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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

The co-crystal structure of Cbl-b and a small-molecule inhibitor reveals the mechanism of Cbl-b inhibition

Cbl-b is a RING-type E3 ubiquitin ligase that is expressed in several immune cell lineages, where it negatively regulates the activity of immune cells. Cbl-b has specifically been identified as an attractive target for cancer immunotherapy due to its role in promoting an immunosuppressive tumor environment. A Cbl-b inhibitor, Nx-1607, is currently in phase I clinical trials for advanced solid tumor malignancies. Using a suite of biophysical and cellular assays, we confirm potent binding of C7683 (an analogue of Nx-1607) to the full-length Cbl-b and its N-terminal fragment containing the TKBD-LHR-RING domains. To further elucidate its mechanism of inhibition, we determined the co-crystal structure of Cbl-b with C7683, revealing the compound’s interaction with both the TKBD and LHR, but not the RING domain. Here, we provide structural insights into a novel mechanism of Cbl-b inhibition by a small-molecule inhibitor that locks the protein in an inactive conformation by acting as an intramolecular glue.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

CBL aggravates Ang II-induced cardiac hypertrophy via the VHL/HIF-1α pathway

Highlights: • 1. The expression of CBL is increased in Ang II-induced cardiac hypertrophy in vitro and in vivo. • The pro-hypertrophic function of CBL on Ang II-induced myocardial hypertrophy was mediated by HIF-1α. • CBL increased HIF-1α expression via regulating VHL. • CBL decreased VHL through directly promote its ubiquitination modification. CBL (Casitas B cell lymphoma), an important ubiquitin protein ligase, is involved in protein folding, protein maturation, and proteasome-dependent protein catabolism in different cells. However, its role in cardiac hypertrophy is still unclear. In this study, we found that expression of CBL is increased in an Ang II-induced mouse cardiac hypertrophy animal model and in Ang II-treated H9C2 cells. Interference with CBL expression attenuates the degree of myocardial hypertrophy as well as the expression of hypertrophy-related genes in H9C2 cells. Further research found that CBL aggravates myocardial hypertrophy by activating HIF-1α, which is an aggravating factor for hypertrophy. The effect of CBL on promoting myocardial hypertrophy was reversed by interference with HIF-1α. Mechanistically, we found that CBL directly interacted with and degraded VHL by increasing its ubiquitination level, which is a widely accepted regulatory factor of HIF-1α. Finally, our results showed that CBL was partially dependent on degradation of VHL and that activation of HIF-1α promoted myocardial hypertrophy. Collectively, these findings suggest that strategies based on activation of the CBL/HIF-1α axis might be promising for the treatment of hypertrophic cardiomyopathy.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Root angle in maize influences nitrogen capture and is regulated by calcineurin B-like protein (CBL)-interacting serine/threonine-protein kinase 15 ( ZmCIPK15 )

Crops with reduced nutrient and water requirements are urgently needed in global agriculture. Root growth angle plays an important role in nutrient and water acquisition. A maize diversity panel of 481 genotypes was screened for variation in root angle employing a high-throughput field phenotyping platform. Genome-wide association mapping identified several single nucleotide polymorphisms (SNPs) associated with root angle, including one located in the root expressed CBL-interacting serine/threonine-protein kinase 15 (ZmCIPK15) gene (LOC100285495). Reverse genetic studies validated the functional importance of ZmCIPK15, causing a approximately 10° change in root angle in specific nodal positions. A steeper root growth angle improved nitrogen capture in silico and in the field. OpenSimRoot simulations predicted at 40 days of growth that this change in angle would improve nitrogen uptake by 11% and plant biomass by 4% in low nitrogen conditions. In field studies under suboptimal N availability, the cipk15 mutant with steeper growth angles had 18% greater shoot biomass and 29% greater shoot nitrogen accumulation compared to the wild type after 70 days of growth. We propose that a steeper root growth angle modulated by ZmCIPK15 will facilitate efforts to develop new crop varieties with optimal root architecture for improved performance under edaphic stress.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Aerosols consistently suppress the convective boundary layer development

