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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Ab initio free energies of liquid metal alloys: Application to the phase diagrams of Li-Na and K-Na

Comparison of free energies between different phases and different compositions underlies the prediction of alloy phase diagrams. To allow direct comparison, consistent reference points for the energies or enthalpies are required, and the entropy must be placed on an absolute scale, yielding absolute free energies. Here we derive absolute free energies of liquids from ab-initio molecular dynamics (AIMD) by combining the directly simulated enthalpies with an entropy derived from simulated densities and pair correlation functions. Additionally, as an example of the power of this method we calculate the phase diagrams of two binary alkali metal alloys, Li-Na and K-Na, revealing a critical point and liquid-liquid phase separation in the former case, and a deep eutectic in the latter. Good agreement with experimental data demonstrates the power of this simple method.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Tuning spin–orbit coupling in (6,5) single-walled carbon nanotube doped with sp 3 defects

Single-walled carbon nanotubes (SWCNTs) containing sp 3 defects are a promising class of optoelectronic materials with bright photoluminescence and demonstrated single-photon emission. Using density functional theory simulations, complemented by measurements, we investigate the electronic structure of a series of quantum defects attached to (6,5) SWCNT with the goal of tuning the spin–orbit coupling by introduction of a heavy atom in the defect structure. We characterize the ground state electronic and spin properties of four synthesized and three potential defects on the tube and find that all of the synthesized defects considered introduce a localized midgap defect-centered state containing a single electron, ≈0.2–0.3 eV above the valence band. The spin density is located at the sp 3 defect site with negligible spin–orbit coupling even with the presence of a Pd atom. Three additional functional groups were tested via computation to increase spin localization near the metal, thereby increasing spin–orbit coupling. We predict that only the chlorodiphosphanepalladium(II)– [Cl(PH 3 ) 2 Pd(II)–] defect results in increased spin–orbit splitting of the defect state and the conduction band associated with the pristine-like SWCNT, a measure of the spin–orbit coupling of excited state transitions. This study suggests that for unpassivated sp 3 defects in (6,5) SWCNT, forming a direct bond between a heavy atom and the sp 3 carbon allows for tuning of spin–orbit coupling.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2026

Stakeholder-guided holistic, Adaptive Framework for enhancing community Energy Resilience (SAFER) (Final Technical Report)

The Stakeholder-guided holistic, Adaptive Framework for enhancing community Energy Resilience (SAFER) project advances resilience science and engineering by addressing challenges in rural Kansas communities where aging infrastructure, extreme weather, and socioeconomic disparities heighten vulnerability to energy disruptions. Traditional approaches often focus on technical performance while overlooking community concerns and priorities. SAFER responds by integrating community perspectives with advanced analytical frameworks to create a holistic model for measuring and improving resilience. Project objectives included developing novel resilience metrics, advancing modeling frameworks that capture interdependencies across infrastructures, and embedding community-centric indicators directly into planning processes for distributed energy resources. The key technical innovations included the creation of self-organizing map (SOM)-based indices for objective resilience quantification, hetero-functional graph theory (HFGT) models linking power, water, transportation, and community assets, and graph neural network (GNN) tools for identifying critical nodes in complex systems. Community-centric energy planning was demonstrated through optimal siting and sizing of (photovoltaic) PV and battery storage, ensuring resilience enhancements also addressed energy burden and energy insecurity. SAFER engaged community partners in Dodge City and Ford County through surveys, focus groups, and workshops, generating more than 600 responses that established baseline measures of energy burden, financial insecurity, and willingness-to-pay to avoid outages. This data, organized in terms of a community capitals framework, informed the development of weighted reliability indices that better reflect community costs than traditional utility metrics. SAFER’s GNN-based critical node identification framework identified expert-labelled critical nodes with over 99% accuracy, while also uncovering additional functionalities essential for proactive resilience planning. The project’s models demonstrated that optimal PV and storage deployment could improve resilience indices by over 11 percent, with dispatch strategies further enhancing outcomes, confirming both the technical effectiveness and economic feasibility of these approaches. Through its combined emphasis on rigorous modeling, community-focused planning, and community engagement, SAFER advances the state of resilience research while delivering direct benefits to rural communities. The project provides tools, guidelines, and resilience heatmaps that help utilities, local governments, and residents better anticipate disruptions, prioritize investments, and strengthen the capacity to withstand and recover from energy-related hazards. Furthermore, the developed HFG and GNN frameworks are designed for transferability, allowing them to be adapted for resilience planning in other communities with minimal retraining. This inductive learning capability provides a scalable pathway to extend the SAFER project’s impact. Thus, creating a foundation for a nationally applicable model of infrastructure resilience. Additionally, the HFG can also be extended to include other FEMA community lifelines.

