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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Transcriptome Mining Provides Insights into Cell Wall Metabolism and Fiber Lignification in Agave tequilana Weber

Resilience of growing in arid and semiarid regions and a high capacity of accumulating sugar-rich biomass with low lignin percentages have placed Agave species as an emerging bioenergy crop. Although transcriptome sequencing of fiber-producing agave species has been explored, molecular bases that control wall cell biogenesis and metabolism in agave species are still poorly understood. Here, through RNAseq data mining, we reconstructed the cellulose biosynthesis pathway and the phenylpropanoid route producing lignin monomers in A. tequilana, and evaluated their expression patterns in silico and experimentally. Most of the orthologs retrieved showed differential expression levels when they were analyzed in different tissues with contrasting cellulose and lignin accumulation. Phylogenetic and structural motif analyses of putative CESA and CAD proteins allowed to identify those potentially involved with secondary cell wall formation. RT-qPCR assays revealed enhanced expression levels of AtqCAD5 and AtqCESA7 in parenchyma cells associated with extraxylary fibers, suggesting a mechanism of formation of sclerenchyma fibers in Agave similar to that reported for xylem cells in model eudicots. Overall, our results provide a framework for understanding molecular bases underlying cell wall biogenesis in Agave species studying mechanisms involving in leaf fiber development in monocots.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1996

Statistical Tolerance and Clearance Analysis for Assembly

Tolerance is inevitable because manufacturing exactly equal parts is known to be impossible. Furthermore, the specification of tolerances is an integral part of product design since tolerances directly affect the assemblability, functionality, manufacturability, and cost effectiveness of a product. In this paper, we present statistical tolerance and clearance analysis for the assembly. Our proposed work is expected to make the following contributions: (i) to help the designers to evaluate products for assemblability, (ii) to provide a new perspective to tolerance problems, and (iii) to provide a tolerance analysis tool which can be incorporated into a CAD or solid modeling system.

statistical tolerance clearance analysis Monte-Car↗
DOE OSTI2016

HIGH-TEMPERATURE SAFETY TESTING OF IRRADIATED AGR-1 TRISO FUEL

High-Temperature Safety Testing of Irradiated AGR-1 TRISO Fuel John D. Stempien, Paul A. Demkowicz, Edward L. Reber, and Cad L. Christensen Idaho National Laboratory, P.O. Box 1625 Idaho Falls, ID 83415, USA Corresponding Author: john.stempien@inl.gov, +1-208-526-8410 Two new safety tests of irradiated tristructural isotropic (TRISO) coated particle fuel have been completed in the Fuel Accident Condition Simulator (FACS) furnace at the Idaho National Laboratory (INL). In the first test, three fuel compacts from the first Advanced Gas Reactor irradiation experiment (AGR-1) were simultaneously heated in the FACS furnace. Prior to safety testing, each compact was irradiated in the Advanced Test Reactor to a burnup of approximately 15 % fissions per initial metal atom (FIMA), a fast fluence of 3×1025 n/m2 (E > 0.18 MeV), and a time-average volume-average (TAVA) irradiation temperature of about 1020 °C. In order to simulate a core-conduction cool-down event, a temperature-versus-time profile having a peak temperature of 1700 °C was programmed into the FACS furnace controllers. Gaseous fission products (i.e., Kr-85) were carried to the Fission Gas Monitoring System (FGMS) by a helium sweep gas and captured in cold traps featuring online gamma counting. By the end of the test, a total of 3.9% of an average particle’s inventory of Kr-85 was detected in the FGMS traps. Such a low Kr-85 activity indicates that no TRISO failures (failure of all three TRISO layers) occurred during the test. If released from the compacts, condensable fission products (e.g., Ag-110m, Cs-134, Cs-137, Eu-154, Eu-155, and Sr-90) were collected on condensation plates fitted to the end of the cold finger in the FACS furnace. These condensation plates were then analyzed for fission products. In the second test, five loose UCO fuel kernels, obtained from deconsolidated particles from an irradiated AGR-1 compact, were heated in the FACS furnace to a peak temperature of 1600 °C. This test had two primary goals. First, the test was intended to assess the retention of fission products in loose kernels without the effects of the other TRISO layers (buffer, IPyC, SiC, and OPyC) or the graphitic matrix material comprising the compact. Second, this test served as an evaluation of the FACS fission product condensation plate collection efficiency.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

