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At least 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Collaborative Proposal: Improving Decadal Prediction of Arctic Climate Variability and Change Using a Regional Arctic System Model (RASM)

RASM is a multi-disciplinary project, which brings together researchers from six state universities, one military postgraduate school, and one DoE laboratory to address the core modeling objectives of the arctic research community articulated in the Arctic System Modeling report by Roberts et al. (2010b). This report advocates the construction of a regional downscaling tool to generate probabilistic decadal projections of Greenland ice sheet retreat, evolution of arctic sea ice cover, changes in land surface vegetation, and regional processes leading to arctic amplification. Unified coupled models such as RASM are ideal for this purpose because they simulate fine-scale physics, essential for the realistic representation of intra-annual variability, in addition to processes fundamental to long term climatic shifts (Hurrell et al. 2009). By using RASM with boundary conditions from a global model, we can generate many-member ensembles essential for understanding uncertainty in regional climate projections (Hawkins and Sutton 2009). This probabilistic approach is computationally prohibitive for high-resolution global models in the foreseeable future, and also for regional models interactively nested within global simulations. Yet it is fundamental for quantifying uncertainty in decadal forecasts to make them useful for decision makers (Doherty et al. 2009). For this reason, we have targeted development of ensemble generation techniques as a core project task (Task 4.5). Environmental impact assessment specialists need high-fidelity regional ensemble projections to improve the accuracy of their work (Challinor et al. 2009; Moss et al. 2010). This is especially true of the Arctic, where economic, social and national interests are rapidly reshaping the high north in step with regional climate change. During the next decade, considerable oil and gas discoveries are expected across many parts of the marine and terrestrial Arctic (Gautier et al. 2009), the economics of the Northern Sea Route will steadily improve (Arctic Council 2009), and sovereign claims over the Arctic Ocean will increasingly be subject to international negotiations (Proelss 2009). Issues such as these have led to an expanding demand for Arctic climate projections to aid national and commercial decisions. However, detailed information from existing models is lacking. RASM will enhance the existing Arctic system modeling capabilities and align them with the scientific and societal needs outlined above. The science involved in the development of RASM will be integrated with teaching and training at a few different levels. RASM PIs will supervise at least six postdoctoral and doctoral students with additional involvement of undergraduate research assistants. RASM postdoctoral fellows and graduate trainees will benefit from being a part of a large, collaborative, and multi-disciplinary research projects employing state-of-the-art modeling and computational tools. They will also have the opportunity to contribute to the UTEP-led education and outreach effort developed specifically for RASM. The UTEP team will use RASM as a platform for education and outreach. First, we will develop products for public dissemination, such as curriculum units, lesson plans and other materials (simulations, movies, and images) for use by students and teachers in high school and university classrooms. Second, we will facilitate bringing RASM PIs, postdocs, and graduate students into the classroom, through electronic mentorship and by contributing content via online lectures and presentations. Third, by the use of problem-based learning (PBL) approaches, we will provide real-world scenarios and problems enabling students to do research and develop position papers or presentations on topics related to RASM. (Problem-based learning is a student-centered, inquiry-based approach in which students work in teams to solve challenging, open-ended problems.) Fourth, we will develop teacher-training materials that will be developed into workshops (face-to-face or online) to help teachers understand how to use the materials we supply. Overall, we will provide a broad, and long-term RASM program for education and outreach. RASM education and outreach activities will target underrepresented populations - in particular, Hispanic students and teachers. For example, the UTEP student body is more than 70 percent Hispanic and 55 percent female, and the majority of students are the first in their families to attend college. Students from underrepresented groups will be given the chance to expand their understanding of the different scientific knowledge and processes associated with RASM. We will develop an eye-catching RASM website to include information about the project, model results and educational materials, and lists of RASM publications and presentations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Use of protein cross-linking and radiolytic footprinting to elucidate PsbP and PsbQ interactions within higher plant Photosystem II