14 SOLAR ENERGY↗
DOE OSTI2021

Understanding the Adsorption of Rare-Earth Elements in Oligo-Grafted Mesoporous Carbon

Rare-earth elements (REEs) are 17 elements of the periodic table primarily consisting of lanthanides. In modern society, the usage of REEs is ubiquitous in almost all modern gadgets and therefore efficient recovery and separation of REEs are of high importance. Selective adsorption and chelation of REEs in solid sorbents is a unique and sustainable process for their recovery. In this work, single-stranded oligos with 100 units of thymine were grafted onto carboxylated mesoporous carbon to synthesize a sorbent with phosphorus and oxygen functionalities. Additionally, the sorbent was characterized by X-ray photoelectron spectroscopy, Fourier-transform infrared spectroscopy, and scanning electron microscopy-energy-dispersive X-ray spectroscopy. Three different REEs with varying atomic radii and densities, Lu, Dy, and La, were adsorbed onto the carbon from aqueous solutions. It was observed that the adsorbed amounts increased with the increase in the atomic radius or decrease in the atomic density. Calculation of the distribution coefficients for all the equilibrium adsorption amounts suggested that adsorption is more effective in the lower concentration region. The L 3 -edge X-ray absorption near-edge structure confirmed a 3+ oxidation state of REEs in the adsorbed phase. Extended X-ray absorption fine structure (EXAFS) confirmed the binding of REEs with oxygen functionalities in the adsorbed phase. The radial distribution functions calculated from the EXAFS data suggest a longer RE–O distance for La compared to those for Lu and Dy. The coordination numbers and Debye–Waller factors have typical values of about 8–9 atoms and 0.01–0.02 Å 2 , respectively.

36 MATERIALS SCIENCE↗
NASA NTRS1992

Monolithic millimeter-wave diode array beam controllers: Theory and experiment

In the current work, multi-function beam control arrays have been fabricated and have successfully demonstrated amplitude control of transmitted beams in the W and D bands (75-170 GHz). While these arrays are designed to provide beam control under DC bias operation, new designs for high-speed electronic and optical control are under development. These arrays will fill a need for high-speed watt-level beam switches in pulsed reflectometer systems under development for magnetic fusion plasma diagnostics. A second experimental accomplishment of the current work is the demonstration in the 100-170 GHz (D band) frequency range of a new technique for the measurement of the transmission phase as well as amplitude. Transmission data can serve as a means to extract ('de-embed') the grid parameters; phase information provides more complete data to assist in this process. Additional functions of the array beam controller yet to be tested include electronically controlled steering and focusing of a reflected beam. These have application in the areas of millimeter-wave electronic scanning radar and reflectometry, respectively.