An End-to-End Framework for Verifying and Validating Manufacturing Design Integrity

Cyber attacks on networked automated manufacturing systems can severely impact part quality. In fact, malicious modifications may be introduced at any point during the manufacturing lifecycle. Therefore, it is vital to verify and validate that manufactured parts conform to their designs. This chapter describes a formal, end-to-end framework that verifies and validates the design integrity of manufactured parts by considering all potential points of alteration during precision manufacturing processes. The framework prevents unauthorized changes to computer-aided designs, verifies the correctness of translations from CAD models to G-code, maintains the integrity of G-code transferred to manufacturing machines, verifies the runtime execution of G-code and part geometry, and considers the contexts of manufacturing machine operations and how manufactured parts could be altered.

Jablonski, Matthew [Cybersecurity Manufacturing In↗
DOE OSTI2020

An experimental investigation of the effectiveness of Ar-CO 2 shielding gas mixture for the wire arc additive process

Wire arc additive manufacturing (AM) is the process by which a large, metallic structure is built layer-by-layer using a welding arc to melt a wire feedstock. A novel opportunity exists to alter the shielding gas composition to fabricate distinct geometrical features without altering the other AM parameters. In this paper, shielding gases with varied concentrations of Argon (Ar) and CO 2 was used to deposit three distinct geometric shapes (walls, infill, and overhang) using a wire-based additive manufacturing system utilizing the gas metal arc welding (GMAW) surface tension transfer (STT) process. Computer-aided design (CAD) models were sliced with a custom-built slicer, and the sliced algorithm was converted into optimal robotic toolpaths. A custom virtual instrument (VI) was built in LabVIEW to compare the temperature profiles on the surface during each deposition process. After each deposition, the geometric features were scanned, and the surface waviness value was evaluated. Tensile and Charpy impact coupons were extracted from the wall geometries in the longitudinal and transverse directions and tested. The results indicated that a higher CO 2 content produced higher melt pool temperatures to an extent, while lower contents of CO 2 resulted in a dimensionally accurate geometry. The data also indicated that the 2%/98% CO 2 /Ar blend produced scatter in tensile strength and the analysis of variance (ANOVA) shows significant difference. However, the intermediate range of CO 2 (5–10%) resulted in uniform tensile properties. Altogether, these results indicate that a 5%/95% CO 2 /Ar blend is the ideal shielding gas for lowering process temperatures and improving mechanical properties in wire arc additive manufacturing using the gas metal arc welding surface tension transfer process. Additionally, varying concentrations of Ar/CO 2 can be used within the same part in order to modify the local properties or process parameters such as strength, toughness, temperature, or dimensional features. This may improve overall manufacturing quality without sacrificing specific properties.

42 ENGINEERING↗
DOE OSTI2014

Surface Remeshing with Robust High-Order Reconstruction

Remeshing is an important problem in variety of applications, such as finite element methods and geometry processing. Surface remeshing poses some unique challenges, as it must deliver not only good mesh quality but also good geometric accuracy. For applications such as finite elements with high-order elements (quadratic or cubic elements), the geometry must be preserved to high-order (third-order or higher) accuracy, since low-order accuracy may undermine the convergence of numerical computations. The problem is particularly challenging if the CAD model is not available for the underlying geometry, and is even more so if the surface meshes contain some inverted elements. We describe remeshing strategies that can simultaneously produce high-quality triangular meshes, untangling mildly folded triangles and preserve the geometry to high-order of accuracy. Our approach extends our earlier works on high-order surface reconstruction and mesh optimization by enhancing its robustness with a geometric limiter for under-resolved geometries. We also integrate high-order surface reconstruction with surface mesh adaptation techniques, which alter the number of triangles and nodes. We demonstrate the utilization of our method to meshes for high-order finite elements, biomedical image-based surface meshes, and complex interface meshes in fluid simulations.

