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At least 469 records · Page 26

Final Report: Multi-State Sharing Initiative

In 2003 a joint effort between the U.S. Department of Homeland Security (DHS) and the U.S. Department of Justice created state and metropolitan intelligence fusion centers. These fusion centers were an effort to share law enforcement, disaster, and terrorism related information and intelligence between state and local jurisdictions and to share terrorism related intelligence between state and local law enforcement agencies and various federal entities. In 2006, DHS commissioned the Oak Ridge National Laboratory to establish and manage a groundbreaking program to assist local, state, and tribal leaders in developing the tools and methods required to anticipate and forestall terrorist events and to enhance disaster response. This program, called the Southeast Region Research Initiative (SERRI), combines science and technology with validated operational approaches to address regionally unique requirements and suggest regional solutions with the potential for national application. In 2009, SERRI sponsored the Multistate Sharing Initiative (MSSI) to assist state and metropolitan intelligence fusion centers with sharing information related to a wider variety of state interests than just terrorism. While these fusion centers have been effective at sharing data across organizations within their respective jurisdictions, their organizational structure makes bilateral communication with federal entities convenient and also allows information to be further disbursed to other local entities when appropriate. The MSSI-developed Suspicious Activity Report (SAR) sharing system allows state-to-state sharing of non-terrorism-related law enforcement and disaster information. Currently, the MSSI SAR system is deployed in Alabama, Kentucky, Tennessee, and South Carolina. About 1 year after implementation, cognizant fusion center personnel from each state were contacted to ascertain the status of their MSSI SAR systems. The overwhelming response from these individuals was that the MSSI SAR system was an outstanding success and contributed greatly to the security and resiliency of their states. At least one state commented that SERRI's implementation of the MSSI SAR actually 'jump started' and accelerated deployment and acceptance of the Nationwide Suspicious Activity Reporting Initiative (NSI). While all states were enthusiastic about their systems, South Carolina and Tennessee appeared to be the heaviest users of their respective systems. With NSI taking the load of sharing SARs with other states, Tennessee has redeployed the MSSI SAR system within Tennessee to allow SAR sharing between state and local organizations including Tennessee's three Homeland Security Regions, eleven Homeland Security Districts, and more than 500 police and sheriff offices, as well as with other states. In one success story from South Carolina, the Economy SAR System was used to compile similar SARs from throughout the state which were then forwarded to field liaison officers, emergency management personnel, and law enforcement officers for action.

99 GENERAL AND MISCELLANEOUS↗

Role of the highly conserved G68 residue in the yeast phosphorelay protein Ypd1: implications for interactions between histidine phosphotransfer (HPt) and response regulator proteins

Many bacteria and certain eukaryotes utilize multi-step His-to-Asp phosphorelays for adaptive responses to their extracellular environments. Histidine phosphotransfer (HPt) proteins function as key components of these pathways. HPt proteins are genetically diverse, but share a common tertiary fold with conserved residues near the active site. A surface-exposed glycine at the H + 4 position relative to the phosphorylatable histidine is found in a significant number of annotated HPt protein sequences. Furthermore previous reports demonstrated that substitutions at this position result in diminished phosphotransfer activity between HPt proteins and their cognate signaling partners.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

