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All sourcesNASA NTRSDOE OSTI
NASA NTRS2007

Usefulness of Derived Frank Lead Parameters in Screening for Coronary Artery Disease and Cardiomyopathy

We investigated the accuracy of several known as well as newly-introduced derived Frank-lead ECG parameters in differentiating healthy individuals from patients with obstructive coronary artery disease (CAD) and cardiomyopathy (CM). Advanced high-fidelity 12-lead ECG tests (approx. 5-min supine) were first performed on a "training set" of 99 individuals: 33 with ischemic or dilated CM and low ejection fraction (EF less than 40%); 33 with catheterization-proven obstructive CAD but normal EF; and 33 age-/gender-matched healthy controls. The following derived Frank lead parameters were studied for their accuracy in detecting CAD and CM: the spatial ventricular gradient (VG), including its beat-to-beat coefficient of variability (VG CV); the spatial mean QRS (SM-QRS) and T-waves (SM-T) and their beat-to-beat coefficients of variability; the spatial ventricular activation time (VAT); the mean and maximum spatial QRS-T angles; and standard late potentials parameters (RMS40, fQRSD and LAS). Several of these parameters were accurate in discriminating between the control group and both diseased groups at p less than 0.0001. For example the fQRSD, VG CV, mean spatial QRS-T angle and VG minus SM-QRS (which is similar to the SM-T) had retrospective areas under the ROC curve of 0.78, 0.78, 0.80, and 0.84 (CAD vs. controls) and 0.93, 0.88, 0.98 and 0.99 (CM vs. controls), respectively. The single most effective parameter in discriminating between the CAD and CM groups was the spatial VAT (44 plus or minus 5.8 vs. 53 plus or minus 9.9 ms, p less than 0.0001), with an area under the ROC curve of 0.80. Since subsequent prospective analyses using new groups of patients and healthy subjects have yielded only slightly less accurate results, we conclude that derived Frank-lead parameters show great promise for potentially contributing to the development of a rapid and inexpensive resting ECG-based screening test for heart disease.

DePalma, J. L.↗
NASA NTRS2007

New and Improved T-wave Morphology Parameters to Differentiate Healthy Individuals from those with Cardiomyopathy and Coronary Artery Disease

We investigated the ability of several known as well as new ECG repolarization parameters to differentiate healthy individuals from patients with obstructive coronary artery disease (CAD) and cardiomyopathy (CM). Advanced high-fidelity 12-lead ECG tests (approx. 5-min supine) were first performed on a "training set" of 99 individuals: 33 with ischemic or dilated CM and low ejection fraction (EF less than 40%); 33 with catheterization-proven obstructive CAD but normal EF; and 33 age-/gender-matched healthy controls. The following multiple parameters of T-wave morphology (TWM) were derived via signal averaging and singular value decomposition (SVD, which yields 8 eigenvalues, rho(sub 1) greater than rho(sub 2)...greater than rho(sub 8) and studied for their retrospective accuracy in detecting underlying disease: 1) Principal component analysis ratio of the T wave (T-PCA) = 100*rho(sub 2)/rho(sub 1); 2) Relative T-wave residuum (rTWR) = 100* SIGMA (rho(sub 4)(sup 2) +...+ rho(sub 8)(sup 2)); 3) Modified complexity ratio of the T wave (T-mCR) = 100*SIGMA(rho(sub 3)(sup 2) +...+rho(sb 8) (sup 2)); and 4) Normalized 3-dimensional volume of the T wave (nTV) = 100*(rho(sub 2)*rho(sub 3)/rho(sub 1)(sup 2). All TWM parameters significantly differentiated CAD from controls (p less than 0.0001), and also CM from controls (p less than 0.0001). Retrospective areas under the ROC curve were 0.77, 0.81, 0.82, and 0.83 (CAD vs. controls) and 0.93, 0.89, 0.95 and 0.96 (CM vs. controls) for T-PCA, rTWR, T-mCR and nTV respectively. The newer TWM parameters (T-mCR and nTV) thus outperformed the more established parameters (T-PCA and rTWR), presumably by putting a greater emphasis on the third T-wave eigenvalue, which in most healthy subjects has little energy compared to the first two eigenvalues. Subsequent prospective analyses have also yielded similar results, such that we conclude that diagnostic differentiation of pathology from non-pathology may be especially aided by detecting the transference of energy from the first and second T-wave eigenvalues into the third T-wave eigenvalue.