Ray, Navamita↗
DOE OSTI2018

Deformable Registration for Longitudinal Breast MRI Screening

MRI screening of high-risk patients for breast cancer provides very high sensitivity, but with a high recall rate and negative biopsies. Comparing the current exam to prior exams reduces the number of follow-up procedures requested by radiologists. Such comparison, however, can be challenging due to the highly deformable nature of breast tissues. Automated co-registration of multiple scans has the potential to aid diagnosis by providing 3D images for side-by-side comparison and also for use in CAD systems. Although many deformable registration techniques exist, they generally have a large number of parameters that need to be optimized and validated for each new application. Here, we propose a framework for such optimization and also identify the optimal input parameter set for registration of 3D T{sub 1}-weighted MRI of breast using Elastix, a widely used and freely available registration tool. A numerical simulation study was first conducted to model the breast tissue and its deformation through finite element (FE) modeling. This model generated the ground truth for evaluating the registration accuracy by providing the deformation of each voxel in the breast volume. An exhaustive search was performed over various values of 7 registration parameters (4050 different combinations of parameters were assessed) and the optimum parameter set was determined. This study showed that there was a large variation in the registration accuracy of different parameter sets ranging from 0.29 mm to 2.50 mm in median registration error and 3.71 mm to 8.90 mm in 95 percentile of the registration error. Mean registration errors of 0.32 mm, 0.29 mm, and 0.30 mm and 95 percentile errors of 3.71 mm, 5.02 mm, and 4.70 mm were obtained by the three best parameter sets. The optimal parameter set was applied to consecutive breast MRI scans of 13 patients. A radiologist identified 113 landmark pairs (~ 11 per patient) which were used to assess registration accuracy. The results demonstrated that using the optimal registration parameter set, a registration accuracy (in mm) of 3.4 [1.8 6.8] was achieved.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2018

A Study on the Use of XCT and FEA to Predict the Elastic Behavior of Additively Manufactured Parts of Cylindrical Geometry

Defining general criteria for the acceptability of defects within industrial components is often complicated, since the specific load conditions and the criticality of the given application should be considered individually. In order to minimize the risk of failure, high safety factors are commonly adopted during quality control. However this practice is likely to cause the rejection of components whose defects would be instead acceptable if a more sound knowledge of the component behaviour were achieved. Parts produced by additive manufacturing (AM) may suffer from various defects, including micro- or macro-holes, delamination and microstructural discontinuities. Such processes, which are specially suitable for one-off components, require robust and reliable inspection before a part is accepted or rejected, since the refusal of even a single part at the end of the production process represents a significant loss. For this reason, it would be very useful to simulate in a reliable way whether a certain defect is truly detrimental to the proper working of the part during operation or whether the component can still be used, despite the presence of a defect. To this purpose, the paper highlights the benefits of a synergistic interaction between Industrial X-ray computed tomography (XCT) and finite element analysis (FEA). Internal defects of additively manufactured parts can be identified in a non-destructive way by means of XCT. Then FEA can be performed on the XCT-based virtual model of the real component, rather than on the ideal CAD geometry. A proof of concept of this approach is proposed here for a reference construct produced in an Aluminium alloy by AM. Numerical results of the proposed combined XCT–FEA procedure are contrasted with experimental data from tensile tests. The findings sustain the reliability of the method and allow to assess its full provisional accuracy for parts of cylindrical geometry designed to operate in the elastic field. The paper moves a step beyond the present application limits of tomography as it is currently employed for AM parts and it evidences instead the possibility of extending the usage of tomography to acceptance testing and prediction of operative behaviour.

42 ENGINEERING↗
DOE OSTI2015

Computation of Effective Radiative Properties of Powders for Selective Laser Sintering Simulations

Selective laser sintering (SLS) is an additive manufacturing technique for rapidly creating parts directly from a computer-aided design (CAD) model by using a laser to fuse successive layers of powder. However, better understanding of the effect of particle-level variations on the overall build quality is needed. In this work, we investigated these effects computationally by considering the role of the particle size distribution and variations in the powder bed depth to mimic the part complexity found in overhangs and protrusions. In addition, the results from these studies can be distilled to obtain better effective material properties such as laser absorptivity and laser extinction coefficient that are needed for continuum models of the process. We implement a Monte Carlo ray-tracing algorithm within the discrete element model in the open-source simulation software MFiX. Random, loose-packed, particle bed structures are generated, and effective absorptivity and extinction coefficients are calculated. Results are compared against previous computational and experimental measurements for free, monodisperse, and deep powder beds, with good agreement being obtained. Correlations along with uncertainties are developed to allow the effective absorptivity and extinction coefficient as a function of various particle and operational parameters to be accurately set in SLS macroscale models.