We used protein cross-linking and radiolytic footprinting coupled with high-resolution mass spectrometry to examine the structure of PsbP and PsbQ when they are bound to Photosystem II, in this paper. In its bound state, the N-terminal 15-amino-acid residue domain of PsbP, which is unresolved in current crystal structures, interacts with domains in the C terminus of the protein. These interactions may serve to stabilize the structure of the N terminus and may facilitate PsbP binding and function. These interactions place strong structural constraints on the organization of PsbP when associated with the Photosystem II complex. Additionally, amino acid residues in the structurally unresolved loop 3A domain of PsbP ( 90 K– 107 V), 93 Y and 96 K, are in close proximity (≤11.4 Å) to the N-terminal 1E residue of PsbQ. Our findings are the first, to our knowledge, to identify a putative region of interaction between these two components. Cross-linked domains within PsbQ were also identified, indicating that two PsbQ molecules can interact in higher plants in a manner similar to that observed by Liu et al. [(2014) Proc Natl Acad Sci 111(12):4638–4643] in cyanobacterial Photosystem II. Furthermore, this interaction is consistent with either intra-Photosystem II dimer or inter-Photosystem II dimer models in higher plants. Finally, OH• produced by synchrotron radiolysis of water was used to oxidatively modify surface residues on PsbP and PsbQ. Finally, domains on the surface of both protein subunits were resistant to modification, indicating that they were shielded from water and appear to define buried regions that are in contact with other Photosystem II components.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Neutrino(antineutrino)–nucleus interactions in the shallow- and deep-inelastic scattering regions

In $\nu /\bar{\nu }$–nucleon/nucleus interactions shallow inelastic scattering ($\text{SIS}$) is technically defined in terms of the four-momentum transfer to the hadronic system as non-resonant meson production with $Q^2 \lessapprox 1 \text {GeV}^2$. This non-resonant meson production intermixes with resonant meson production in a regime of similar effective hadronic mass W of the interaction. As $Q^2$ grows and surpasses this $ ≈1 \text{GeV}^2$ limit, non-resonant interactions begin to take place with quarks within the nucleon indicating the start of deep inelastic scattering ($\text{DIS}$). To essentially separate this resonant plus non-resonant meson production from $\text{DIS}$ quark-fragmented meson production, a cut of 2 $\text{GeV}$ in W of the interactions is generally introduced. However, since experimentally mesons from resonance decay cannot be separated from non-resonant produced mesons, $\text{SIS}$ for all practical purposes in this review has been defined as inclusive meson production that includes non-resonant plus resonant meson production and the interference between them. Experimentally then for $W \lessapprox 2 \text{GeV}$ inclusive meson production with $W \gtrapprox (M_N + M_π)$ and all $Q^2$ is here defined as $\text{SIS}$, while for $W \gtrapprox 2 \text {GeV}$, the kinematic region with $Q^2 \gtrapprox 1 \text{GeV}^2$ is defined as DIS$\text{DIS}$degrees of attention from the community. While the theoretical/phenomenological study of $\nu$–nucleon and $\nu$–nucleus $\text{DIS}$ scattering is advanced, such studies of a large portion of the $\text{SIS}$ region, particularly the $\text{SIS}$ to $\text{DIS}$ transition region, have hardly begun. Experimentally, the $\text{SIS}$ and the $\text{DIS}$ regions for $\nu$–nucleon scattering have minimal results and only in the experimental study of the $\nu$–nucleus $\text{DIS}$ region are there significant results for some nuclei. Inasmuch as current and future neutrino oscillation experiments have contributions from both higher $W \text{SIS}$ and $\text{DIS}$ kinematic regions and these regions are in need of both considerable theoretical and experimental study, this review will concentrate on these $\text{SIS}$ to $\text{DIS}$ transition and $\text{DIS}$ kinematic regions surveying our knowledge and the current challenges.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Electron Trapping and Ion Leaching at the Li-Modified Quartz–Water Interface

