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All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Outcomes from a Collaborative Approach to a Code Comparison Study for Enhanced Geothermal Systems

A code comparison study, supported by the U.S. Department of Energy, Geothermal Technologies Office, has recently been completed whose stated purpose was to test, diagnose differences, and demonstrate the state of modeling capabilities developed at national laboratories and academic institutes within the United States for modeling enhanced geothermal systems. This three-year study comprised two sets of problems; those classified as benchmark problems and those classified as challenge problems. The benchmark problems were structured to test the ability of the collection of numerical simulators to solve various combinations of coupled thermal, hydrologic, geomechanical, and geochemical processes. This class of problems was strictly defined in terms of properties, driving forces, initial conditions, and boundary conditions. Study participants submitted solutions to problems for which their simulation tools were deemed capable or nearly capable. Some participating codes were originally developed for EGS applications whereas some others were designed for different applications but can simulate processes similar to those in EGS. Solution submissions from both were encouraged. In some cases participants made small incremental changes to their numerical simulation codes to address specific elements of the problem, and in other cases participants submitted solutions with existing simulation tools, acknowledging the limitations of the code. The challenge problems were based on the enhanced geothermal systems research conducted in hot dry rock at Fenton Hill, near Los Alamos, New Mexico, between 1974 and 1995, covering two research stimulation, development and circulation phases in two separate reservoirs. Both challenge problems have specific questions to be answered via numerical simulation in three topical areas: 1) reservoir creation/stimulation, 2) reactive and passive transport, and 3) thermal recovery. Whereas the benchmark class of problems were designed to test capabilities for modeling coupled processes under strictly specified conditions, the stated objective for the challenge class of problems was to demonstrate what new understanding of the Fenton Hill experiments could be realized via the application of modern numerical simulation tools by recognized expert practitioners. Critical observations and data from the Fenton Hill experiments were varied and scattered among a number of individual experiments, and numerical simulation solutions were sought that satisfied as many observations at possible. Achieving agreement in multiple experimental observations from Fenton Hill often required participants to critically think about stimulation mechanisms involving natural and hydraulic fractures and re-evaluate their conceptual models and numerical solution approaches. This process has yielded new insights to Fenton Hill reservoirs and direction for future EGS research. The keys to the success of this study were the high quality numerical simulation tools available, the expertise of the developers and practitioners, and the collaborative approach to reporting preliminary results among the study participants. This paper describes results submitted to the challenge problems and the outcomes of a collaborative approach to conducting a code comparison study.

Enhanced Geothermal Systems, numerical simulation,↗
DOE OSTI2022

Simulation study of chemo-mechanical impacts of CO 2 injection in morrow b sandstone reservoir

Here, this study investigates the impacts of geomechanical and geochemical changes on carbon storage in a partially depleted oil reservoir, using results from four different coupled simulation models. Models were used to examine the relative importance of storage mechanisms, and how changing reservoir parameters might affect these mechanisms through time. The study uses data from a Morrowan sandstone reservoir in the Farnsworth Unit (FWU), Ochiltree County, Texas which is currently undergoing CO 2 enhanced oil recovery (EOR). Partially depleted oil reservoirs such as the FWU offer attractive carbon utilization and/or storage targets because of existing infrastructure and economic benefits from incremental oil recovery as well as tax credits. However, prediction of storage capacity or long-term fluid migration in these fields can be difficult because of the wide variation in formation fluids and operational histories that may have undergone. CO 2 injection can cause complex geomechanical and geochemical responses in a reservoir as a result of interplay between dynamic changes in pore pressure, reservoir temperature, fluid composition, and interactions between formation fluids, CO 2 , and reservoir rock. Thus, multiple coupled numerical simulation models must be developed and used to more precisely understand what CO 2 storage mechanisms are most significant, as well as the long-term fate of the stored CO 2 . Our study used results from hydrodynamic, coupled hydro-geomechanical, coupled hydro-geochemical, and coupled hydro-geomechanical-geochemical models to examine how changes in geomechanical and geochemical properties can impact the injectivity or storage capacity of CO 2 . Models simulated historical field operations and then forward-modeled a water-alternate-gas (WAG) operation for 20 years, followed by a 1000-year post-injection monitoring. The work demonstrates that in this specific reservoir, geomechanical impacts appear to be more significant than any geochemical processes, which showed minimal impact on reservoir properties. Furthermore, these simulation scenarios corroborated other studies showing more than 90% of CO 2 injected are being stored and will remain stored in the reservoir. The study was able to draw on a rich set of data from this currently operational project for the work. Because the Morrow is a widespread oil-bearing reservoir in the midcontinent of the United States and is fairly typical of many sandstone reservoirs elsewhere, the study has significance beyond the boundaries of our field area.