REC protein family expansion by the emergence of a new signaling pathway

This report presents multi-genome evidence that REC protein family expansion occurs when the emergence of new pathways gives rise to functional discordance. Specificity between residues in REC domain containing response regulators with paired histidine kinases is under negative purifying selection, constrained by the presence of other bacterial two-component systems signaling cascades that share sequence and structural identity. Presuming that the two-component systems can evolve by neutral amino acid changes (neutral drift) when purifying evolutionary constraints are relaxed, how might the REC protein family expand by amino acid changes when these constraints remain intact? Using an unsupervised machine learning approach to observe the sequence landscape of REC domains across long phylogenetic distances, we find that within-gene recombination, a subcategory of gene conversion, switched the effector domain and, consequently, the regulatory context of a duplicated response regulator from transcriptional regulation by σ54 to that by σ70. We determined that the recombined response regulator diverged from its parent by episodic diversifying selection and neutral drift. Functional experiments of the parent of recombined response regulators in a model Pseudomonas putida KT2440 model system revealed that the parent and recombined response regulators sense and respond to different carboxylic acids. Finally, a residue-switching experiment using structural predictions and functional characterization suggests that the new residues in the recombined regulator could form a new interaction interface and mediate condition-specific phosphotransfer. Overall, our study finds that genetic perturbations can create conditions of functional discordance, whereby the REC protein family can evolve by episodic diversifying selection.

59 BASIC BIOLOGICAL SCIENCES↗

Role of morphology in defect formation and photo-induced carrier instabilities in amorphous indium oxide

Ab initio molecular dynamics liquid-quench simulations and hybrid density functional calculations are performed to model the effects of room-temperature atomic fluctuations and photo-illumination on the structural and electronic properties of amorphous sub-stoichiometric In 2 O 2.96 . A large configurational ensemble is employed to reliably predict the distribution of localized defects as well as their response to the thermal and light activation. The results reveal that the illumination effects on the carrier concentration are greater in amorphous configurations with shorter In–O bond length and reduced polyhedral sharing as compared to the structures with a more uniform morphology. Further, the obtained correlation between the photo-induced carrier density and the reduction in the number of fully coordinated In-atoms implies that metal oxides with a significant fraction of crystalline/amorphous interfaces would show a more pronounced response to illumination. Photo-excitation also produces In–O 2 –In defects that have not been previously found in sub-stoichiometric amorphous oxides; these defects are responsible for carrier instabilities due to overdoping.

74 ATOMIC AND MOLECULAR PHYSICS↗

Uncertainty propagation through an aeroelastic wind turbine model using polynomial surrogates

Polynomial surrogates are used to characterize the energy production and lifetime equivalent fatigue loads for different components of the DTU 10 MW reference wind turbine under realistic atmospheric conditions. The variability caused by different turbulent inflow fields are captured by creating independent surrogates for the mean and standard deviation of each output with respect to the inflow realizations. A global sensitivity analysis shows that the turbulent inflow realization has a bigger impact on the total distribution of equivalent fatigue loads than the shear coefficient or yaw miss-alignment. The methodology presented extends the deterministic power and thrust coefficient curves to uncertainty models and adds new variables like damage equivalent fatigue loads in different components of the turbine. These surrogate models can then be implemented inside other work-flows such as: estimation of the uncertainty in annual energy production due to wind resource variability and/or robust wind power plant layout optimization. It can be concluded that it is possible to capture the global behavior of a modern wind turbine and its uncertainty under realistic inflow conditions using polynomial response surfaces. In conclusion, the surrogates are a way to obtain power and load estimation under site specific characteristics without sharing the proprietary aeroelastic design.

17 WIND ENERGY↗

Structure and dynamics of the M3 muscarinic acetylcholine receptor

Acetylcholine, the first neurotransmitter to be identified, exerts many of its physiological actions via activation of a family of G-protein-coupled receptors (GPCRs) known as muscarinic acetylcholine receptors (mAChRs). Although the five mAChR subtypes (M1-M5) share a high degree of sequence homology, they show pronounced differences in G-protein coupling preference and the physiological responses they mediate. Unfortunately, despite decades of effort, no therapeutic agents endowed with clear mAChR subtype selectivity have been developed to exploit these differences. We describe here the structure of the G{sub q/11}-coupled M3 mAChR ('M3 receptor', from rat) bound to the bronchodilator drug tiotropium and identify the binding mode for this clinically important drug. This structure, together with that of the G{sub i/o}-coupled M2 receptor, offers possibilities for the design of mAChR subtype-selective ligands. Importantly, the M3 receptor structure allows a structural comparison between two members of a mammalian GPCR subfamily displaying different G-protein coupling selectivities. Furthermore, molecular dynamics simulations suggest that tiotropium binds transiently to an allosteric site en route to the binding pocket of both receptors. These simulations offer a structural view of an allosteric binding mode for an orthosteric GPCR ligand and provide additional opportunities for the design of ligands with different affinities or binding kinetics for different mAChR subtypes. Our findings not only offer insights into the structure and function of one of the most important GPCR families, but may also facilitate the design of improved therapeutics targeting these critical receptors.