Greco, E. C.↗
NASA NTRS2007

Multi-channel System for Beat to Beat QT Interval Variability and its Use in Screening for Coronary Artery Disease and Cardiomyopathy

We investigated the ability of beat-to-beat QT interval variability (QTV) and related parameters to differentiate healthy individuals from patients with obstructive coronary artery disease (CAD) and cardiomyopathy (CM). For this purpose we developed a PC-based ECG software program that in real time, acquires, analyzes and displays QTV in each of the eight independent channels that constitute the 12-lead conventional ECG. The system also analyzes and displays the QTV from QT interval signals that are derived from multiple channels and from singular value decomposition (SVD) to substantially reduce the effect of noise and other artifacts on the QTV results. It also provides other useful SVD-related parameters such as the normalized 3-dimensional volume of the T wave (nTV) = 100*(rho(sub 2)*rho(sub 3)rho(sub 1^2). Advanced high-fidelity 12-lead ECG tests (approx. 5-min supine) were first performed on a "training set" of 99 individuals: 33 with ischemic or dilated CM and low ejection fraction (EF less than 40%); 33 with catheterization-proven obstructive CAD but normal EF; and 33 age-/gender-matched healthy controls. All QTV parameters that were studied for their accuracy in detecting CM and CAD significantly differentiated both CM and CAD from controls (p less than 0.0001). Retrospective areas under the ROC curve (AUC) of SDNN-QTV, rmsSD-QTV, and QTV Index (QTVI) for CM vs. controls in the lead V5 were 0.85, 0.90, and 0.99, respectively, and those for CAD vs. controls in the lead II were 0.82, 0.82, and 0.89. Other advanced ECG parameters, such as HFQRS RAZ score, LF Lomb of RRV or QRS-T angle, differentiated both CM and CAD from controls less significantly, with the respective AUC values of 0.89, 0.88 and 0.98 for CM vs. controls, and 0.73, 0.71 and 0.80 for CAD vs. controls. QTV parameters (especially QTVI, which is QTV as indexed to RRV) were, diagnostically speaking, amongst the best performing of the advanced ECG techniques studied thus far.

Starc, V.↗
NASA NTRS2007

Construction and Use of Resting 12-Lead High Fidelity ECG "SuperScores" in Screening for Heart Disease

We investigated the accuracy of several conventional and advanced resting ECG parameters for identifying obstructive coronary artery disease (CAD) and cardiomyopathy (CM). Advanced high-fidelity 12-lead ECG tests (approx. 5-min supine) were first performed on a "training set" of 99 individuals: 33 with ischemic or dilated CM and low ejection fraction (EF less than 40%); 33 with catheterization-proven obstructive CAD but normal EF; and 33 age-/gender-matched healthy controls. Multiple conventional and advanced ECG parameters were studied for their individual and combined retrospective accuracies in detecting underlying disease, the advanced parameters falling within the following categories: 1) Signal averaged ECG, including 12-lead high frequency QRS (150-250 Hz) plus multiple filtered and unfiltered parameters from the derived Frank leads; 2) 12-lead P, QRS and T-wave morphology via singular value decomposition (SVD) plus signal averaging; 3) Multichannel (12-lead, derived Frank lead, SVD lead) beat-to-beat QT interval variability; 4) Spatial ventricular gradient (and gradient component) variability; and 5) Heart rate variability. Several multiparameter ECG SuperScores were derivable, using stepwise and then generalized additive logistic modeling, that each had 100% retrospective accuracy in detecting underlying CM or CAD. The performance of these same SuperScores was then prospectively evaluated using a test set of another 120 individuals (40 new individuals in each of the CM, CAD and control groups, respectively). All 12-lead ECG SuperScores retrospectively generated for CM continued to perform well in prospectively identifying CM (i.e., areas under the ROC curve greater than 0.95), with one such score (containing just 4 components) maintaining 100% prospective accuracy. SuperScores retrospectively generated for CAD performed somewhat less accurately, with prospective areas under the ROC curve typically in the 0.90-0.95 range. We conclude that resting 12-lead high-fidelity ECG employing and combining the results of several advanced ECG software techniques shows great promise as a rapid and inexpensive tool for screening of heart disease.