Aerosols with different vertical distribution and various optical properties induce diverse heating rates and thereby affecting convective boundary layer (CBL) development. Our results showed consistent CBL-suppression of aerosols during daytime with numerical experiments, in which aerosols were specified at different heights with synthesized single scattering albedo from 64 studies and asymmetry factor from 20 studies globally. Absorbing aerosols concentrated below but close to the CBL top had the strongest suppression effect on CBL development relative to that concentrated near surface or above CBL. Aerosol cooling effect by attenuating incident solar radiation and surface heat flux exceeded its warming effect by reheating the atmosphere layer with absorbed shortwave radiation, and eventually declined net heating rate, which inhibited CBL development, lowered mixed-layer potential temperature and stabilized atmospheric stratification. Stove effect of absorbing aerosols (CBL enhancement) under a zero background aerosol extinction coefficient is negligible for dominant dome effect (CBL suppression) which consistently suppresses CBL development regardless of aerosol vertical height and background aerosol extinction coefficient. Our study also highlighted the importance of specifying background aerosol extinction coefficient in numerical experiments for accurate assessment of aerosol radiative forcing and CBL-aerosol interactions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

The Spatial and Temporal Variability of the Clear Convective Boundary Layer at the ARM SGP Supersite

The convective boundary layer (CBL), also known as the mixing layer, constitutes the critical lower segment of the atmosphere that significantly influences daily human activities. The growing demand for precise weather forecasts is driven by the requirements of agriculture, transportation, and routine societal functions. Here, to enhance understanding of the CBL, this study investigates the spatiotemporal variability in the CBL and its controlling factors using four-year Doppler lidar, surface flux, and profiling measurements at five ARM Southern Great Plains sites within a 100 km radius. This investigation utilizes data collected exclusively under clear-sky conditions or scattered low-cloud conditions. Results reveal significant spatial differences in CBL evolutions. Daily mixing layer heights (MLHs) vary up to 1 km (30% of the mean) in late afternoon. There is a clear east–west contrast: western sites (C1, E32, E37) exhibit higher summer MLH (1.9–2.1 km) and vertical velocity variances (1.0–1.2 m 2 s −2 ) than eastern sites (1.6–1.8 km), reversing in winter. Temporally, the MLH peaks at 70% of the sunrise–sunset interval, the lagging heat flux (HF) peaks at 50%; and the seasonal MLH maxima lag the HF by approximately one month, influenced by nighttime PBL (planetary boundary layer) properties. The HF and lower tropospheric stability are the main factors of influence for the CBL, but site-specific dependencies highlight the critical roles of local factors, underscoring the need for including them in CBL modeling.

ARM SGP site↗
DOE OSTI2024

Impact of Momentum Perturbation on Convective Boundary Layer Turbulence

Mesoscale-to-microscale coupling is an important tool for conducting turbulence-resolving multiscale simulations of realistic atmospheric flows, which are crucial for applications ranging from wind energy to wildfire spread studies. Different techniques are used to facilitate the development of realistic turbulence in the large-eddy simulation (LES) domain while minimizing computational cost. Here, we explore the impact of a simple and computationally efficient Stochastic Cell Perturbation method using momentum perturbation (SCPM-M) to accelerate turbulence generation in boundary-coupled LES simulations using the Weather Research and Forecasting model. We simulate a convective boundary layer (CBL) to characterize the production and dissipation of turbulent kinetic energy (TKE) and the variation of TKE budget terms. Furthermore, we evaluate the impact of applying momentum perturbations of three magnitudes below, up to, and above the CBL on the TKE budget terms. Momentum perturbations greatly reduce the fetch associated with turbulence generation. When applied to half the vertical extent of the boundary layer, momentum perturbations produce an adequate amount of turbulence. However, when applied above the CBL, additional structures are generated at the top of the CBL, near the inversion layer. The magnitudes of the TKE budgets produced by SCPM-M when applied at varying heights and with different perturbation amplitudes are always higher near the surface and inversion layer than those produced by No-SCPM, as are their contributions to the TKE. This study provides a better understanding of how SCPM-M reduces computational costs and how different budget terms contribute to TKE in a boundary-coupled LES simulation.