59 BASIC BIOLOGICAL SCIENCES↗

Accelerating resonant spectroscopy simulations using multishifted biconjugate gradient

Resonant spectroscopies, which involve intermediate states with finite lifetimes, provide important insights into collective excitations in quantum materials that are otherwise inaccessible. However, theoretical understanding in this area is often limited by the numerical challenges of solving Kramers-Heisenberg-type response functions for large-scale systems. To address this, we introduce a multishifted biconjugate gradient algorithm that exploits the shared structure of Krylov subspaces across spectra with varying incident energies, effectively reducing the computational complexity to that of linear spectroscopies. Both mathematical proofs and numerical benchmarks confirm that this algorithm substantially accelerates spectral simulations, achieving constant complexity independent of the number of incident energies, while ensuring accuracy and stability. This development provides a scalable, versatile framework for simulating advanced spectroscopies in quantum materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Quantitative Non-Destructive Evaluation of Fatigue Damage Based on Multi-Sensor Fusion

Based on sensor fusion and machine learning, this project developed a novel non-destructive evaluation (NDE) methodology, which consists of a remaining useful life (RUL) prediction framework and regression models for predicting residual stress and full width at half maximum (FWHM). A series of fatigue testing experiments were conducted using 5052-H32 aluminum alloy specimens. All specimens were measured using linear ultrasonic (LU) and nonlinear ultrasonic (NLU) testing methods non-destructively. Machine learning models were developed to use LU and NLU measurements to predict loading condition, fatigue level, residual stress, and FWHM. It was demonstrated that the developed methodology could distinguish new and fatigue specimens with an accuracy of 97.53%. Also, the prediction errors for residual stress and FWHM were as low as 4.73% and 1.62%, respectively. An interactive database was created to publicly share the data generated from the project. It is envisioned that the developed NDE technology will equip manufacturers with a responsive screening system for incoming used metallic components, and potentially lead to a significant increase in using used metallic components for remanufacturing.

42 ENGINEERING↗

Statistical Mining of Predictability of Seasonal Precipitation over the United States

Results from a new ensemble canonical correlation (ECC) prediction model yield a remarkable (10-20%) increases in baseline prediction skills for seasonal precipitation over the US for all seasons, compared to traditional statistical predictions. While the tropical Pacific, i.e., El Nino, contributes to the largest share of potential predictability in the southern tier States during boreal winter, the North Pacific and the North Atlantic are responsible for enhanced predictability in the northern Great Plains, Midwest and the southwest US during boreal summer. Most importantly, ECC significantly reduces the spring predictability barrier over the conterminous US, thereby raising the skill bar for dynamical predictions.