Schlegel, T. T.↗
NASA NTRS2007

Overview for Attached Payload Accommodations and Environments

External payload accommodations are provided at attach sites on the U.S provided ELC, U.S. Truss, the Japanese Experiment Module Exposed Facility (JEM EF) and the Columbus EPF (External Payload Facilities). The Integrated Truss Segment (ITS) provides the backbone structure for the ISS. It attaches the solar and thermal control arrays to the rest of the complex, and houses cable distribution trays Extravehicular Activity (EVA) support equipment such as handholds and lighting; and providing for Extravehicular Robotic (EVR) accommodations using the Mobile Servicing System (MSS). It also provides logistics and maintenance, and payload attachment sites. The attachment sites accommodate logistics and maintenance and payloads carriers, zenith and nadir. The JEM-EF, a back porch-like attachment to the JEM Pressurized Module, accommodates up to eight payloads, which can be serviced by the crew via the JEM PM's airlock and dedicated robotic arm. The Columbus-EPF is another porch-like platform that can accommodate two zenith and two nadir looking payloads.

Schaffer, Craig↗
NASA NTRS2005

Remote Sensing of Evapotranspiration and Carbon Uptake at Harvard Forest

A land surface vegetation index, defined as the difference of microwave land surface emissivity at 19 and 37 GHz, was calculated for a heavily forested area in north central Massachusetts. The microwave emissivity difference vegetation index (EDVI) was estimated from satellite SSM/I measurements at the defined wavelengths and used to estimate land surface turbulent fluxes. Narrowband visible and infrared measurements and broadband solar radiation observations were used in the EDVI retrievals and turbulent flux estimations. The EDVI values represent physical properties of crown vegetation such as vegetation water content of crown canopies. The collocated land surface turbulent and radiative fluxes were empirically linked together by the EDVI values. The EDVI values are statistically sensitive to evapotranspiration fractions (EF) with a correlation coefficient (R) greater than 0.79 under all-sky conditions. For clear skies, EDVI estimates exhibit a stronger relationship with EF than normalized difference vegetation index (NDVI). Furthermore, the products of EDVI and input energy (solar and photosynthetically-active radiation) are statistically significantly correlated to evapotranspiration (R=0.95) and CO2 uptake flux (R=0.74), respectively.

Min, Qilong↗
NASA NTRS2011

Finding Every Root of a Broad Class of Real, Continuous Functions in a Given Interval

One of the most pervasive needs within the Deep Space Network (DSN) Metric Prediction Generator (MPG) view period event generation is that of finding solutions to given occurrence conditions. While the general form of an equation expresses equivalence between its left-hand and right-hand expressions, the traditional treatment of the subject subtracts the two sides, leaving an expression of the form Integral of(x) = 0. Values of the independent variable x satisfying this condition are roots, or solutions. Generally speaking, there may be no solutions, a unique solution, multiple solutions, or a continuum of solutions to a given equation. In particular, all view period events are modeled as zero crossings of various metrics; for example, the time at which the elevation of a spacecraft reaches its maximum value, as viewed from a Deep Space Station (DSS), is found by locating that point at which the derivative of the elevation function becomes zero. Moreover, each event type may have several occurrences within a given time interval of interest. For example, a spacecraft in a low Moon orbit will experience several possible occultations per day, each of which must be located in time. The MPG is charged with finding all specified event occurrences that take place within a given time interval (or pass ), without any special clues from operators as to when they may occur, for the entire spectrum of missions undertaken by the DSN. For each event type, the event metric function is a known form that can be computed for any instant within the interval. A method has been created for a mathematical root finder to be capable of finding all roots of an arbitrary continuous function, within a given interval, to be subject to very lenient, parameterized assumptions. One assumption is that adjacent roots are separated at least by a given amount, xGuard. Any point whose function value is less than ef in magnitude is considered to be a root, and the function values at distances xGuard away from a root are larger than ef, unless there is another root located in this vicinity. A root is considered found if, during iteration, two root candidates differ by less than a pre-specified ex, and the optimum cubic polynomial matching the function at the end and at two interval points (that is within a relative error fraction L at its midpoint) is reliable in indicating whether the function has extrema within the interval. The robustness of this method depends solely on choosing these four parameters that control the search. The roots of discontinuous functions were also found, but at degraded performance.