58 GEOSCIENCES↗
DOE OSTI2017

Study of the Few Nucleon Systems at $\mathrm{CLAS}$

The study of few nucleon systems with electromagnetic probes is an essential component of the scientific program carried out at the Thomas Jefferson National Accelerator Facility (JLab). Here we present measurements of exclusive reactions on light nuclei using real photon beams with energies up to 3 GeV and the CEBAF Large Acceptance Spectrometer (CLAS), a nearly 4π magnetic spectrometer, in order to study the properties of strongly interacting matter and the transition from hadronic (i.e in terms of nucleons and mesons) to partonic (in terms of quark and gluons) degrees of freedom in nuclear interactions. We discuss the progress made in understanding the relevant degrees of freedom using polarisation observables and cross sections of deuteron and 3 He photodisintegration in the few-GeV photon-energy region. In addition, recent high-statistics experiments with the CLAS detector have provided us with sufficient counting rates to study the effects of initial- and final-state interactions in reactions off the deuteron. Such data allow us to extract a large set of polarisation observables for final-state interactions in hyperon photoproduction and to study the properties of the hyperon–nucleon interaction. Initial-state effects are studied by mapping the dependence of experimental observables on the spectator-nucleon momentum. We also present recent results for polarisation observables for quasi-free K + Λ off the bound proton in a deuteron as well as for final-state interactions in the reaction γd→K + Λn , and will discuss their impact on hyperon–nucleon studies.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Binding Studies of Isoxsuprine Hydrochloride to Calf Thymus DNA Using Multispectroscopic and Molecular Docking Techniques

In the present work, the interaction of Isoxsuprine (ISX) with Calf thymus DNA (ct-DNA) under physiological conditions (Tris–HCl buffer of pH 7.4) was investigated by using electronic absorption, circular dichroism, viscosity, electrochemical studies, fluorescence techniques, salt effect studies and computational studies. Competitive fluorimetric studies with Hoechst 33258 have shown that ISX exhibit the ability to displace the DNA-bound Hoechst 33258, indicating that it binds to ct-DNA in strong competition with Hoechst 33258 for the minor groove binding. Furthermore, the resulting data showed that ISX cannot displace methylene blue or acridine orange, which are the common intercalator molecules. The viscosity of ct-DNA solution was almost unchanged on addition of ISX and circular dichroism (CD) spectra of ct-DNA showed small changes in the presence of ISX which is in agreement with groove binding mode of interaction. Thus all above studies showed that the ISX drug binds to ct-DNA in a groove binding mode.The salt-effect studies showed the non-electrostatic nature of binding of ISX to ct-DNA. Moreover, molecular docking results support the above experimental data and suggest that ISX prefers to bind on the minor groove of ct-DNA.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Numerical analysis of experimental studies of methane hydrate dissociation induced by depressurization in a sandy porous medium

Methane Hydrates (MHs) are a promising energy source abundantly available in nature. Understanding the complex processes of MH formation and dissociation is critical for the development of safe and efficient technologies for energy recovery. Many laboratory and numerical studies have investigated these processes using synthesized MH-bearing sediments. A near-universal issue encountered in these studies is the spatial heterogeneous hydrate distribution in the testing apparatus. In the absence of direct observations (e.g. using X-ray computed tomography) coupled with real time production data, the common assumption made in almost all numerical studies is a homogeneous distribution of the various phases. In an earlier study (Yin et al., 2018) that involved the numerical description of a set of experiments on MH-formation in sandy medium using the excess water method, we showed that spatially heterogeneous phase distribution is inevitable and significant. In the present study, we use as a starting point the results and observations at the end of the MH formation and seek to numerically reproduce the laboratory experiments of depressurization-induced dissociation of the spatially-heterogeneous MH distribution. This numerical study faithfully reproduces the geometry of the laboratory apparatus, the initial and boundary conditions of the system, and the parameters of the dissociation stimulus, capturing accurately all stages of the experimental process. Using inverse modelling (history-matching) that minimized deviations between the experimental observations and numerical predictions, we determined the values of all the important flow, thermal, and kinetic parameters that control the system behaviour, which yielded simulation results that were in excellent agreement with the measurements of key monitored variables, i.e. pressure, temperature, cumulative production of gas and water over time. We determined that at the onset of depressurization (when the pressure drop – the driving force of dissociation – is at its maximum), the rate of MH dissociation approaches that of an equilibrium reaction and is limited by the heat transfer from the system surroundings. Furthermore, as the effect of depressurization declines over time, the dissociation reaction becomes kinetically limited despite significant heat inflows from the boundaries, which lead to localized temperature increases in the reactor.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Nexus of thermal resilience and energy efficiency in buildings: A case study of a nursing home