17 WIND ENERGY↗
DOE OSTI2025

The Short Life of Upvalley Wind in a High‐Altitude Valley in the Colorado Rocky Mountains

Thermally driven upvalley (UV) wind in the upper East River Valley in the Colorado Rocky Mountains often unexpectedly stops in midmorning and reverses back to downvalley (DV) wind. We use a comprehensive observational data set for a nearly two‐year long period to analyze the wind system and boundary layer evolution in this high‐altitude valley and determine the reason for this early wind reversal. Days with short UV wind predominantly occur during the warm season when the valley floor is free of snow and the convective boundary layer (CBL) grows well above the height of the surrounding ridges. UV wind persists throughout the day only on a few days during the warm season. We link differences in valley wind evolution to wind direction at upper levels at and above ridge height and propose forced channeling mechanisms to describe coupling between valley and upper‐level wind when the CBL grows above ridge height. The frequency distribution of upper‐level wind direction is such that channeling in the DV direction is favored, which explains the predominance of days with short UV wind. The deep CBL is supported by the presence of a deep weakly stably stratified residual layer with high aerosol content, which is regularly present over the mountain range during the warm season. On days when the CBL does not grow above ridge height, for example, when the valley floor is covered by snow, thermally driven UV wind is able to persist throughout the day independent of upper‐level wind direction.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Improving the estimate of higher-order moments from lidar observations near the top of the convective boundary layer

Abstract. Ground-based lidar data have proven extremely useful for profiling the convective boundary layer (CBL). Many groups have derived higher-order moments (e.g., variance, skewness, fluxes) from high-temporal-resolution lidar data using an autocovariance approach. However, these analyses are highly uncertain near the CBL top when the depth of the CBL (zi) is changing during the analysis period. This is because the autocovariance approach is usually applied to constant height levels and the character of the eddies is changing on either side of the changing CBL top. Here, a new approach is presented wherein the autocovariance analysis is performed on a normalized height grid, with a temporally smoothed zi. Output from a large eddy simulation model demonstrates that deriving higher-order moments from time series on a normalized height grid has better agreement with the slab-averaged quantities than the moments derived from the original height grid.

Rosenberger, Tessa E. (ORCID:0000000333205873)↗
DOE OSTI2023

Structure of metallochaperone in complex with the cobalamin-binding domain of its target mutase provides insight into cofactor delivery

G-protein metallochaperone MeaB in bacteria [methylmalonic aciduria type A (MMAA) in humans] is responsible for facilitating the delivery of adenosylcobalamin (AdoCbl) to methylmalonyl-CoA mutase (MCM), the only AdoCbl-dependent enzyme in humans. Genetic defects in the switch III region of MMAA lead to the genetic disorder methylmalonic aciduria in which the body is unable to process certain lipids. Here, we present a crystal structure of Methylobacterium extorquens MeaB bound to a nonhydrolyzable guanosine triphosphate (GTP) analog guanosine-5'-[(β,γ)-methyleno]triphosphate (GMPPCP) with the Cbl-binding domain of its target mutase enzyme (MeMCM cbl ). This structure provides an explanation for the stimulation of the GTP hydrolyase activity of MeaB afforded by target protein binding. We find that upon MCM cbl association, one protomer of the MeaB dimer rotates ~180°, such that the inactive state of MeaB is converted to an active state in which the nucleotide substrate is now surrounded by catalytic residues. Importantly, it is the switch III region that undergoes the largest change, rearranging to make direct contacts with the terminal phosphate of GMPPCP. These structural data additionally provide insights into the molecular basis by which this metallochaperone contributes to AdoCbl delivery without directly binding the cofactor. Our data suggest a model in which GTP-bound MeaB stabilizes a conformation of MCM that is open for AdoCbl insertion, and GTP hydrolysis, as signaled by switch III residues, allows MCM to close and trap its cofactor. Substitutions of switch III residues destabilize the active state of MeaB through loss of protein:nucleotide and protein:protein interactions at the dimer interface, thus uncoupling GTP hydrolysis from AdoCbl delivery.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

A Methodology for Estimating the Energy and Moisture Budget of the Convective Boundary Layer Using Continuous Ground-Based Infrared Spectrometer Observations