Tausworthe, Robert C.↗
NASA NTRS2015

Epithermal Neutron Evidence for a Diurnal Surface Hydration Process in the Moon's High Latitudes

We report evidence from epithermal neutron flux observations that show that the Moon's high latitude surfaces are being actively hydrated, dehydrated and rehydrated in a diurnal cycle. The near-surface hydration is indicated by an enhanced suppression of the lunar epithermal neutron leakage flux on the dayside of the dawn terminator on poleward-facing slopes (PFS). At 0600 to 0800 local-time, hydrogen concentrations within the upper 1 meter of PFS are observed to be maximized relative to equivalent equator-facing slopes (EFS). During the lunar day surface hydrogen concentrations diminish towards dusk and then rebuild overnight. Surface hydration is determined by differential comparison of the averaged EFS to PFS epithermal neutron count rates above +/- 75 deg latitude. At dawn the contrast bias towards PFS is consistent with at least 15 to 25 parts-per-million (ppm) hydrogen that dissipates by dusk. We review several lines of evidence derived from temperature and epithermal neutron data by a correlated analysis of observations from the Lunar Reconnaissance Orbiter's (LRO) Lunar Exploration Neutron Detector (LEND) that were mapped as a function of lunar local-time, Lunar Observing Laser Altimeter (LOLA) topography and Diviner (DLRE) surface temperature.

diurnal cycles↗
NASA NTRS2013

Effects of Airport Tower Controller Decision Support Tool on Controllers Head-Up Time

Despite that aircraft positions and movements can be easily monitored on the radar displays at major airports nowadays, it is still important for the air traffic control tower (ATCT) controllers to look outside the window as much as possible to assure safe operations of traffic management. The present paper investigates whether an introduction of the NASA's proposed Spot and Runway Departure Advisor (SARDA), a decision support tool for the ATCT controller, would increase or decrease the controllers' head-up time. SARDA provides the controller departure-release schedule advisories, i.e., when to release each departure aircraft in order to minimize individual aircraft's fuel consumption on taxiways and simultaneously maximize the overall runway throughput. The SARDA advisories were presented on electronic flight strips (EFS). To investigate effects on the head-up time, a human-in-the-loop simulation experiment with two retired ATCT controller participants was conducted in a high-fidelity ATCT cab simulator with 360-degree computer-generated out-the-window view. Each controller participant wore a wearable video camera on a side of their head with the camera facing forward. The video data were later used to calculate their line of sight at each moment and eventually identify their head-up times. Four sessions were run with the SARDA advisories, and four sessions were run without (baseline). Traffic-load levels were varied in each session. The same set of user interface - EFS and the radar displays - were used in both the advisory and baseline sessions to make them directly comparable. The paper reports the findings and discusses their implications.

airport surface operations↗
NASA NTRS2016

Agricultural Fires in the Southeastern U.S. During SEAC4RS: Emissions of Trace Gases and Particles and Evolution of Ozone, Reactive Nitrogen, and Organic Aerosol