Extreme weather events become more frequent and severe due to climate change. Although energy efficiency technologies can influence thermal resilience of buildings, they are traditionally studied separately, and their interconnections are rarely quantified. This study developed a methodology of modeling and analysis to provide insights into the nexus of thermal resilience and energy efficiency of buildings. In this work, we conducted a case study of a real nursing home in Florida, where 12 patients died during Hurricane Irma in 2017 due to HVAC system power loss, to understand and quantify how passive and active energy efficiency measures (EEMs) can improve thermal resilience to reduce heat-exposure risk of patients. Results show that passive measures of opening windows and doors for natural ventilation, as well as miscellaneous load reduction, are very effective in eliminating the extreme dangerous occasions. However, to maintain safe conditions, active measures such as on-site power generators and thermal storage are also needed. The nursing home was further studied by changing its location to two other cities: San Francisco (mild climate) and Chicago (cold winter and hot summer). Results revealed that the EEMs' impacts on thermal resilience vary significantly by climate and building characteristics. The study also estimated the costs of EEMs to help stakeholders prioritize the measures. Passive measures that may not save energy may greatly improve thermal resilience, and thus should be considered in building design or retrofit. Findings from this study indicate energy efficiency technologies should be evaluated not only by their energy savings performance but also by their influence on a building's resilience to extreme weather events.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2016

Prospective study of ultraviolet radiation exposure and risk of breast cancer in the United States

Although there are few environmental risk factors for breast cancer, some epidemiologic studies found that exposure to solar UV radiation (UVR) may lower risk. Prior epidemiologic studies are limited by narrow ambient UVR ranges and lack lifetime exposure assessment. To address these issues, we studied a cohort with residences representing a wide range of ambient UVR. Using the nationwide U.S. Radiologic Technologists study (USRT), we examined the association between breast cancer risk and UVR based on ambient UVR, time outdoors, a combined variable of ambient UVR and time outdoors (combined UVR), and sun susceptibility factors. Participants reported location of residence and hours spent outdoors during five age periods. Ambient UVR was derived by linking satellite-based annual UVR estimates to self-reported residences. Lifetime values were calculated by averaging these measures accounting for years spent in that location. We examined the risk of breast cancer among 36,725 participants (n=716 cases) from baseline questionnaire completion (2003–2005) through 2012–2013 using Cox proportional hazards models. Breast cancer risk was unrelated to ambient UVR (HR for lifetime 5th vs 1st quintile=1.22, 95% CI: 0.95–1.56, p-trend=0.36), time outdoors (HR for lifetime 5th vs 1st quintile=0.87, 95% confidence interval (CI): 0.68–1.10, p-trend=0.46), or combined UVR (HR lifetime 5th vs 1st quintile =0.85, 95% CI: 0.67–1.08, p-trend=0.46). Breast cancer risk was not associated with skin complexion, eye or hair color, or sunburn history. This study does not support the hypothesis that UVR exposure lowers breast cancer risk. - Highlights: • Prior studies of UVR and breast cancer are inconsistent and limited. • We assessed UVR exposure across the lifetime and in three ways. • Conducted a prospective analysis of UVR exposure and breast cancer risk. • No association of any UVR exposure metric at any age with breast cancer risk. • Our findings suggest UVR exposure does not reduce risk of breast cancer.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Simple Factors Associated With Radiation-Induced Lung Toxicity After Stereotactic Body Radiation Therapy of the Thorax: A Pooled Analysis of 88 Studies