Sjogren, L. B.↗
NASA NTRSDate not supplied

MISR Level 1B1 Radiance Data (MI1B1_V1)

The results of two types of processing are included in this product. First, the Radiance Scaling operation converts the camera's digital number output to a measure of energy incident on the front optical surface. The measurement is expressed in units called radiance (energy per unit area, wavelength, and solid angle) as defined by the International Standard (SI). Second, Radiance Conditioning modifies the radiances to remove instrument-dependent effects. Specifically, image sharpening is applied, and focal-plane scattering is removed. Additionally, all radiances are adjusted to remove slight spectral sensitivity differences among the 1504 detector elements of each spectral band and each camera. The Radiometric Product contains spectral radiances for all MISR channels (four spectral bands and nine cameras). Each radiance value represents the incident radiance averaged over the sensor's total band response. Processing includes both radiance scaling and conditioning steps. Radiance scaling converts the Level 1A data from digital counts to radiances using coefficients derived in combination with the On-Board Calibrator (OBC) and vicarious calibrations. The OBC contains Spectralon calibration panels which are deployed monthly and reflect sunlight into the cameras. The OBC detector standards then measure this reflected light to provide the calibration. Vicarious field campaigns are conducted less frequently but provide an independent methodology useful for reducing systematic errors. Radiance conditioning removes undesirable instrument effects. Image enhancement is provided by deconvolving the scene with the sensor's point-spread-function. Additionally, in-band scaling adjusts the reported radiances to correspond to a nominal band response profile. This frees the Level 2 software from the need to correct for detector element non-uniformities. No out-of-band correction is done for this product, nor are the data geometrically corrected or resampled at this point. In summary, the Level 1B1 Product contains the Data Numbers (DNs) radiometrically-scaled to radiances with no geometric resampling. [Location=GLOBAL] [Temporal_Coverage: Start_Date=2000-02-24; Stop_Date=] [Spatial_Coverage: Southernmost_Latitude=-90; Northernmost_Latitude=90; Westernmost_Longitude=-180; Easternmost_Longitude=180] [Data_Resolution: Latitude_Resolution=275 m for red band only; Longitude_Resolution=275 m for red band only; Horizontal_Resolution_Range=250 meters - < 500 meters; Temporal_Resolution=about 15 orbits/day; Temporal_Resolution_Range=Daily - < Weekly, about 15 orbits/day, Daily - < Weekly].

EOSDIS↗
NASA NTRSDate not supplied

MISR Level 1B1 Radiance Data (MI1B1_V2)

The results of two types of processing are included in this product. First, the Radiance Scaling operation converts the camera's digital number output to a measure of energy incident on the front optical surface. The measurement is expressed in units called radiance (energy per unit area, wavelength, and solid angle) as defined by the International Standard (SI). Second, Radiance Conditioning modifies the radiances to remove instrument-dependent effects. Specifically, image sharpening is applied, and focal-plane scattering is removed. Additionally, all radiances are adjusted to remove slight spectral sensitivity differences among the 1504 detector elements of each spectral band and each camera. The Radiometric Product contains spectral radiances for all MISR channels (four spectral bands and nine cameras). Each radiance value represents the incident radiance averaged over the sensor's total band response. Processing includes both radiance scaling and conditioning steps. Radiance scaling converts the Level 1A data from digital counts to radiances using coefficients derived in combination with the On-Board Calibrator (OBC) and vicarious calibrations. The OBC contains Spectralon calibration panels which are deployed monthly and reflect sunlight into the cameras. The OBC detector standards then measure this reflected light to provide the calibration. Vicarious field campaigns are conducted less frequently but provide an independent methodology useful for reducing systematic errors. Radiance conditioning removes undesirable instrument effects. Image enhancement is provided by deconvolving the scene with the sensor's point-spread-function. Additionally, in-band scaling adjusts the reported radiances to correspond to a nominal band response profile. This frees the Level 2 software from the need to correct for detector element non-uniformities. No out-of-band correction is done for this product, nor are the data geometrically corrected or resampled at this point. In summary, the Level 1B1 Product contains the Data Numbers (DNs) radiometrically-scaled to radiances with no geometric resampling. [Temporal_Coverage: Start_Date=2000-02-24; Stop_Date=] [Spatial_Coverage: Southernmost_Latitude=-90; Northernmost_Latitude=90; Westernmost_Longitude=-180; Easternmost_Longitude=180] [Data_Resolution: Latitude_Resolution=1.1 km; Longitude_Resolution=1.1 km; Temporal_Resolution=about 15 orbits/day; Temporal_Resolution_Range=about 15 orbits/day].