Abstract Land–atmosphere interactions play a critical role in both the atmospheric water and energy cycles. Changes in soil moisture and vegetation alter the partitioning of surface water and energy fluxes, influencing diurnal evolution of the planetary boundary layer (PBL). The mixing-diagram framework has proven useful in understanding the evolution of the heat and moisture budget within the convective boundary layer (CBL). We demonstrate that observations from the Department of Energy Atmospheric Radiation Measurement (ARM) Southern Great Plains site provide all of the needed inputs needed for the mixing-diagram framework, allowing us to quantify the impact from the surface fluxes, advection, radiative heating, encroachment, and entrainment on the evolution of the CBL. Profiles of temperature and humidity retrieved from the ground-based infrared spectrometer [Atmospheric Emitted Radiance Interferometer (AERI)] are a critical component in this analysis. Large-eddy simulation results demonstrate that mean mixed-layer values derived are shown to be critical to close the energy and moisture budgets. A novel approach demonstrated here is the use of network of AERIs and Doppler lidars to quantify the advective fluxes of heat and moisture. The framework enables the estimation of the entrainment fluxes as a residual, providing a way to observe the entrainment fluxes without using multiple lidar systems. The high temporal resolution of the AERI observations enables the morning, midday, and afternoon evolution of the CBL to be quantified. This work provides a new way to use observations in this framework to evaluate weather and climate models. Significance Statement The energy and moisture budget of the planetary boundary layer (PBL) is influenced by multiple sources, and accurately representing this evolution in numerical models is critical for weather forecasts and climate predictions. The mixing-diagram approach, driven by profiling observations as illustrated here, provides a powerful way to quantify the contributions from each of these sources. In particular, the energy and moisture mixed into the PBL from above the PBL can be determined accurately from ground-based remote sensors using this approach.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Characterizing the Turbulent Structure of the Convective Boundary Layer Using ARM/ASR Observations and LES Model Output

This project will ultimately combine observations from Raman lidar, Doppler lidar, AERI, eddy correlation measurements, and airborne and ground-based high spectral resolution lidar systems with many large eddy simulations (LES) of realistic boundary layer cases to study: The diurnal evolution of the boundary layer thermodynamic structure; The turbulent structure of the CBL and the entrainment zone; The ability of LES models to simulate the thermodynamic and turbulent structure of the CBL; How perturbations in the surface properties and CBL properties influence boundary layer clouds; The similarities and differences in the boundary layer and cloud interaction in the marine vs. continental boundary layer.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

On the Departure from Monin–Obukhov Surface Similarity and Transition to the Convective Mixed Layer

Large-eddy simulations are used to evaluate mean profile similarity in the convective boundary layer (CBL). Particular care is taken regarding the grid sensitivity of the profiles and the mitigation of inertial oscillations in the simulation spin-up. The nondimensional gradients Φ for wind speed and air temperature generally align with Monin–Obukhov similarity across cases but have a steeper slope than predicted within each profile. The same trend has been noted in several other recent studies. The Businger-Dyer relations are modified here with an exponential cutoff term to account for the decay in Φ to first-order approximation, yielding improved similarity from approximately 0.05z i to above 0.3z i , where z i is the CBL depth. The necessity for the exponential correction is attributed to an extended transition from surface scaling to zero gradient in the mixed layer, where the departure from Monin–Obukhov similarity may be negligible at the surface but becomes substantial well below the conventional surface layer height of 0.1 z i .

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Scalar Flux Profiles in the Unstable Atmospheric Surface Layer Under the Influence of Large Eddies: Implications for Eddy Covariance Flux Measurements and the Non‐Closure Problem

How convective boundary-layer (CBL) processes modify fluxes of sensible (SH) and latent (LH) heat and CO 2 (F c ) in the atmospheric surface layer (ASL) remains a recalcitrant problem. Here, large eddy simulations for the CBL show that while SH in the ASL decreases linearly with height regardless of soil moisture conditions, LH and F c decrease linearly with height over wet soils but increase with height over dry soils. This varying flux divergence/convergence is regulated by changes in asymmetric flux transport between top-down and bottom-up processes. Such flux divergence and convergence indicate that turbulent fluxes measured in the ASL underestimate and overestimate the “true” surface interfacial fluxes, respectively. While the non-closure of the surface energy balance persists across all soil moisture states, it improves over drier soils due to overestimated LH. The non-closure does not imply that F c is always underestimated; F c can be overestimated over dry soils despite the non-closure issue.

Geology↗
DOE OSTI2025

How Representative Are Uncrewed Aircraft System Measurements of the Convective Boundary Layer?