Moser, Daniel↗
DOE OSTI2017

Type 2 diabetes mellitus correlates with systolic function during myocardial stress perfusion scanning with Nitrogen-13 ammonia PET

Background: The influence of type 2 diabetes mellitus (DM2) on systolic function is partially determined by the coronary vasodilator function, nevertheless, an independent effect is suspected. We evaluated the relationship between DM2 and systolic function considering PET quantitative myocardial perfusion. Methods: We analyzed 585 patients without a previous myocardial infarction referred to a rest and adenosine stress Nitrogen-13 ammonia PET. A bootstrapped multiple linear regression analysis was performed using DM2, stress myocardial blood flow (sMBF), myocardial perfusion reserve (MPR), and clinical risk factors as predictors and LVEF as the outcome variable; an interaction term was additionally investigated. Results: Two hundred and ninety male and 295 female patients (mean age 65.3 ± 9.9 and 67.4 ± 10 years, respectively) were included. 57.1% presented hypertension, 16% smoking, 37.6% hypercholesterolemia, 33.8% family history for CAD, and 15.2% DM2. The mean MPR was 2.13 ± 0.48 and 2.21 ± 0.60, mean sMBF was 2.01 ± 0.51 and 2.15 ± 0.54, and mean LVEF was 63% ± 10.4 and 67% ± 10.1 for diabetics and non-diabetics, respectively. A significant relation was detected for sMBF (B = 5.830 95% CI [3.505, 9.549], P = .001) and DM2 (B = −2.599 95% CI [−5.125, −0.119], P = .03) with LVEF. The interaction (DM2 × sMBF) yielded no significance (P = .512). Conclusion: DM2 influences PET-measured systolic function in patients without previous myocardial infarction independently from myocardial perfusion parameters. Our study supports the importance of DM2 as an independent risk factor for deteriorating systolic function.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2017

Noninvasive PET quantitative myocardial blood flow with regadenoson for assessing cardiac allograft vasculopathy in orthotopic heart transplantation patients