AM-1↗
NASA NTRSDate not supplied

MISR Level 1B1 Local Mode Radiance Data (MIB1LM_V1)

The results of two types of processing are included in this product. First, the Radiance Scaling operation converts the camera's digital number output to a measure of energy incident on the front optical surface. The measurement is expressed in units called radiance (energy per unit area, wavelength, and solid angle) as defined by the International Standard (SI). Second, Radiance Conditioning modifies the radiances to remove instrument-dependent effects. Specifically, image sharpening is applied, and focal-plane scattering is removed. Additionally, all radiances are adjusted to remove slight spectral sensitivity differences among the 1504 detector elements of each spectral band and each camera. In addition to the Level 1B1 radiometric product for MISR's Global Mode imagery, there is a separate Level 1B1 product for each high-resolution Local Mode scene. The Radiometric Product contains spectral radiances for all MISR channels (four spectral bands and nine cameras). Each radiance value represents the incident radiance averaged over the sensor's total band response. Processing includes both radiance scaling and conditioning steps. Radiance scaling converts the Level 1A data from digital counts to radiances using coefficients derived in combination with the On-Board Calibrator (OBC) and vicarious calibrations. The OBC contains Spectralon calibration panels which are deployed monthly and reflect sunlight into the cameras. The OBC detector standards then measure this reflected light to provide the calibration. Vicarious field campaigns are conducted less frequently but provide an independent methodology useful for reducing systematic errors. Radiance conditioning removes undesirable instrument effects. Image enhancement is provided by deconvolving the scene with the sensor's point-spread-function. Additionally, in-band scaling adjusts the reported radiances to correspond to a nominal band response profile. This frees the Level 2 software from the need to correct for detector element non-uniformities. No out-of-band correction is done for this product, nor are the data geometrically corrected or resampled at this point. In summary, the Level 1B1 Product contains the Data Numbers (DNs) radiometrically-scaled to radiances with no geometric resampling. [Location=GLOBAL] [Temporal_Coverage: Start_Date=2000-02-24; Stop_Date=] [Spatial_Coverage: Southernmost_Latitude=-90; Northernmost_Latitude=90; Westernmost_Longitude=-180; Easternmost_Longitude=180] [Data_Resolution: Latitude_Resolution=275 m for red band only; Longitude_Resolution=275 m for red band only; Horizontal_Resolution_Range=250 km - < 500 km or approximately 2.5 degrees - < 5.0 degrees; Temporal_Resolution=about 15 orbits/day].

NEAR IR IMAGERY↗
NASA NTRSDate not supplied

MISR Level 1B1 Local Mode Radiance Data (MIB1LM_V2)

The results of two types of processing are included in this product. First, the Radiance Scaling operation converts the camera's digital number output to a measure of energy incident on the front optical surface. The measurement is expressed in units called radiance (energy per unit area, wavelength, and solid angle) as defined by the International Standard (SI). Second, Radiance Conditioning modifies the radiances to remove instrument-dependent effects. Specifically, image sharpening is applied, and focal-plane scattering is removed. Additionally, all radiances are adjusted to remove slight spectral sensitivity differences among the 1504 detector elements of each spectral band and each camera. In addition to the Level 1B1 radiometric product for MISR's Global Mode imagery, there is a separate Level 1B1 product for each high-resolution Local Mode scene. The Radiometric Product contains spectral radiances for all MISR channels (four spectral bands and nine cameras). Each radiance value represents the incident radiance averaged over the sensor's total band response. Processing includes both radiance scaling and conditioning steps. Radiance scaling converts the Level 1A data from digital counts to radiances using coefficients derived in combination with the On-Board Calibrator (OBC) and vicarious calibrations. The OBC contains Spectralon calibration panels which are deployed monthly and reflect sunlight into the cameras. The OBC detector standards then measure this reflected light to provide the calibration. Vicarious field campaigns are conducted less frequently but provide an independent methodology useful for reducing systematic errors. Radiance conditioning removes undesirable instrument effects. Image enhancement is provided by deconvolving the scene with the sensor's point-spread-function. Additionally, in-band scaling adjusts the reported radiances to correspond to a nominal band response profile. This frees the Level 2 software from the need to correct for detector element non-uniformities. No out-of-band correction is done for this product, nor are the data geometrically corrected or resampled at this point. In summary, the Level 1B1 Product contains the Data Numbers (DNs) radiometrically-scaled to radiances with no geometric resampling. [Temporal_Coverage: Start_Date=2000-02-24; Stop_Date=] [Spatial_Coverage: Southernmost_Latitude=-90; Northernmost_Latitude=90; Westernmost_Longitude=-180; Easternmost_Longitude=180] [Data_Resolution: Latitude_Resolution=275 m for red band only; Longitude_Resolution=275 m for red band only; Temporal_Resolution=about 15 orbits/day].