Electrons and ions at metal oxide-water interfaces have a critical role in many phenomena and applications, thus making their properties of considerable interest. We here investigate the behavior of a lithium impurity at the water interface with Li-doped SiO 2 using hybrid density functional based ab initio molecular dynamics simulations. We find that the excess electron donated by the lithium dopant localizes on a surface silicon atom and is partially solvated at the aqueous interface. While the position of the excess electron does not change during our ~60 ps simulation, the lithium cation diffuses from its initial position in the SiO 2 subsurface toward the interface and eventually leaches out of the oxide surface and becomes solvated by four water molecules, forming an aqueous Li+- electron complex at the interface. The degree of interaction between the localized electron and the lithium ion controls not only the energy level of the excess electron but also the extent of structural distortion and hydrogen-bonding at the interface. The results of our study can be relevant for understanding the initial stages of glass corrosion, where alkali ions are leached from the surface region by interactions with water.

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

Improvements in the orbitalwise scaling down of Perdew–Zunger self-interaction correction in many-electron regions

The Perdew-Zunger (PZ) method offers a way to remove the self-interaction (SI) error from density functional approximations on an orbital by orbital basis. The PZ method provides significant improvements for the properties such as barrier heights or dissociation energies but results in over-correcting the properties well described by SI-uncorrected semi-local functional. One cure to rectify the over-correcting tendency is to scale down the magnitude of SI-correction of each orbital in the many electron region. We have implemented the orbitalwise scaled down SI-correction (OSIC) scheme of Vydrov et al. [J. Chem. Phys. 124, 094108 (2006)] using the Fermi-L owdin SI-correction method. After validating the OSIC implementation with previously reported OSICLSDA results, we examine its performance with the most successful non-empirical SCAN meta-GGA functional. Using different forms of scaling factors to identify one-electron regions, we assess the performance of OSIC-SCAN for a wide range of properties: total energies, ionization potentials and electron affinities for atoms, atomization energies, dissociation and reaction energies, and reaction barrier heights of molecules. Our results show that OSIC-SCAN provides superior results than the previously reported OSIC-LSDA, -PBE, and -TPSS results. Furthermore, we propose selective scaling of OSIC (SOSIC) to remove its major shortcoming that destroys the -1/r asymptotic behavior of the potentials. The SOSIC method gives the highest occupied orbital eigenvalues practically identical to those in PZSIC and unlike OSIC provides bound atomic anions even with larger powers of scaling factors. Furthermore, SOSIC compared to PZSIC or OSIC provides more balanced description of total energies and barrier heights.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1998

Nonlinear Interaction of Detuned Instability Waves in Boundary-Layer Transition: Resonant-Triad Interaction

The non-equilibrium critical-layer analysis of a system of frequency-detuned resonant-triads is presented using the generalized scaling of Lee. It is shown that resonant-triads can interact nonlinearly within the common critical layer when their (fundamental) Strouhal numbers are different by a factor whose magnitude is of the order of the growth rate multiplied by the wavenumber of the instability wave. Since the growth rates of the instability modes become larger and the critical layers become thicker as the instability waves propagate downstream, the frequency-detuned resonant-triads that grow independently of each other in the upstream region can interact nonlinearly in the later downstream stage. In the final stage of the non-equilibrium critical-layer evolution, a wide range of instability waves with the scaled frequencies differing by almost an Order of (l) can nonlinearly interact. Low-frequency modes are also generated by the nonlinear interaction between oblique waves in the critical layer. The system of partial differential critical-layer equations along with the jump equations are presented here. The amplitude equations with their numerical solutions are given in Part 2. The nonlinearly generated low-frequency components are also investigated in Part 2.