Abstract Uncrewed aircraft systems (UAS) demonstrate significant potential for filling data gaps in the atmospheric boundary layer. However, the extent to which UAS observations—typically vertical profiles taken over 15 min—are representative of the boundary layer as a whole remains poorly characterized. Using large eddy simulations (LES) of the daytime convective boundary layer (CBL), we quantify random errors in UAS measurements that occur due to insufficient statistical convergence of the time average to the true ensemble mean. Random errors in first‐order moments increase as the CBL becomes increasingly unstable, and are largest near the surface for most quantities. Errors are on the order of 2–6 m for wind speed, 15–60 for wind direction, 0.2–3 K for potential temperature, and 0.1–1 g for specific humidity, with errors in turbulent fluxes on the order of 50%–100%. Sampling strategies that mitigate random errors are discussed in light of our results.

Greene, Brian R. [Now at Verisk Extreme Event Solu↗
DOE OSTI2020

Subcloud and Cloud-Base Latent Heat Fluxes during Shallow Cumulus Convection

Doppler and Raman lidar observations of vertical velocity and water vapor mixing ratio are used to probe the physics and statistics of subcloud and cloud-base latent heat fluxes during cumulus convection at the ARM Southern Great Plains (SGP) site in Oklahoma, United States. The statistical results show that latent heat fluxes increase with height from the surface up to ~0.8 Z i (where Z i is the convective boundary layer depth) and then decrease to ~0 at Z i . Peak fluxes aloft exceeding 500 W m −2 are associated with periods of increased cumulus cloud cover and stronger jumps in the mean humidity profile. These entrainment fluxes are much larger than the surface fluxes, indicating substantial drying over the 0–0.8 Z i layer accompanied by moistening aloft as the CBL deepens over the diurnal cycle. We also show that the boundary layer humidity budget is approximately closed by computing the flux divergence across the 0–0.8 Z i layer. Composite subcloud velocity and water vapor anomalies show that clouds are linked to coherent updraft and moisture plumes. The moisture anomaly is Gaussian, most pronounced above 0.8 Z i and systematically wider than the velocity anomaly, which has a narrow central updraft flanked by downdrafts. This size and shape disparity results in downdrafts characterized by a high water vapor mixing ratio and thus a broad joint probability density function (JPDF) of velocity and mixing ratio in the upper CBL. We also show that cloud-base latent heat fluxes can be both positive and negative and that the instantaneous positive fluxes can be very large (~10 000 W m −2 ). However, since cloud fraction tends to be small, the net impact of these fluxes remains modest.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Convective Boundary-Layer Spatial Heterogeneity Experiment Field Campaign Report

Earth system models (ESMs) require accurate heat, mass, and momentum exchanges between components, which requires accurate observations and modeling of the atmospheric boundary layer. Over the land, the daytime convective atmospheric boundary layer (CBL, also called the convective mixing layer) develops and evolves daily, driven by solar surface heating. Doppler lidar (DL) measurements of vertical velocities provide an effective way to document the diurnal cycle of CBL (Chu et al. 2023). With the support of the U.S. Department of Energy (DOE) Atmospheric Research (ASR) program, we studied convective mixing-layer heights (MLH) across multiple DOE Atmospheric Radiation Measurement (ARM) Southern Great Plains (SGP) observatory sites based on DL measurements.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Risk matrix for legacy wells within the Area of Review (AoR) of Carbon Capture & Storage (CCS) projects

The success of CCS depends on the capacity, injectivity, and confinement by the storage medium. Thousands of wells drilled over the past century with the intention to find the trapped oil and gas may penetrate the containment seals. These wells may provide leakage pathways for the CO 2 to escape and contaminate the underground sources of drinking water (USDW) or reach the surface in the worst-case scenario. Identifying the risky wells penetrating the containment seals and predicting their current as well as future well integrity is the most challenging task when limited data is available. Here, this paper proposes a unique methodology for risk assessment of the wells penetrating the containment seals based on the proximity of these wells from the proposed injection location, mechanical integrity, and accessibility of these wells over the lifecycle of the CCS project. This helps in identifying the wells which need immediate attention from the wells that need little to no attention. It also highlights the corrective actions necessary for the success of the CCS project as well as help estimate the approximate cost required to perform the corrective actions. This methodology focuses on all wells (producers, injectors, orphan, abandoned, water, stratigraphic, etc) while the majority of the studies found in literature focused on wells with sustained casing pressure (SCP) reports and cement bond logs (CBL). The proposed risk matrix, if applied to future CCS projects across the globe, will uniformly categorize the wells within the Area of Review (AoR).

58 GEOSCIENCES↗