AM-1↗
NASA NTRS2000

FACET: Future ATM Concepts Evaluation Tool

FACET (Future ATM Concepts Evaluation Tool) is an Air Traffic Management research tool being developed at the NASA Ames Research Center. This paper describes the design, architecture and functionalities of FACET. The purpose of FACET is to provide E simulation environment for exploration, development and evaluation of advanced ATM concepts. Examples of these concepts include new ATM paradigms such as Distributed Air-Ground Traffic Management, airspace redesign and new Decision Support Tools (DSTs) for controllers working within the operational procedures of the existing air traffic control system. FACET is currently capable of modeling system-wide en route airspace operations over the contiguous United States. Airspace models (e.g., Center/sector boundaries, airways, locations of navigation aids and airports) are available from databases. A core capability of FACET is the modeling of aircraft trajectories. Using round-earth kinematic equations, aircraft can be flown along flight plan routes or great circle routes as they climb, cruise and descend according to their individual aircraft-type performance models. Performance parameters (e.g., climb/descent rates and speeds, cruise speeds) are obtained from data table lookups. Heading, airspeed and altitude-rate dynamics are also modeled. Additional functionalities will be added as necessary for specific applications. FACET software is written in Java and C programming languages. It is platform-independent, and can be run on a variety of computers. FACET has been designed with a modular software architecture to enable rapid integration of research prototype implementations of new ATM concepts. There are several advanced ATM concepts that are currently being implemented in FACET airborne separation assurance, dynamic density predictions, airspace redesign (re-sectorization), benefits of a controller DST for direct-routing, and the integration of commercial space transportation system operations into the U.S. National Airspace System (NAS).

Bilmoria, Karl D.↗
NASA NTRS1995

A General Method for Solving Systems of Non-Linear Equations

The method of steepest descent is modified so that accelerated convergence is achieved near a root. It is assumed that the function of interest can be approximated near a root by a quadratic form. An eigenvector of the quadratic form is found by evaluating the function and its gradient at an arbitrary point and another suitably selected point. The terminal point of the eigenvector is chosen to lie on the line segment joining the two points. The terminal point found lies on an axis of the quadratic form. The selection of a suitable step size at this point leads directly to the root in the direction of steepest descent in a single step. Newton's root finding method not infrequently diverges if the starting point is far from the root. However, the current method in these regions merely reverts to the method of steepest descent with an adaptive step size. The current method's performance should match that of the Levenberg-Marquardt root finding method since they both share the ability to converge from a starting point far from the root and both exhibit quadratic convergence near a root. The Levenberg-Marquardt method requires storage for coefficients of linear equations. The current method which does not require the solution of linear equations requires more time for additional function and gradient evaluations. The classic trade off of time for space separates the two methods.