Lee, Sang Soo↗
DOE OSTI2014

Structural and bioinformatic characterization of an Acinetobacter baumannii type II carrier protein

The high-resolution crystal structure of a free-standing carrier protein from Acinetobacter baumannii that belongs to a larger NRPS-containing operon, encoded by the ABBFA-003406–ABBFA-003399 genes of A. baumannii strain AB307-0294, that has been implicated in A. baumannii motility, quorum sensing and biofilm formation, is presented. Microorganisms produce a variety of natural products via secondary metabolic biosynthetic pathways. Two of these types of synthetic systems, the nonribosomal peptide synthetases (NRPSs) and polyketide synthases (PKSs), use large modular enzymes containing multiple catalytic domains in a single protein. These multidomain enzymes use an integrated carrier protein domain to transport the growing, covalently bound natural product to the neighboring catalytic domains for each step in the synthesis. Interestingly, some PKS and NRPS clusters contain free-standing domains that interact intermolecularly with other proteins. Being expressed outside the architecture of a multi-domain protein, these so-called type II proteins present challenges to understand the precise role they play. Additional structures of individual and multi-domain components of the NRPS enzymes will therefore provide a better understanding of the features that govern the domain interactions in these interesting enzyme systems. The high-resolution crystal structure of a free-standing carrier protein from Acinetobacter baumannii that belongs to a larger NRPS-containing operon, encoded by the ABBFA-003406–ABBFA-003399 genes of A. baumannii strain AB307-0294, that has been implicated in A. baumannii motility, quorum sensing and biofilm formation, is presented here. Comparison with the closest structural homologs of other carrier proteins identifies the requirements for a conserved glycine residue and additional important sequence and structural requirements within the regions that interact with partner proteins.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1974

An experimental test of the homogeneity of the interstellar medium

Observations of nonthermal continuum radio emission at 750 MHz and hydrogen-line emission at 1420 MHz have been compared in order to test the extent to which cosmic-ray electrons, magnetic fields, and hydrogen gas coexist in the interstellar medium. If the interstellar medium is homogeneous in the sense that its constituents are mixed together and can interact, then regions of line and continuum emission should be spatially correlated. The measurements indicate that at most 28% of continuum emission in the Galaxy comes from such a homogeneous medium. The remaining nonthermal emission agrees in magnitude with the residual emission found by Berkhuijsen after subtraction of the polarized component of nonthermal emission. In addition, the data discussed here show that the major filamentary structures found in the two forms of emission rarely coincide spatially. Consequently, both the average and the exceptional structure in the medium indicate that the synchrotron-radiating magnetoplasma and the neutral hydrogen gas are not closely interacting in the present state of the medium.

Baker, P. L.↗
DOE OSTI2018

Climate extremes, land–climate feedbacks and land-use forcing at 1.5°C

This article investigates projected changes in temperature and water cycle extremes at 1.5°C global warming, and highlights the role of land processes and land-use changes (LUC) for these projections. We provide new comparisons of changes in climate at 1.5°C vs 2°C based on empirical sampling analyses of transient simulations vs simulations from the 'Half a degree Additional warming, Prognosis and Projected Impacts' (HAPPI) multi-model experiment. The two approaches yield overall similar results regarding changes in climate extremes on land, and reveal a substantial difference in regional extremes occurrence at 1.5°C vs 2°C. Land processes mediated through soil moisture feedbacks and land-use forcing play a major role for projected changes in extremes at 1.5°C in most mid-latitude regions, including densely populated areas in North America, Europe and Asia. This has important implications for low-emissions scenarios derived from Integrated Assessment Models (IAMs), which include major LUC in ambitious mitigation pathways (e.g. associated with increased bioenergy use), but are also shown to differ in the simulated LUC patterns. Biogeophysical effects from LUC are not considered in the development of IAM scenarios, but play an important role for projected regional changes in climate extremes, and are thus of high relevance for sustainable development pathways.