Emissions from 15 agricultural fires in the southeastern U.S. were measured from the NASA DC-8 research aircraft during the summer 2013 Studies of Emissions and Atmospheric Composition, Clouds and Climate Coupling by Regional Surveys (SEAC4RS) campaign. This study reports a detailed set of emission factors (EFs) for 25 trace gases and 6 fine particle species. The chemical evolution of the primary emissions in seven plumes was examined in detail for ~1.2 h. A Lagrangian plume cross-section model was used to simulate the evolution of ozone (O3), reactive nitrogen species, and organic aerosol (OA). Observed EFs are generally consistent with previous measurements of crop residue burning, but the fires studied here emitted high amounts of SO2 and fine particles, especially primary OA and chloride. Filter-based measurements of aerosol light absorption implied that brown carbon (BrC) was ubiquitous in the plumes. In aged plumes, rapid production of O3, peroxyacetyl nitrate (PAN), and nitrate was observed with (Delta)O3/(Delta)CO, (Delta)PAN/(Delta)NOy, and (Delta)nitrate/(Delta)NOy reaching approx. 0.1, approx. 0.3, and approx.0.3. For five selected cases, the model reasonably simulated O3 formation but underestimated PAN formation. No significant evolution of OA mass or BrC absorption was observed. However, a consistent increase in oxygen-to-carbon (O/C) ratios of OA indicated that OA oxidation in the agricultural fire plumes was much faster than in urban and forest fire plumes. Finally, total annual SO2, NOx, and CO emissions from agricultural fires in Arkansas, Louisiana, Mississippi, and Missouri were estimated (within a factor of approx. 2) to be equivalent to approx. 2% SO2 from coal combustion and approx. 1% NOx and approx. 9% CO from mobile sources.

OA mass or BrC absorption↗
NASA NTRS2018

Determination of Ballistic Limit for IM7/8552 Using LS-DYNA MAT 261

The goal of the NASA ACC High Energy Dynamic Impact Project is to determine the state of the art of dynamic fracture simulations for high velocity impact for composite fuselage shielding applications. Using a building block approach, several computational models considered under NASA ACC are being validated against test data, starting at unconfigured panels and progressing to configured panels under combined out-of-plane and in-plane loading due to ballistic impact. The computational models being evaluated in this project include MAT 162, MAT 213, MAT 261, SPG, and Peridynamics. In this paper, the simulation results using LS-Dyna Material MAT 261 are presented. In particular, a series of blind predictions for unconfigured panels were performed to determine the ballistic limit or V50 velocity. MAT 261 employs failure approach that is generally physically-based using fracture toughness criteria. The overall material model relies on typical ply-level stiffness properties, similar to MAT 162 and other composite continuum damage material models. The fracture toughness values are based on standard tests, and thus are not subject to extensive calibration. This approach is more efficient than performing extensive optimization studies for calibration of parameters. Also, this approach of relying on physical properties reduces the uncertainty of results, as questions concerning the quality and extent of the calibration studies is no longer relevant. However, it was found that carefully controlled coupon-level tests are needed to accurately obtain the required fracture toughness values. Additionally, it should be noted that there is one significant parameter in MAT 261 that does appear to require calibration, and that is the overall failure strain. This is the strain at which the element is deleted, and is not the same as the strain at which damage begins to accumulate. This failure strain is termed EFS (Effective Failure Strain), and is the maximum effective stain for element failure. Simulations have shown that this value will significantly affect impact response and failure. The paper presents the effect of this element failure strain parameter, along with possible uncertainties in fracture toughness values. With an adjusted appropriate value for EFS, it is seen that simulation results compare well with impact test data for predicted penetration velocity.

Byar, Alan↗
NASA NTRS2019

Thermal design and on-orbit performance of the ECOSTRESS instrument

The ECOSystem Spaceborne Thermal Radiometer Experiment on Space Station (ECOSTRESS) instrument, launched on June 29, 2018, has completed nine months of operation in space. ECOSTRESS is a multispectral thermal infrared imaging radiometer and its primary mission is to investigate and understand how climate change affects water and carbon usage on Earth. The thermal control subsystem consists of a combination of active and passive components to maintain instrument components within the allowable flight temperature limits. Its focal plane detector is cooled to 65K by a pair of mechanical cryocoolers and a third mechanical cryocooler cools an intermediate cold shield to 130K. The heat dissipation generated by cryocoolers and electronics, is removed through non-planar cold plates and tube-on plate heat exchanger, which are cooled by a circulating fluid -EF module. The heat collected by the JEM-EF fluid is exchanged with a fluid loop that circulates through radiators located on the exterior of the Space Station. This paper provides an overview of the thermal and cryogenic system design, thermal analysis results and reviews the on-orbit thermal performance.