Nachtsheim, Philip R.↗
DOE OSTI2023

Lithium superoxide-based high rate Li-Air batteries enabled by Di-iridium sulfur bridge active sites

Li-oxygen (Li-O 2 ) batteries can potentially provide much higher energy density than Li-ion batteries; however, the practical application of these batteries is hindered due to several drawbacks such as low current rates and high overpotential for the charging process. Here, in this paper, we report a novel Li-Air battery system that operates under high current rates (up to 1mAcm -2 ) with LiO 2 as the primary discharge product instead of the commonly reported Li 2 O 2 . This LiO 2 based battery at high rates is through a combination of an as-synthesized new one-dimensional (1D) transition metal trichalcogenide mid-entropy alloy of SnIrS 3.6 as a cathode catalyst and an electrolyte blend with a SnI 2 bi-functional additive. It is revealed that SnIrS 3.6 has a microporous structure composed of six- and five-coordinated metal atoms, forming octahedral and triangular bipyramids which has not been observed in other layered chalcogeide materials. DFT calculations reveal that the SnIrS 3.6 structure can result in LiO 2 formation through di-iridium sulfur bridge active sites that results in strong binding of O 2 and LiO 2 preventing disproportionation to Li 2 O 2 and enabling high rates. This finding will open a new perspective in designing advanced LiO 2 -based Li-O 2 batteries for real practices.

25 ENERGY STORAGE↗
DOE OSTI2020

Autonomous Self-Healing Elastomers with Unprecedented Adhesion Force

Self-healable elastomers are extremely attractive due to their ability to prolong product lifetime. An additional function that could further expand their applications is strong adhesion force to clean and dusty surfaces. This study reports a series of autonomous self-healable and highly adhesive elastomers (ASHA-Elastomer) that are fabricated via a simple, efficient, and scalable process. The obtained elastomers exhibit outstanding mechanical properties with elongation at break up to 2102% and toughness (modulus of toughness) of 1.73 MJ m -3 . The damaged ASHA-Elastomer can autonomously self-heal with full recovery of functionalities, and the healing process is not affected by the presence of water. The elastomers are found to possess an ultrahigh adhesion force up to 3488 N m -1 , greatly outperforming previously reported self-healing adhesive elastomers. Furthermore, the adhesion force of the ASHA-Elastomer is negligibly affected by dust on the surface, in stark contrast with regular adhesive polymers that have adhesion strengths extremely sensitive to dust. The successful development of high-toughness, autonomous self-healable, and ultra-adhesive elastomers will enable a wide range of applications with enhanced longevity and versatility, including their use in sealants, adhesives, and stretchable devices.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Electrolyte Design for Fast‐Charging Lithium‐Based Batteries

Fast charging is essential for the widespread adoption of lithium (Li)-ion batteries, but it is fundamentally limited by sluggish interfacial kinetics, Li plating, and electrolyte instability at high current densities. Over the past decade, electrolyte engineering has emerged as a key strategy to address these challenges. This review summarizes the development of fast-charging electrolytes over the past ten years and outlines a design framework. Electrolyte formulations are first deconstructed into their main components—solvents, salts, and functional additives—and representative strategies for tuning solvation structure and interphase chemistry are discussed to suppress Li plating and improve interfacial kinetics. The discussion then extends to advanced electrolyte systems, particularly localized high-concentration electrolytes (LHCEs), and their compatibility with different anode chemistries. Advanced characterization techniques are also summarized and categorized based on destructiveness, spatial and temporal resolution, quantitative analysis, and the chemical species or processes probed across multiple length scales. Recent progress in AI-enabled electrolyte discovery and battery management system (BMS) strategies for optimized fast-charging protocols is further highlighted. Finally, perspectives are presented on translating electrolyte innovations from academic research to practical applications, with emphasis on cell format, realistic operating conditions, and manufacturability.