Seneviratne, Sonia I. (ORCID:0000000195282917)↗
DOE OSTI2015

Regulation of retinoid X receptor gamma expression by fed state in mouse liver

Glucose metabolism is balanced by glycolysis and gluconeogenesis with precise control in the liver. The expression of genes related to glucose metabolism is regulated primarily by glucose and insulin at transcriptional level. Nuclear receptors play important roles in regulating the gene expression of glucose metabolism at transcriptional level. Some of these nuclear receptors form heterodimers with RXRs to bind to their specific regulatory elements on the target promoters. To date, three isotypes of RXRs have been identified; RXRα, RXRβ and RXRγ. However, their involvement in the interactions with other nuclear receptors in the liver remains unclear. In this study, we found RXRγ is rapidly induced after feeding in the mouse liver, indicating a potential role of RXRγ in controlling glucose or lipid metabolism in the fasting–feeding cycle. In addition, RXRγ expression was upregulated by glucose in primary hepatocytes. This implies that glucose metabolism governed by RXRγ in conjunction with other nuclear receptors. The luciferase reporter assay showed that RXRγ as well as RXRα increased SREBP-1c promoter activity in hepatocytes. These results suggest that RXRγ may play an important role in tight control of glucose metabolism in the fasting–feeding cycle. - Highlights: • Refeeding increases the RXRγ expression level in mouse liver. • RXRγ expression is induced by high glucose condition in primary hepatocytes. • RXRγ and LXRα have synergistic effect on SREBP-1c promoter activity. • RXRγ binds to LXRE(-299/-280) located within SREBP-1c promoter region and interacts with LXRα.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

A magnetic field cloak for charged particle beams

Shielding charged particle beams from transverse magnetic fields is a common challenge for particle accelerators and experiments. In this study, we demonstrate that a magnetic field cloak is a viable solution. It allows for the use of dipole magnets in the forward regions of experiments at an Electron Ion Collider (EIC) and other facilities without interfering with the incoming beams. The dipoles can improve the momentum measurements of charged final state particles at angles close to the beam line and therefore increase the physics reach of these experiments. In contrast to other magnetic shielding options (such as active coils), a cloak requires no external powering. We discuss the design parameters, fabrication, and limitations of a magnetic field cloak and demonstrate that cylinders made from 45 layers of YBCO high-temperature superconductor, combined with a ferromagnetic shell made from epoxy and stainless steel powder, shield more than 99% of a transverse magnetic field of up to 0.45 T (95% shielding at 0.5 T) at liquid nitrogen temperature. Lastly, the ferromagnetic shell reduces field distortions caused by the superconductor alone by 90% at 0.45 T.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1993

Interactive flare sites within an active region complex

We examine here a set of images of an active region complex, acquired on June 24-25, 1980, by the Hard X-ray Imaging Spectrometer on SMM, with the purpose of establishing whether there was any interplay between the frequent activity observed at different sites in the activity center and, in such a case, how the interaction was established. By analyzing both quiet and active orbits we show that, as a rule, activity originating in one region triggers the other region's activity. However, we find little unambiguous evidence for the presence of large-scale interconnecting loops. A comparison of X-ray images with magnetic field observations suggested that we interpret the active region behavior in terms of the interaction between different loop systems, in a scenario quite analogous to the interacting bipole representation of individual flares. We conclude that active region interplay provides an easily observable case to study the time-dependent topology and the mechanisms for the spreading of activity in transient events over all energy scales.

Poletto, G.↗
DOE OSTI2024

First-principles investigation of lanthanides diffusion in HCP zirconium via vacancy-mediated transport

The diffusion of lanthanide fission products plays an important role in the growth of the fuel-cladding chemical interaction (FCCI) region in metallic fuels. The use of a Zr interdiffusion barrier may mitigate the transport of lanthanides from the fuel to the cladding, but the efficacy of such a liner is not yet known. In this paper, the stability and vacancy-mediated diffusion of La, Ce, Pr, and Nd in hexagonal close-packed (HCP) Zr is investigated via density functional theory (DFT) calculations and self-consistent mean field (SCMF) analysis. DFT is used to calculate the formation, binding, and migration energies of vacancies and vacancy-solute pairs. The DFT energetics are used in the KineCluE code to calculate the Onsager transport coefficients. La is found to be the fastest diffusing species in HCP Zr and experiences an almost isotropic diffusion behavior. The other three species (Ce, Pr, and Nd) demonstrate anisotropic diffusion where the diffusion in the basal planes is significantly faster than that along the c-axis. Further, the calculated lanthanide diffusivities in HCP Zr are fitted to an Arrhenius relation and the activation energies and prefactors are reported for the first time. Furthermore, the vacancy drag and the segregation tendencies were analyzed using the calculated off-diagonal transport coefficients. According to our vacancy-mediated diffusion model, lanthanides are expected to be enriched at vacancy sinks at low temperatures, while at high temperatures, lanthanides are depleted at sinks and will preferably diffuse into the bulk. The enrichment/depletion transition temperature depends on the diffusion direction (basal or axial) and hence will be controlled by the grain texture and orientation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2017