Background: Risk stratification and early detection of cardiac allograft vasculopathy (CAV) is essential in orthotopic heart transplantation (OHT) patients. This study assesses the changes in myocardial blood flow (MBF) noninvasively in OHT patients using quantitative cardiac PET with regadenoson. Methods: Twelve patients (Group 1) (8 males, 4 females, mean age 55 ± 7 years) with no history of post OHT myocardial ischemia were enrolled 5.4 ± 2.0 years after OHT. Fifteen patients (Group 2) (9 males, 6 females, mean age 71 ± 9 years) with intermediate pretest probability but not documented evidence for coronary artery disease (CAD) were also included to serve as control. Global and regional MBFs were assessed using dynamic {sup 13}N-NH{sub 3} PET at rest and during regadenoson-induced hyperemia. The coronary flow reserve (CFR) was also calculated as the ratio of hyperemic to resting MBF. Results: Mean regadenoson-induced rate-pressure products were similar in both groups, while there was an increase in resting rate-pressure product in Group 1 patients. Both mean and median values of resting MBF were higher in Group 1 than Group 2 patients (1.33 ± 0.31 and 1.01 ± 0.21 mL/min/g for Groups 1 and 2, respectively, P < .001), while mean hyperemic MBF values were similar in both Groups (2.68 ± 0.84 and 2.64 ± 0.94 mL/min/g, P = NS) but median hyperemic MBF values were lower in Group 1 than Group 2 patients (2.0 vs. 2.60 mL/min/g, P = .018). Both mean and median CFR values demonstrated a significant reduction for Group 1 compared to Group 2 patients (2.07 ± 0.74 vs 2.63 ± 0.48, P = .025). Conclusions: This study suggests that the MBF in OHT patients may be abnormal at resting state with diminished CFR. This hints that the epicardial and microvascular coronary subsystem may be exacerbated after OHT leading to the gradual progression of CAV. [French] French Abstract: Contexte: Cette étude pilote par tomographie a positrons évalue de manière quantitative les changements de perfusion myocardique et le risque de vasculopathie coronaire après transplantation cardiaque chez l’être humain. Méthodes: Douze patients (groupe 1) (8 hommes, 4 femmes, âge moyen 55 ± 7 ans) sans antécédents d'ischémie myocardique post-chirurgicale ont été étudiés après 5,4 ± 2,0 ans après transplantation cardiaque. Quinze patients (groupe 2) (9 hommes, 6 femmes, âge moyen 71 ± 9 ans) avec une probabilité intermédiaire mais sans signes objectifs de maladie coronarienne ont servi de contrôles. Les donnes de perfusion myocardique globales et régionales ont été évaluées par tomographie à positrons l'aide de{sup 13}N-NH3 au repos et durant l'hyperémie induite par le vasodilatateur coronarien régadénoson. La réserve de flux coronarien a été calculée sur base du rapport entre le flux myocardique hyperhémique induit par le régadénoson et le flux myocardique au repos. Résultats: les double produits (fréquence cardiaque x tension artérielle) moyens après régadénoson furent similaires chez les deux groups de patients. Par contre le double produit au repos était plus élevé dans le groupe de patient transplantés. Les valeurs moyennes et médianes de perfusion myocardique globale au repos ont été calculées à 1.33 ± 0.31 ml/min/g dans le groupe de patients transplantés et 1.01 ± 0.21 ml/min/g dans le groupe control (P < 0.001). Après régadénoson, les valeurs moyennes de perfusion myocardique se sont avérées similaires dans les deux groupes (2,68 ± 0,84 et 2,64 ± 0,94 ml/min/g, P > 0.05). Néanmoins les valeurs médianes se sont avérées inferieures dans le groupe 1 comparativement au groupe control (2,0 versus 2,60 ml/min/g; P = 0,018). Les valeurs