Purpose: To study the risk factors for radiation-induced lung toxicity (RILT) after stereotactic body radiation therapy (SBRT) of the thorax. Methods and Materials: Published studies on lung toxicity in patients with early-stage non–small cell lung cancer (NSCLC) or metastatic lung tumors treated with SBRT were pooled and analyzed. The primary endpoint was RILT, including pneumonitis and fibrosis. Data of RILT and risk factors were extracted from each study, and rates of grade 2 to 5 (G2+) and grade 3 to 5 (G3+) RILT were computed. Patient, tumor, and dosimetric factors were analyzed for their correlation with RILT. Results: Eighty-eight studies (7752 patients) that reported RILT incidence were eligible. The pooled rates of G2+ and G3+ RILT from all 88 studies were 9.1% (95% confidence interval [CI]: 7.15-11.4) and 1.8% (95% CI: 1.3-2.5), respectively. The median of median tumor sizes was 2.3 (range, 1.4-4.1) cm. Among the factors analyzed, older patient age (P=.044) and larger tumor size (the greatest diameter) were significantly correlated with higher rates of G2+ (P=.049) and G3+ RILT (P=.001). Patients with stage IA versus stage IB NSCLC had significantly lower risks of G2+ RILT (8.3% vs 17.1%, odds ratio = 0.43, 95% CI: 0.29-0.64, P<.0001). Among studies that provided detailed dosimetric data, the pooled analysis demonstrated a significantly higher mean lung dose (MLD) (P=.027) and V20 (P=.019) in patients with G2+ RILT than in those with grade 0 to 1 RILT. Conclusions: The overall rate of RILT is relatively low after thoracic SBRT. Older age and larger tumor size are significant adverse risk factors for RILT. Lung dosimetry, specifically lung V20 and MLD, also significantly affect RILT risk.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2020

Microwave-induced selective decomposition of cellulose: Computational and experimental mechanistic study

Understanding microwave-material interactions will help facilitate the utilization of microwave technology in gasification and renewable energy production. In this study, cellulose was used as a model compound to simulate the organic matter in biomass, and its catalytic decomposition under a microwave (MW) field was studied to identify structural changes from the reaction. The study was conducted using a MW source coupled to a fixed-bed gas-flow reactor, mass spectroscopic, and Fourier transform infrared spectroscopy post-reaction analysis. Zeolite 13X was chosen as a microwave absorber to study the catalytic enhancement of the decomposition of cellulose. Density functional theory (DFT) was used to gain insights into the molecular transformations occurring in the presence of a static electric field, which was used to simulate the electric field component of the microwave electromagnetic radiation. Theoretical calculations demonstrated that both the positive and negative portion of the electric field interact with the permanent dipoles of the cellulose effecting the decomposition through the glycosidic bond breaking mechanism. The theoretical result was verified using infrared spectroscopic analysis of the pure cellulose during microwave heating. The theoretical calculations suggest only the positive electric field component may be active for the cellulose decomposition in the presence of Zeolite 13X. Physically mixing Zeolite 13X with the cellulose led to a significant enhancement in the decomposition rate of the glycosidic bond. Zeolite 13X enhanced the glycosidic O-C decomposition at lower MW power (lower temperatures), whereas the O-H functional group required higher MW power (higher temperature) for its decomposition. The DFT study coupled with the reaction studies revealed that the electric field polarizability is dependent upon both the direction and the orientation of the cellulose. Gas products revealed that applying 250 W of MW power led to the production of CO, H 2 , along with some CO 2 , CH 4 , and benzene at 305 °C. Finally, reaction under 500, 750, and 1000 W of power at constant temperature (305 °C) revealed that higher power led to the complete decomposition of cellulose to mostly CO, H 2 , and CO 2 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

X-ray photoelectron spectroscopy and ion dynamics study of W6+ doped La2Mo2O9 as SOFC electrolyte