The Warm Plasma Composition in the Inner Magnetosphere during 2012–2015

Ionospheric heavy ions play an important role in the dynamics of Earth's magnetosphere. The greater mass and gyro radius of ionospheric oxygen differentiates its behavior from protons at the same energies. Oxygen may have an impact on tail reconnection processes, and it can at least temporarily dominate the energy content of the ring current during geomagnetic storms. At sub-keV energies, multi-species ion populations in the inner magnetosphere form the warm plasma cloak, occupying the energy range between the plasmasphere and the ring current. Lastly, cold lighter ions from the mid-latitude ionosphere create the co-rotating plasmasphere whose outer regions can interact with the plasma cloak, plasma sheet, ring current, and outer electron belt. Here in this paper we present a statistical view of warm, cloak-like ion populations in the inner magnetosphere, contrasting in particular the warm plasma composition during quiet and active times. We study the relative abundances and absolute densities of warm plasma measured by the Van Allen Probes, whose two spacecraft cover the inner magnetosphere from plasmaspheric altitudes close to Earth to just inside geostationary orbit. We observe that warm (>30 eV) oxygen is most abundant closer to the plasmasphere boundary whereas warm hydrogen dominates closer to geostationary orbit. Warm helium is usually a minor constituent, but shows a noticeable enhancement in the near-Earth dusk sector.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Investigation of the Tribological Properties of AlxSi-1.2Fe(Mn) (x = 5-13 wt.%) Alloys

The effect of Fe-impurity and Mn modification on the sliding wear behavior of Al-xSi-1.2Fe(Mn) (x = 5-13 wt.%) alloys was investigated in dry sliding against AISI 52100 steel. According to the results, in the Si range of 5-9 wt.%, Fe-impurity promotes the formation of finely distributed β-Al{sub 5}FeSi intermetallics in the matrix increasing its hardness and potential to support the tribolayer leading to the improved wear characteristics. The presence of Fe in the composition of Al-(9-13)Si alloys, however, leads to the formation of primary β-platelets that their sizes and volume fractions increase with Si concentration. The formation of primary compounds increases the hardness, but makes the alloys less ductile and more vulnerable to microcracking and wear. Manganese modification converts the β-Fe platelets to the α-Al{sub 15}(Fe,Mn){sub 3}Si{sub 2} compounds with different morphologies. The substitution of fine β-platelets by α-Chinese scripts in Al-(5-9)Si-1.2FeMn alloys reduces the wear resistance, but the formation of primary α-compounds with star-like or polyhedral morphologies in Al-(9-13)Si-1.2FeMn alloys improves their wear characteristics. Moreover, it was found that the formation of Fe(Mn)-rich compounds affects the friction coefficient which is likely due to the fracture of particles in the subsurface region, their interaction with contacting surfaces, and their effect on the stability of the tribolayer.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Interactions between myocardial sympathetic denervation and left ventricular mechanical dyssynchrony: A CZT analysis