moyennes et médianes de réserve de flux myocardique mesurées étaient significativement réduites chez les patient transplantés (2,07 ± 0,74) en comparaison aux patients du groupe 2 (2,63 ± 0,48; P = 0.025). Conclusion: La perfusion myocardique au repos peut s’avérer anormale après transplantation cardiaque et s’accompagner d’une diminution de la réserve du flux coronaire. Cette étude pilote suggère que les vaisseaux épicardiques et la micro-vascularisation du myocarde peuvent être atteints après transplantation et conduire à la maladie coronaire du greffon. [Spanish] Spanish Abstract: Antecedentes: la estratificación de riesgo y detección temprana de la vasculopatía del aloinjerto cardiaco (VAC) es esencial en los pacientes con trasplante cardiaco ortotópico (TCO). El presente estudio evalúa de forma no invasiva los cambios en el flujo sanguíneo miocárdico (FSM) en pacientes con TCO utilizando el PET cardiaco cuantitativo con regadenoson. Métodos: Doce pacientes (Grupo 1) (8 hombres, 4 mujeres, edad promedio 55 ± 7 años) sin historia de isquemia miocárdica posterior al TCO fueron incluidos después de 5.4 ± 2.0 años de ser trasplantados. Quince pacientes (Grupo 2) (9 hombres, 6 mujeres, edad promedio 71 ± 9 años) con probabilidad pre-prueba intermedia pero sin evidencia documentada de enfermedad arterial coronaria (EAC) fueron incluidos como grupo control. El FSM global y regional fueron evaluados utilizando el estudio PET dinámico con {sup 13}N-NH{sub 3} en reposo y durante la inducción de hiperemia con regadenoson. La reserva de flujo coronario (RFC) también fue calculada como la proporción entre el FSM hiperémico y el de reposo. Resultados: el producto de velocidad-presión promedio inducido por regadenoson fue similar en ambos grupos, mientras que existió un incremento de este producto velocidad-presión durante el reposo en el Grupo 1 de pacientes. Los valores de la media y mediana del FSM de reposo fueron mayores en el Grupo 1 que el Grupo 2 de pacientes (1.33 ± 0.31 y 1.01 ± 0.21 mL/min/g para los Grupos 1 y 2, respectivamente, P < 0.001). La media de los valores del FSM hiperémico fueron similares en ambos grupos (2.68 ± 0.84 and 2.64 ± 0.94 mL/min/g, P = NS), sin embargo la mediana fue menor en el Grupo 1 que en el Grupo 2 (2.0 vs. 2.60 mL/min/g, P = .018). Tanto la media como la mediana para los valores de la RFC demostraron una disminución significativa en el Grupo 1 comparada con el Grupo 2 (2.07 ± 0.74 vs. 2.63 ± 0.48, P = 0.025). Conclusiones: El presente estudio sugiere que el FSM en pacientes con TCO puede estar alterado en reposo con una RFC disminuida. Esto indica que los sistemas coronarios epicardico y microvascular pudieran estar inflamados posterior al TCO conduciendo a una progresión gradual de la VAC. [Chinese] Chinese Abstract: 背景: 对于原位心脏移植 (OHT) 病人, 早期检测移植心脏血管病变 (CAV) 和进行危险分层是必要的。 本研究拟通过类伽腺苷定 心脏 PET 显像, 非侵入性地评估 OHT 病人心肌血流 (MBF) 的变化。 方法: 研究对象分为两组。 第一组, 12个病人 (8 男, 4女, 平均 55 ± 7岁), OHT 后 5.4 ± 2.0 年, 没有 OHT 后心肌缺血。 第二组 (对照组), 15 个病人 (9 男, 6 女, 平均 71 ± 9 岁), 中等冠心病可能, 但尚未确诊。 分别于静息及类伽腺苷药物负荷下, 动态采集 {sup 13}N-NH{sub 3} PET 图像, 获得整体和局部 MBF。冠脉血流储备 (CFR) 通过负荷 MBF /静息 MBF 计算而得。 结果: 类伽腺苷负荷时, 反映心肌耗氧 的心率血压乘积在两组间没有差异, 但在静息时, 第一组明显高于第二组。静息时, 第一组 MBF 的平均值高于第二组 (1.33 ± 0.31 vs. 1.01 ± 0.21 mL/min/g, P < 0.001); 负荷时, 两组 MBF 的平均值无差异 (2.68 ± 0.84 vs. 2.64 ± 0.94 mL/min/g, P = NS), 但 MBF 的中位数第一组要低于第二组 (2.0 vs. 2.60 mL/min/g, P = 0.018), 且第一组 CFR 的平均值明显低于第二组 (2.07 ± 0.74 vs. 2.63 ± 0.48, P = 0.025)。 结论: 在原位心脏移植病人中, 冠脉血流储备以及静息心肌血流 均呈现明显异常。提示原位心脏移植后, 冠状动脉心外膜血管与微小血管功能均受损, 进而将逐渐导致移植心脏血管病变。 关键词: 动态PET, 类伽腺苷, 冠状动脉血流储备, 原位心脏移植, 移植心脏血管病变。.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2019