Romero, M.↗
NASA NTRS2021

Ozone Production and Precursor Emission from Wildfires in Africa

Tropospheric ozone (O3) negatively impacts human health and is also a greenhouse gas. It is formed photochemically by reactions of nitrogen oxides (NOx) and volatile organic compounds (VOCs), of which wildfires are an important source. This study presents data from research flights sampling wildfires in West and Central African savannah regions, both close to the fires and after the emissions had been transported several days over the tropical North Atlantic Ocean. Emission factors (EFs) in g kg-1 for NOx (as NO), six VOCs and formaldehyde were calculated from enhancement to mole fractions in data taken close to the fires. For NOx, the emission factor was calculated as 2.05±0.43 g kg-1 for Senegal and 1.20±0.28 g kg-1 for Uganda, both higher than the average value of 1.13±0.6 g kg-1 for previous studies of African savannah regions. For most VOCs (except acetylene), EFs in Uganda were lower by factors of 20-50% compared to Senegal, with almost all the values below those in the literature. O3 enhancement in the fire plumes was investigated by examining the ΔO3/ΔCO enhancement ratio, with values ranging from 0.07 - 0.14 close to the fires up to 0.25 for measurements taken over the Atlantic Ocean up to 200 hours downwind. In addition, measurements of O3 and its precursors were compared to the output of a global chemistry transport model (GEOS-CF) for the flights over the Atlantic Ocean. Normalised mean bias (NMB) comparison between the measured and modelled data was good outside of the fire plumes, with CO showing a model under-prediction of 4.6% and O3 a slight over-prediction of 0.7% (both within the standard deviation of the data). For NOx the agreement was poorer, with an under-prediction of 9.9% across all flights. Inside the fire plumes the agreement between modelled and measured values is worse, with the model being biased significantly lower for all three species. In total across all flights, there was an under-prediction of 29.4%, 16.5% and 37.5% for CO, O3 and NOx respectively. Finally, the measured ΔO3/ΔCO enhancement ratios were compared those in the model for the equivalent flight data, with the model showing a lower value of 0.17±0.03 compared to an observed value of 0.29±0.05. The results detailed here show that the O3 burden to the North Atlantic Ocean from African wildfires may be underestimated and that further study is required to better study the O3 precursor emissions and chemistry.

James D Lee↗
DOE OSTI2023

Complete collision data set for electrons scattering on molecular hydrogen and its isotopologues: IV. Vibrationally-resolved ionization of the ground and excited electronic states

Here, we present a comprehensive set of vibrationally-resolved cross sections for electron-impact ionization of molecular hydrogen and its isotopologues (H 2 , D 2 , T 2 , HD, HT, and DT) in both the ground and excited electronic states. We apply the adiabatic-nuclei molecular convergent close-coupling (MCCC) method to calculate cross sections from threshold to 1000 eV for ionization of the ground and excited vibrational levels of the X 1 Σ$^{+}_{g}$, B 1 Σ$^{+}_{u}$, C 1 π u , EF 1 Σ$^{+}_{g}$, a 3 Σ$^{+}_{g}$, and c 3 π u electronic states, representing all states with united-atoms-limit principle quantum number n=1–2. The cross sections are presented in graphical form and provided as both numerical values and analytic fit functions in supplementary data files. The data can also be downloaded from the MCCC database at mccc-db.org.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2026

Molecular pathways for learning in the single-cell Stentor coeruleus

The single-cell Stentor coeruleus contracts in response to mechanical taps but habituates and learns to ignore the taps after repeated stimulation. Here, we explored the molecular changes that occur during the formation of this cellular memory in order to improve our understanding of non-synaptic learning. We impaired cellular protein synthesis with cycloheximide and puromycin and found that, contrary to the effects of such treatments on metazoa, these drugs accelerate habituation and prolong memory retention in Stentor . Exploratory proteomic and transcriptomic analyses identified candidate proteins and genes that changed over the course of habituation and response recovery, pointing toward the regulation of Stentor learning by calcium signaling and protein phosphorylation. Building on these results, we found that using RNA interference to knock down the calcium-binding, EF-hand domain-containing protein SteCoe_6763 accelerated habituation. Furthermore, increased extracellular calcium improved Stentor learning, while treatment with kinase and phosphatase inhibitors impaired learning. In particular, KN-93, a drug known to inhibit calcium/calmodulin-dependent kinase II and voltage-gated calcium channels, decreased both the rate and extent of habituation in Stentor , similar to its effects on learning in metazoa. We also discovered that habituation memory can be maintained in progeny following cell division. Taken together, these results suggest that response recovery in Stentor requires new protein synthesis and that memory formation involves the modification of delocalized mechanoreceptors by phosphorylation and calcium signaling. This is consistent with our previous model of Stentor learning, in which habituation occurs through the inactivation of cell-surface receptors.