Background: A correlation between left ventricular (LV) dyssynchrony (LVD) and impaired myocardial sympathetic tone has been hypothesized. We sought to assess the interactions between regional LV sympathetic innervation, perfusion, and mechanical dyssynchrony. Methods: Eighty-three patients underwent evaluation of LV perfusion and sympathetic innervation on {sup 99m}Tc-tetrofosmin/{sup 123}I-metaiodobenzylguanidine ({sup 123}I-MIBG) imaging. The summed rest score and summed {sup 123}I-MIBG score (SS-MIBG) were computed. The extent of “innervation/perfusion” mismatch was defined as the number of denervated LV segments with relatively preserved perfusion. LVD was evaluated on phase analysis and the wall with latest mechanical activation identified. Results: LVD was revealed in 36 (43%) patients. Patients with LVD had more abnormal values of SRS (21 ± 9 vs 10 ± 8, P < 0.001) and SS-MIBG (29 ± 9 vs 17 ± 11, P < 0.001) than those without LVD. The presence of LVD also clustered with a higher burden of “innervation/perfusion” mismatch (P = 0.019). On per-wall analysis, LV walls with delayed mechanical activation showed a higher burden of “innervation/perfusion” mismatch (2.3 ± 1.4 segments) than normally contracting walls (1.3 ± 1.2 segments; P < 0.001). On multivariate analysis, the extent of “innervation/perfusion” mismatch was the only predictor of delayed mechanical activation (P = 0.029). Conclusions: Patients with LVD show an elevated burden of “innervation/perfusion” mismatch that is concentrated at the level of the most dyssynchronous walls.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2016

A mixed model approach for evaluating yield improvements in interspecific hybrids of shrub willow, a dedicated bioenergy crop

Lignocellulosic bioenergy crops such as shrub willow (Salix spp.) are expected to have a significant role in climate mitigation strategies. Yield is perhaps the most important trait for genetic selection and development of biomass feedstocks, but the selection process is complicated by the strong influence that environmental factors has on cultivar performance. Understanding the genotype-by-environment interactions using regional yield trials of shrub willow will inform future breeding efforts and improve the ability to make regionally-specific cultivar recommendations. Here we analyzed two yield trial datasets containing genotypes from successive rounds of breeding using a series of mixed models. Stability variance parameters were used together with overall yields to identify genotypes with stable yields or specific adaptation. Analysis of the first dataset revealed a group of triploid interspecific hybrid cultivars with exceptional performance and specific adaptation to either poor or good quality environments. The best performing cultivar showed a 14% yield improvement over the mean of the check cultivars. In the second dataset, new selections were assessed along with the top performing cultivars from dataset 1. New triploid hybrids had yields 19 to 27% greater than the check cultivar and exhibited similar patterns of specific adaptation as some of the selections from the first dataset. Partial least squares regression analysis indicated that top-yielding genotypes were favored in environments with higher temperatures and greater growing degree days. This analysis demonstrates incremental improvements in yield with successive rounds of breeding through the development of interspecific triploid hybrids.

09 BIOMASS FUELS↗
DOE OSTI2026

Quantitative SANS and multi-model analysis of spacer-dependent micellization of urea-based gemini surfactants

The micellization behavior of urea-based cationic gemini surfactants was investigated using small-angle neutron scattering (SANS) with multi-model form factor analysis. A homologous series of surfactants with urea group included in the hydrophobic tail and polymethylene spacers consisting of two to ten methylene units was analyzed using three form factor models: a core–shell ellipsoid and two variants of homogeneous ellipsoids. The results from all models show a consistent trend of the micelle structures, confirming that the spacer length critically influences micellar geometry, aggregation number, and hydration. The surfactant with four CH 2 groups in the spacer formed the largest micelles with the highest aggregation number, while longer spacers led to progressively smaller, more compact aggregates. The shell hydration—quantified as the volume fraction of heavy water within the hydrophilic region—decreased systematically with increasing spacer length due to enhanced hydrophobicity of the headgroup-spacer region. Intermicellar interactions, modeled as screened Coulomb interaction using the rescaled mean spherical approximation (RMSA), revealed the strongest electrostatic repulsion for the case of four methylene groups in the spacer, corresponding to the highest micellar charge and largest interparticle spacing. The observed spacer-dependent trends were robust across all modeling approaches, demonstrating that the spacer length serves as a key structural determinant of self-assembly in this type of urea-based gemini systems. These findings provide insight into the design of gemini surfactants with tailored aggregation behavior for applications in drug delivery, nanostructure templating, and solubilization technologies.

Core–shell ellipsoid model↗