Clinical performance of Rb-82 myocardial perfusion PET and Tc-99m-based SPECT in patients with extreme obesity

Background: We evaluated the performance of stress imaging with technetium-99m-labeled tetrofosmin single-photon emission computed tomography (SPECT) and rubidium-82 positron emission tomography (PET) in patients with extreme obesity, defined as body mass index ≥40 kg/m{sup 2}. Methods: We identified patients with extreme obesity who underwent angiography in our center and either stress SPECT or PET within the previous six months. Cohorts of patients with extreme obesity and a <5% pretest likelihood of CAD who underwent SPECT (N = 25) or PET (N = 25) were also included. Results: In total, 108 patients who underwent SPECT (N = 57) or PET (N = 51) were identified. Scan interpretation was classified as definitely normal or abnormal in 83.3% of PET and 60.5% of SPECT scans, respectively (P < .01). PET demonstrated higher diagnostic accuracy and normalcy rate. PET was found to have higher specificity for the pooled cohort. Similar findings were observed using stenosis cut-offs of ≥50% and ≥70%. Conclusions: In patients with extreme obesity, PET enabled more definitive scan interpretation with less artifact compared to SPECT. PET provided higher diagnostic accuracy and specificity in the detection of obstructive coronary artery disease.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2019

Added prognostic value of left ventricular shape by gated SPECT imaging in patients with suspected coronary artery disease and normal myocardial perfusion

Background: Left ventricular (LV) remodeling is associated with adverse cardiovascular events. We evaluated the added prognostic value of LV shape index (SI) assessed by gated single-photon emission tomography (SPECT) in patients without known coronary artery disease (CAD). Methods and results: We studied 674 patients with normal myocardial perfusion and normal LV ejection fraction (EF) on stress gated SPECT imaging. An automated software program was used to calculate end-diastolic and end-systolic LVSI. An LVSI ≤ 0.54 at end-systole was considered normal. Follow-up was 96% complete with a median follow-up of 37 months. During follow-up, 25 events occurred (3.8% cumulative event rate). Event-free survival was lower in patients with abnormal end-systolic LVSI (P < .001). Age (P = .021), diabetes (P = .048), and end-systolic LVSI (P < .001) were independent predictors of events. LVSI added prognostic information increasing the global chi-square of the model including age and diabetes from 15.15 to 25.97 (P < .001). The effect of diabetes on hazard ratio increased with increasing values of end-systolic LVSI. The probability of events at 48 months predicted by Weibull analysis progressively increased with increasing values of end-systolic LVSI and was higher in patients with diabetes as compared to those without. Decision curve analyses indicate that the model including end-systolic LVSI resulted in an increased net benefit between 5% and 30% threshold probability, indicating superior estimation of outcomes at low threshold probability levels. Conclusions: The evaluation of LVSI may identify patients with early-stage LV remodeling and at higher risk of adverse cardiac events, even in the presence of normal myocardial perfusion.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2019

Additional value of systolic wall thickening in myocardial stunning evaluated by stress-rest gated perfusion SPECT

Aim and patients: The aim of the present study is to evaluate the additional value of systolic wall thickening to myocardial perfusion in diagnosing myocardial stunning in patients with angiography proven coronary artery disease. We selected 91 ischemic patients (82 males; mean age 59.7 ± 10.3) with CAD documented by angiography. Ischemia was defined as a summed difference score ≥5. All patients underwent a 2-day gated perfusion SPECT protocol. The patients received a dose of 740 MBq of {sup 99m}Tc-tetrofosmin after stress and at rest. Treadmill maximal exercise tests were performed on all patients. Results: The post-stress LVEF was significantly lower than rest LVEF (48.1% ± 10.3% vs 50.3% ± 10.7%; P = .0001). The wall thickening summed difference score was 4.44 ± 4.13 (P = .0001). At a multivariate regression analysis, only WT-SDS as independent variable was significantly correlated with myocardial ischemia (SDS). We also divided patients according to SDS in those with mild (SDS < 8) and severe (SDS ≥ 8) ischemia. WT-SDS, but not ∆LVEF, was significantly different between groups. Conclusions: WT-SDS, more than the depression in the global function (∆LVEF) of the left ventricle, correlates with the degree of ischemia and better identifies, when present, the stunning phenomenon.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2019

Impact of renin–angiotensin–aldosterone system polymorphisms on myocardial perfusion: Correlations with myocardial single photon emission computed tomography-derived parameters

Background: Renin–angiotensin–aldosterone system (RAAS) has an important role in atherosclerosis. We investigated the effects of six RAAS gene polymorphisms on myocardial perfusion. Methods and Results: We examined 810 patients with known or suspected coronary artery disease (CAD) using stress–rest myocardial single-photon emission computed tomography. Summed stress score (SSS), summed rest score (SRS), summed difference score (SDS), transient ischemic dilation (TID), and lung/heart ratio (LHR) were recorded. The following gene polymorphisms were investigated: angiotensin-converting enzyme (ACE) insertion/deletion (I/D), angiotensinogen (AGT) M235T and T174M, angiotensin II type 1 receptor (AT1R) A1166C, renin (REN) C5312T, and angiotensin II type 2 receptor (AT2R) C3123A. The heterozygotes or homozygotes on ACE D allele were 7.54 times more likely to have abnormal SSS, while the AGT (T174M) heterozygotes were 5.19 times more likely to have abnormal SSS. The homozygotes of ACE D had significantly higher values on TID and LHR, while the AGT (T174M) heterozygotes had higher values on TID. The AT1R heterozygotes had greater odds for having SSS ≥ 3. The patients carried AT1R homozygosity of C allele had significantly higher values on TID, while heterozygotes of AT1R had significantly higher values on LHR. Conclusions: Among the polymorphisms investigated, ACE D allele had the strongest association with abnormal myocardial perfusion.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2018