CaMKII↗
DOE OSTI2022

Association of Short-term Patient-reported Outcomes With Long-term Oncologic Outcomes in Localized Prostate Cancer Patients Treated With Radiation Therapy and Androgen Deprivation Therapy in a Randomized Controlled Trial

Both oncologic outcomes and patient-reported outcomes are pivotal in prostate cancer (PCa). However, it remains unknown if there is any association between these 2 outcomes. In this secondary analysis of a randomized controlled trial, we investigated the association of short-term changes in patient-reported outcome with long-term event-free survival (EFS) and metastasis-free survival (MFS) in localized PCa.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2022

Conservative DG method for the micro-macro decomposition of the Vlasov–Poisson–Lenard–Bernstein model

The micro-macro (mM) decomposition approach is considered for the numerical solution of the Vlasov– Poisson–Lenard–Bernstein (VPLB) system, which is relevant for plasma physics applications. In the mM approach, the kinetic distribution function is decomposed as $f$ = $\mathscr{E}$[$ρ_f$] + g , where $\mathscr{E}$ is a local equilibrium distribution, depending on the macroscopic moments $ρ_f$ = $∫_{\mathbb{R}}$ $efdv$ = $\langle$$ef$$\rangle$$_{\mathbb{R}}$, where e = (1, $v$, $\frac{1}{2}$ $v^2$) T , and $g$, the microscopic distribution, is defined such that $\langle$$eg$$\rangle$$_{\mathbb{R}}$ = 0. We aim to design numerical methods for the mM decomposition of the VPLB system, which consists of coupled equations for $ρ_f$ and $g$. To this end, we use the discontinuous Galerkin (DG) method for phase-space discretization, and implicit-explicit (IMEX) time integration, where the phase-space advection terms are integrated explicitly and the collision operator is integrated implicitly. We give special consideration to ensure that the resulting mM method maintains the $\langle$$eg$$\rangle$$_{\mathbb{R}}$ = 0 constraint, which may be necessary for obtaining (i) satisfactory results in the collision dominated regime with coarse velocity resolution, and (ii) unambiguous conservation properties. The constraint-preserving property is achieved through a consistent discretization of the equations governing the micro and macro components. Here, we present numerical results that demonstrate the performance of the mM method. The mM method is also compared against a corresponding DG-IMEX method solving directly for $f$.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Dual atom catalysts for rapid electrochemical reduction of CO to ethylene

Strong CO adsorption and facile CO dimerization are the key challenges in electrochemical CO2 reduction towards multi-carbon (C2+) products. We recently showed that CoPc immobilized on a single-walled carbon nanotube can selectively reduce CO2 to methanol. This is enabled through molecular strain, which dramatically improves the CO adsorption energy to CoPc, which in turn facilitates methanol formation. We now examine the extended Phthalocyanine (PcEx) dual atom catalyst (DAC), which is intrinsically strained and contains two catalyst centers, making it a candidate for reducing CO to C2+ products. Using Quantum Mechanics (QM), we screened 20 elements embedded in the PcEx, seeking catalysts with weak hydrogen binding, strong CO binding, and facile CO dimerization. We identi>ied Fe, Ru, Co, and Ir as the best performers and subsequently evaluated the entire CO to C2H4 mechanism (9 steps) using each of these elements as catalysts. In terms of limiting potential and overall exergonicity, we identi>ied CoPcEx as the best catalyst, followed by IrPcEx. We then examined the full CO to C2H4 mechanism on the bimetallic IrCoPcEx catalyst using grand canonical QM to obtain the reaction energetics as a function of applied potential. We conclude that the bimetallic IrCoPcEx is most promising for ef>iciently converting CO to ethylene.

Musgrave, Charles B.↗