Highlights: • Stabilization of high temperature cubic phase of La{sub 2}Mo{sub 2}O{sub 9} at room temperature by W doping. • Intra-granular pore formation in the material under reducive atmosphere. • X-ray photoelectron spectroscopic study of W doped La{sub 2}Mo{sub 2}O{sub 9} both in air and reducive atmosphere. • Partial stabilization of Mo{sup 6+} state in La{sub 2}Mo{sub 2}O{sub 9} upon W doping in reducive atmosphere. • Ion dynamics and conductivity studies for oxide ion transport. - Abstract: The structural stability of La{sub 2}Mo{sub 2-x}W{sub x}O{sub 9} is well reported by many researchers but its studies on photoelectron spectroscopy, structural behaviour in Ar-H{sub 2} (reducing) atmosphere and ion dynamics are rarely reported. Here we report for the first time, to the best of authors’ knowledge, the above studies for W-doped La{sub 2}Mo{sub 2}O{sub 9} compounds. La{sub 2}Mo{sub 2}O{sub 9} doped with W{sup 6+} over the range of 0.25 ≤ x ≤ 1.75 at Mo{sup 6+} site is synthesised by solid-state reaction route. The x-ray diffraction studies show that at x = 0.5 the lattice parameter of the unit cell starts decreasing as a consequence of decrease in bond length between various elements present in the compound. The XPS analysis shows that Mo in La{sub 2}Mo{sub 2-x}W{sub x}O{sub 9} is very much sensitive to reduction. The temperature dependent a.c. impedance spectroscopy study of La{sub 2}Mo{sub 2-0.5}W{sub 0.5}O{sub 9} has been reported over the temperature range up to 653 K.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Studying drought-induced forest mortality using high spatiotemporal resolution evapotranspiration data from thermal satellite imaging

Drought can have pervasive and wide-spread impacts to forest health, as evidenced in several severe events occurring over the recent decades. Extensive forest die-off due to drought can impair the ecological functioning of forests, impacting habitat, water yield and quality from forested lands, and altering forest fire dynamics and intensity. Satellite remote sensing provides an effective means for detecting and monitoring spatial patterns of forest mortality over large areas, exploiting free and open long-term image archives available at a range in spatial and temporal resolutions. While remotely sensed surface reflectances and vegetation indices have been widely used to study optical response of forest canopies to drought events, retrievals of evapotranspiration (ET) derived from thermal satellite imagery – particularly at resolutions approaching crown scale - can provide insights into cumulative tree stresses that can incite disease and trigger mortality. In this study, we applied a multi-sensor satellite data fusion approach to estimate daily 30-m resolution ET and an associated Evaporative Stress Index (ESI) to study drought-induced mortality in a temperate forest at the Missouri Ozark AmeriFlux (MOFLUX) site, located in the central United States. The study covered the period from 2010 to 2014, including an exceptional drought year of 2012. Modeled ET agreed well with eddy flux measurements from the MOFLUX tower, with average monthly relative errors of 15%. Plot-scale ESI, describing temporal anomalies in the ratio of actual-to-reference ET, was used as an index of relative forest health to investigate relationships between forest mortality and drought severity. ESI showed good agreement with observed predawn leaf water potential, especially during the drought year. Furthermore, plot-scale ESI was also correlated with the subsequent year's tree mortality, suggesting the importance of considering the forest health condition prior to drought when studying drought-induced forest impacts. This study demonstrates the utility of multi-year ET remote sensing data at the stand or plot scale as an indicator of forest health and as a predictor of future mortality due to drought.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

A Polycrystalline Pd Surface Studied by Two-Dimensional Surface Optical Reflectance during CO Oxidation: Bridging the Materials Gap

Industrial catalysts are complex materials systems operating in harsh environments. The active parts of the catalysts are nanoparticles that expose different facets with different surface orientations at which the catalytic reactions occur. However, these facets are close to impossible to study in detail under industrially relevant operating conditions. Instead, simpler model systems, such as single crystals with a well-defined surface orientation, have been successfully used to study gas–surface interactions such as adsorption and desorption, surface oxidation, and oxidation/reduction reactions. To more closely mimic the many facets exhibited by nanoparticles and thereby close the so-called materials gap, there has also been a recent move toward using polycrystalline surfaces and curved crystals. However, these studies are limited either by the pressure or spatial resolution at realistic pressures or by the number of surfaces studied simultaneously. In this work, we demonstrate the use of reflectance microscopy to study a vast number of catalytically active surfaces simultaneously under realistic and identical reaction conditions. As a proof of concept, we have conducted an operando experiment to study CO oxidation over a Pd polycrystal, where the polycrystalline surface acts as a collection of many single-crystal surfaces. Finally, we visualized the resulting data by plotting the reflectivity as a function of surface orientation. We think the techniques and visualization methods introduced in this work will be key toward bridging the materials gap in catalysis.

