standardization, and best practices for standardized LC−MS/MS data acquisition, which will be critical for long-term time series and intercomparability of DOM chemical analyses.

DOM↗

Planning Target Volume D95 and Mean Dose Should Be Considered for Optimal Local Control for Stereotactic Ablative Radiation Therapy

Purpose: To identify the optimal dose parameters predictive for local/lobar control after stereotactic ablative radiation therapy (SABR) in early-stage non-small cell lung cancer (NSCLC). Methods and Materials: This study encompassed a total of 1092 patients (1200 lesions) with NSCLC of clinical stage T1-T2 N0M0 who were treated with SABR of 50 Gy in 4 fractions or 70 Gy in 10 fractions, depending on tumor location/size, using computed tomography-based heterogeneity corrections and a convolution superposition calculation algorithm. Patients were monitored by chest CT or positron emission tomography/CT and/or biopsy after SABR. Factors predicting local/lobar recurrence (LR) were determined by competing risk multivariate analysis. Continuous variables were divided into 2 subgroups at cutoff values identified by receiver operating characteristic curves. Results: At a median follow-up time of 31.7 months (interquartile range, 14.8-51.3 months), the 5-year time to local recurrence within the same lobe and overall survival rates were 93.8% and 44.8%, respectively. Total cumulative number of patients experiencing LR was 40 (3.7%), occurring at a median time of 14.4 months (range, 4.8-46 months). Using multivariate competing risk analysis, independent predictive factors for LR after SABR were minimum biologically effective dose (BED{sub 10}) to 95% of planning target volume (PTVD95 BED{sub 10}) ≤86 Gy (corresponding to PTV D95 physics dose of 42 Gy in 4 fractions or 55 Gy in 10 fractions) and gross tumor volume ≥8.3 cm{sup 3}. The PTVmean BED{sub 10} was highly correlated with PTVD95 BED{sub 10.} In univariate analysis, a cutoff of 130 Gy for PTVmean BED{sub 10} (corresponding to PTVmean physics dose of 55 Gy in 4 fractions or 75 Gy in 10 fractions) was also significantly associated with LR. Conclusions: In addition to gross tumor volume, higher radiation dose delivered to the PTV predicts for better local/lobar control. We recommend that both PTVD95 BED{sub 10} >86 Gy and PTVmean BED{sub 10} >130 Gy should be considered for SABR plan optimization.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Economics of new molecular targeted personalized radiopharmaceuticals

We report that Nuclear Medicine has come a long way since 2007 when Adrian Nunn pointed out the approval of radiopharmaceuticals was at an all-time low with all the major radiopharmaceutical agents in use having been approved over 10 years ago. Challenges being the prohibitively high cost of drug development and the large number of drugs failing in clinical trials. Proceed to today where Molecular imaging is fast-tracking the drug discovery process by reducing both the time and cost to screen candidates by quantitating the drugs effect on the target and toxicity to normal tissues. Additionally, nuclear medicine is now leading medical practice in personalized medicine using the theragnostic approach. Theragnostics is defined as the use of molecular diagnostic techniques in real-time to stratify patients to guide treatment decisions such as the choice of drug, the dose of administration and the timing of drug delivery for a given patient. Enabling visualization and quantitation of in vivo function of the whole body and thus patient heterogeneity and variability informs the physician on how to treat an individual patient. Recent successes such as the FDA approval of Luta Thera® and NETSPOT™ have resulted in an increasing number of pharmaceutical companies pursing theragnostics further heightened by the purchase of Advanced Accelerator Applications for 3.9 billion by Novartis and Endocyte, Inc for 2.1 billion. Theragnostics are further aiding drug development by showing which agents are most viable and reducing the overall cost of bringing a drug to clinical trials and regulatory approval. This is indeed a renaissance for nuclear medicine in which the acceptance of imaging to inform and monitor therapy has been embraced and even required by the FDA for the clinical evaluation of targeted therapeutic radiopharmaceuticals showing there is indeed a viable business model for targeted theragnostic radiopharmaceuticals and personalized medicine.

62 RADIOLOGY AND NUCLEAR MEDICINE↗