25 ENERGY STORAGE↗
DOE OSTI2020

Autonomous Strategies for Improved Performance and Reliability of Li‐Ion Batteries

Abstract The battery community has devoted significant effort to improve the performance and reliability of Li‐ion batteries through the development of new materials. The integration of autonomous function provides an alternative strategy to further extend performance. Autonomous material systems mimic the ability of biological systems to self‐protect, sense, regulate, and heal in response to damage and other environmental changes. When incorporated in batteries, these materials enable autonomic restoration of battery performance upon degradation, as well as autonomic shutdown or extinguishment in response to thermal runaway. Successful strategies for improving Li‐ion battery performance include controlled release of microencapsulated functional additives and the integration of self‐healing or adaptive interlayers and binders. These methods have been effective for stabilizing the solid electrolyte interface, preventing battery fires, restoring electrode conductivity, and suppressing Li dendrite growth. Challenges and opportunities exist in the further application of autonomous strategies in the battery environment. A greater variety of encapsulated additives with precise triggered‐release are needed to address specific battery degradation mechanisms. Incorporation of self‐healing polymers in solid‐state batteries facilitates improvement in interfacial and mechanical stability. The integration of autonomous strategies with battery management systems potentially enables enhanced control over multiple battery cycling parameters.

Zhao, Lihong↗
DOE OSTI2024

Green buffers near industrial plants, examples in Jefferson County TX

Green buffers between industrial plants and residential areas have multiple purposes in mitigating air pollution and protecting the environment. This study focuses on providing information on examples of green space development by industries near residential areas in Jefferson County, Texas. One represents a full buffer where residences were totally removed, another is a partial buffer where some residences were removed in a neighborhood and the third represents vegetation of a formerly industrial facility. Additional estimates on benefits of buffer spaces with respect to a pollutant plume are also considered. The study used geospatial and property data from 1966 to 2020. The transition from a residential area to a full or partial buffers highlights possible mitigation of air pollution impacts while serving additional functions, such as boosting stormwater infiltration and improving the aesthetic attractiveness of the area. The transformation from oil tanks to forested space may display the potential for environmental remediation, but not all spaces are suitable for fully forested buffers, as safety and other limitations should be considered. With the analysis of the classic Plume Equation insights can be provided regarding the possible impact of green buffers on ground-level pollutant concentrations. The calculations for atmospheric stability classes A-F and for various stack heights provide an understanding of how different conditions may affect the pollutant concentrations. The presence of a green buffer can play a crucial role in controlling ground-level pollution concentrations and reduce a community’s perception of risk.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Ligand design in lanthanide complexes for luminescence, therapy, and sensing

In this chapter, we explore the research done by the de Bettencourt-Dias group in luminescent lanthanide complexes. The group has isolated ligands that sensitize the luminescence of lanthanide ions, and that bear additional functional groups that impart unique properties to the resulting complexes, such as the ability to generate cytotoxic singlet oxygen, or report on, through changes in emission intensity, viscosity or temperature at the nanoscale. The energy transfer processes are accessed through one-photon excitation or two-photon excitation through the ligand, as well as upconversion. Moreover, the group explored unique coordination chemistry of lanthanides, taking advantage of secondary interactions to isolate outer-sphere complexes of these ions.

Barber, Patrick S.↗
DOE OSTI2020

Comprehensive In Vivo Interrogation Reveals Phenotypic Impact of Human Enhancer Variants

Establishing causal links between non-coding variants and human phenotypes is an increasing challenge. In this paper, we introduce a high-throughput mouse reporter assay for assessing the pathogenic potential of human enhancer variants in vivo and examine nearly a thousand variants in an enhancer repeatedly linked to polydactyly. We show that 71% of all rare non-coding variants previously proposed as causal lead to reporter gene expression in a pattern consistent with their pathogenic role. Variants observed to alter enhancer activity were further confirmed to cause polydactyly in knockin mice. We also used combinatorial and single-nucleotide mutagenesis to evaluate the in vivo impact of mutations affecting all positions of the enhancer and identified additional functional substitutions, including potentially pathogenic variants hitherto not observed in humans. Our results uncover the functional consequences of hundreds of mutations in a phenotype-associated enhancer and establish a widely applicable strategy for systematic in vivo evaluation of human enhancer variants.

59 BASIC BIOLOGICAL SCIENCES↗