36 MATERIALS SCIENCE↗
DOE OSTI2019

A Uniform Practice for Conceptualizing and Communicating Food‐Energy‐Water Nexus Studies

There is growing interest in nexus research: energy‐water, energy‐water‐land, and more recently food‐energy‐water. Motivating this movement is the recognition that the dynamics and feedbacks that constitute these nexuses have been overlooked in the past but are critical to the planning and management of these interacting elements. Formal reviews have identified gaps in current studies. In this commentary, we highlight additional oversights that are hindering integration of findings in nexus studies, notably usage of imprecise terminology to describe analyses, a failure to close the loop by linking production with corresponding waste streams, and exclusion of dynamics linking diverse constituent elements. Equally lacking from current nexus studies is a consistent protocol for communicating the conceptual basis of our studies. To fill this gap, we draw on diverse perspectives and fields to propose a comprehensive and systematic framework that can guide the model conceptualization phase of nexus studies. We also present a standardized documentation practice (similar to one utilized by the agent‐based modeling community) to facilitate communication of nexus studies. These initiatives can improve our ability to account for and communicate the nuanced, food‐energy‐water nexus interactions in a consistent manner, which is necessary to better inform risk analysis and avoid decisions with unintended consequences and hidden costs to society.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Testing Hidden Assumptions of Representativeness in Reach-Scale Studies of Hyporheic Exchange

Field studies of hyporheic exchange in mountain systems are often conducted using short study reaches and a limited number of observations. It is common practice to assume these study reaches represent hyporheic exchange at larger scales or different sites and to infer general relationships among potential causal mechanisms from the limited number of observations. However, these assumptions of representativeness are rarely tested. In this study, we develop numerical models from four segments of mountain streams in different geomorphologic settings and extract shorter reaches to test how representative exchange metrics are in shorter reaches compared to their reference segments. We also map the locations of the representative reaches to determine if a pattern exists based on location. Finally, we compare variance of these shorter within-site reaches to 29 additional reaches across the same basin to understand the impacts of inferring causal mechanisms, for example, the expectation that wide and narrow valley bottoms will yield different hyporheic exchange patterns. Our results show that the location and length strategy of the study reach must be considered before assuming an exchange metric to be representative of anything other than the exact segment studied. Further, it is necessary to quantify within and between site variations before making causal inferences based on observable characteristics, such as valley width or stream morphology. Our findings have implications for future field practices and how those practices are translated into models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Dosimetry and uncertainty approaches for the million person study of low-dose radiation health effects: overview of the recommendations in NCRP Report No. 178

Purpose: Scientific Committee 6–9 was established by the National Council on Radiation Protection and Measurements (NCRP), charged to provide guidance in the derivation of organ doses and their uncertainty, and produced a report, NCRP Report No. 178, Deriving Organ Doses and their Uncertainty for Epidemiologic Studies with a focus on the Million Person Study of Low-Dose Radiation Health Effects (MPS). This review summarizes the conclusions and recommendations of NCRP Report No. 178, with a concentration on and overview of the dosimetry and uncertainty approaches for the cohorts in the MPS, along with guidelines regarding the essential approaches used to estimate organ doses and their uncertainties (from external and internal sources) within the framework of an epidemiologic study. Conclusions: The success of the MPS is tied to the validity of the dose reconstruction approaches to provide realistic estimates of organ-specific radiation absorbed doses that are as accurate and precise as possible and to properly evaluate their accompanying uncertainties. Further, the dosimetry aspects for the MPS are challenging in that they address diverse exposure scenarios for diverse occupational groups being studied over a period of up to 70 y. Specific dosimetric reconstruction issues differ among the varied exposed populations that are considered: atomic veterans, U.S. Department of Energy workers exposed to both penetrating radiation and intakes of radionuclides, nuclear power plant workers, medical radiation workers, and industrial radiographers. While a major source of radiation exposure to the study population comes from external gamma- or x-ray sources, for some of the study groups, there is also a meaningful component of radionuclide intakes that requires internal radiation dosimetry assessments.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2021