Comparison of Collisional and Electron-Based Dissociation Modes for Middle-Down Analysis of Multiply Glycosylated Peptides

Analysis of singly glycosylated peptides has evolved to a point where large-scale LC-MS analyses can be performed at almost the same scale as proteomics experiments. While collisionally activated dissociation (CAD) remains the mainstay of bottom-up analyses, it performs poorly for the middle-down analysis of multiply glycosylated peptides. With improvements in instrumentation, electron-activated dissociation (ExD) modes are becoming increasingly prevalent for proteomics experiments and for the analysis of fragile modifications such as glycosylation. While these methods have been applied for glycopeptide analysis in isolated studies, an organized effort to compare their efficiencies, particularly for analysis of multiply glycosylated peptides (termed here middle-down glycoproteomics), has not been made. We therefore compared the performance of different ExD modes for middle-down glycopeptide analyses. We identified key features among the different dissociation modes and show that increased electron energy and supplemental activation provide the most useful data for middle-down glycopeptide analysis. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Native Top-Down Mass Spectrometry and Ion Mobility MS for Characterizing the Cobalt and Manganese Metal Binding of α-Synuclein Protein

Structural characterization of intrinsically disordered proteins (IDPs) has been a major challenge in the field of protein science due to limited capabilities to obtain full-length high-resolution structures. Native ESI-MS with top-down MS was utilized to obtain structural features of protein-ligand binding for the Parkinson’s disease-related protein, α-synuclein (αSyn), which is natively unstructured. Binding of heavy metals has been implicated in the accelerated formation of αSyn aggregation. Using high-resolution Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry, native top-down MS with various fragmentation methods, including electron capture dissociation (ECD), collisional activated dissociation (CAD), and multistage tandem MS (MS{sup 3}), deduced the binding sites of cobalt and manganese to the C-terminal region of the protein. Ion mobility MS (IM-MS) revealed a collapse toward compacted states of αSyn upon metal binding. The combination of native top-down MS and IM-MS provides structural information of protein-ligand interactions for intrinsically disordered proteins. .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Numerical modeling of heat-transfer and the influence of process parameters on tailoring the grain morphology of IN718 in electron beam additive manufacturing

The fabrication of 3-D parts from CAD models by additive manufacturing (AM) is a disruptive technology that is transforming the metal manufacturing industry. The correlation between solidification microstructure and mechanical properties has been well understood in the casting and welding processes over the years. This paper focuses on extending these principles to additive manufacturing to understand the transient phenomena of repeated melting and solidification during electron beam powder melting process to achieve site-specific microstructure control within a fabricated component. In this paper, we have developed a novel melt scan strategy for electron beam melting of nickel-base superalloy (Inconel 718) and also analyzed 3-D heat transfer conditions using a parallel numerical solidification code (Truchas) developed at Los Alamos National Laboratory. The spatial and temporal variations of temperature gradient (G) and growth velocity (R) at the liquid-solid interface of the melt pool were calculated as a function of electron beam parameters. By manipulating the relative number of voxels that lie in the columnar or equiaxed region, the crystallographic texture of the components can be controlled to an extent. The analysis of the parameters provided optimum processing conditions that will result in columnar to equiaxed transition (CET) during the solidification. Furthermore, the results from the numerical simulations were validated by experimental processing and characterization thereby proving the potential of additive manufacturing process to achieve site-specific crystallographic texture control within a fabricated component.

43 PARTICLE ACCELERATORS↗