A cross-study analysis of drug response prediction in cancer cell lines

Abstract To enable personalized cancer treatment, machine learning models have been developed to predict drug response as a function of tumor and drug features. However, most algorithm development efforts have relied on cross-validation within a single study to assess model accuracy. While an essential first step, cross-validation within a biological data set typically provides an overly optimistic estimate of the prediction performance on independent test sets. To provide a more rigorous assessment of model generalizability between different studies, we use machine learning to analyze five publicly available cell line-based data sets: National Cancer Institute 60, ancer Therapeutics Response Portal (CTRP), Genomics of Drug Sensitivity in Cancer, Cancer Cell Line Encyclopedia and Genentech Cell Line Screening Initiative (gCSI). Based on observed experimental variability across studies, we explore estimates of prediction upper bounds. We report performance results of a variety of machine learning models, with a multitasking deep neural network achieving the best cross-study generalizability. By multiple measures, models trained on CTRP yield the most accurate predictions on the remaining testing data, and gCSI is the most predictable among the cell line data sets included in this study. With these experiments and further simulations on partial data, two lessons emerge: (1) differences in viability assays can limit model generalizability across studies and (2) drug diversity, more than tumor diversity, is crucial for raising model generalizability in preclinical screening.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Cognitive behavioural therapy targeting cardiac anxiety post-myocardial infarction: results from two sequential pilot studies

Abstract Aims Cardiac anxiety, which is cardiac-related fear and avoidance behaviours, is common following myocardial infarction (MI) and has been associated with increased risk for cardiovascular events. However, there are currently no treatments specifically designed to target cardiac anxiety. The aim of the two pilot studies was to evaluate an exposure-based cognitive behavioural therapy protocol (MI-CBT) targeting cardiac anxiety following MI, assessing feasibility, acceptability, and the intervention's potential for reducing cardiac anxiety and improving health-related quality of life (QoL). Methods and results A series of two sequential, uncontrolled pilot studies were conducted. In Pilot Study 1 (n = 15), MI-CBT was delivered via face-to-face videoconference, while Pilot Study 2 (n = 23) was delivered online. Patients with a history of MI (≥6 months before assessment, type 1 ST- or non-ST-segment elevation MI, and elevated cardiac anxiety as per clinical interview) were included. The interventions lasted 8 weeks and were therapist-led, with key components including exposure to cardiac-related symptoms and reduction of avoidance behaviours. Participants completed self-rated assessments, including the Cardiac Anxiety Questionnaire (CAQ) and the 12-Item Short Form Health Survey (SF-12), at baseline, post-treatment, and 6-month follow-up. Treatment adherence and satisfaction were high. Cognitive behavioural therapy led to a large reduction in cardiac anxiety, as measured by the CAQ (P < 0.001), and significant improvements in health-related QoL, as measured by the SF-12 (P < 0.001), in both pilot studies. Conclusion These studies suggest that exposure-based CBT is a feasible, acceptable, and promising approach to reduce cardiac anxiety and improve QoL following MI. A randomized controlled trial should be conducted to evaluate the efficacy of the intervention.

Johnsson, Amanda (ORCID:0009000862983934)↗
DOE OSTI2019

A systematic review of validated suicide outcome classification in observational studies

Abstract Background Suicidal outcomes, including ideation, attempt, and completed suicide, are an important drug safety issue, though few epidemiological studies address the accuracy of suicidal outcome ascertainment. Our primary objective was to evaluate validated methods for suicidal outcome classification in electronic health care database studies. Methods We performed a systematic review of PubMed and EMBASE to identify studies that validated methods for suicidal outcome classification published 1 January 1990 to 15 March 2016. Abstracts and full texts were screened by two reviewers using prespecified criteria. Sensitivity, specificity, and predictive value for suicidal outcomes were extracted by two reviewers. Methods followed PRISMA-P guidelines, PROSPERO Protocol: 2016: CRD42016042794. Results We identified 2202 citations, of which 34 validated the accuracy of measuring suicidal outcomes using International Classification of Diseases (ICD) codes or algorithms, chart review or vital records. ICD E-codes (E950-9) for suicide attempt had 2–19% sensitivity, and 83–100% positive predictive value (PPV). ICD algorithms that included events with ‘uncertain’ intent had 4–70% PPV. The three best-performing algorithms had 74–92% PPV, with improved sensitivity compared with E-codes. Read code algorithms had 14–68% sensitivity and 0–56% PPV. Studies estimated 19–80% sensitivity for chart review, and 41–97% sensitivity and 100% PPV for vital records. Conclusions Pharmacoepidemiological studies measuring suicidal outcomes often use methodologies with poor sensitivity or predictive value or both, which may result in underestimation of associations between drugs and suicidal behaviour. Studies should validate outcomes or use a previously validated algorithm with high PPV and acceptable sensitivity in an appropriate population and data source.

Swain, Richard S.↗