Lau, William K. M.↗

Definition of International GPM GV Research Program

The Global Precipitation Measurement (GPM) Mission will consist of a constellation of rain-measuring satellites, the main member of which (the core satellite) will serve as the measurement reference to the other members of the constellation. The core satellite is being developed jointly by the National Aeronautics and Space Administration (NASA) and the newly-named Japan Aerospace Exploration Agency (JAXA -- previously NASDA) along with its government partner, the Communications Research Laboratory (CRL). The GPM mission was proposed as a follow-up mission to the Tropical Rainfall Measuring Mission (TRMM) by both NASA and NASDA based on the unparalleled scientific success of TRMM, and has recently been joined by the European Space Agency (ESA) via its formulation of the European GPM mission (i.e., EGPM). GPM is an ambitious mission designed to produce accurate and frequent global observations of precipitation (both rain and snow) made possible by replacing the TRMM satellite with the new core satellite carrying an advanced radar-radiometer system, and serving as the centerpiece for the constellation of some eight (8) additional satellites being provided through international cooperation. The core satellite is to be flown up to high latitudes (inclined some 65-70 degrees), and will carry a Ku/Ka-band, nadir-scanning, dual-frequency precipitation radar (DPR) that is being developed by JAXA and CRL, along with a large aperture, extended frequency-range, conically-scanning passive microwave radiometer being developed by NASA and its industrial partners. Each constellation satellite will also carry some type of multi-channel passive microwave radiometer (as well as a multi-beam Ka-band radar in the case of EGPM) whose rain estimates will be calibrated and referenced to those made by the core satellite, producing for the first time fully-global, continuous, and bias-free precipitation datasets. GPM data will be delivered in near-realtime, taking a major step toward the operational use of precipitation information for model initialization and data assimilation in a number of application areas such as hazardous weather forecasting, flood warning, fresh water resource assessment, and crop growth prediction. In addition, GPM data will complement the now-existing global temperature record, allowing for improved assessments of climate change, particularly those processes in which the global water cycle both forces and responds to climatic drifts in global temperature conditions. A foremost element of this international constellation mission is a parallel international ground validation (GV) network. This GV network is needed to determine uncertainties in the rain retrievals, critical for application of the retrieval information in weather and hydrometeorological modeling and climate diagnostics, as well as assurances that the satellite retrievals of surface rainfall are consistent with those actually measured at the surface. The key aspects of this network is that it must be worldwide and created through the GPM partnership process. Therefore the network will consist of a confederation of government agencies, academic organizations, private institutions, and individual scientists from a collection of nations who have initiated the process by gathering in Abingdon to develop the fundamentals of the international GPM GV research programme. Therefore in keeping with our responsibilities as the front-runners of the programme, the main objectives of this workshop are: (1) to present and share opinions on interests, perspectives, and concerns about GPM GV research; (2) to examine the conceptual and/or planned GPM GV site templates from NASA, NASDA, ESA, and other partners; (3) to define the main scientific objectives of the international GPM GV research programme; (4) to formulate a preliminary set of international GPM GV science and measurement requirements; and (5) to convene a Steering Committee to aid the organization of the GPM GV program, to document its science implementation plans, and to aid planning for follow-up GPM GV meetings.

Smith, Eric A.↗

Simultaneous dual-task performance reveals parallel response selection after practice

E. H. Schumacher, T. L. Seymour, J. M. Glass, D. E. Kieras, and D. E. Meyer (2001) reported that dual-task costs are minimal when participants are practiced and give the 2 tasks equal emphasis. The present research examined whether such findings are compatible with the operation of an efficient response selection bottleneck. Participants trained until they were able to perform both tasks simultaneously without interference. Novel stimulus pairs produced no reaction time costs, arguing against the development of compound stimulus-response associations (Experiment 1). Manipulating the relative onsets (Experiments 2 and 4) and durations (Experiments 3 and 4) of response selection processes did not lead to dual-task costs. The results indicate that the 2 tasks did not share a bottleneck after practice.

Practice (Psychology)↗

An In-Time Aviation Safety Management System (IASMS) Concept of Operations for Part 139 Airports

Today’s airports are complex multi-faceted ecosystems. Currently, of the 517certificatedairports, 270arerequired to use safety management systems (SMSs) to identify and mitigate known hazards and emergent risks and to voluntarily share safety data with commercial operators and tenants. Airports manage a wide variety of hazards. These traffic hubs have direct responsibilities, such as removing foreign object debris from runways and taxiways and configuring runways to help prevent against incursions and tail strikes during takeoff. To ensure safety in the future NAS, the National Academies recommended an In-time Aviation Safety Management System (IASMS). An IASMS will employ services, functions, and capabilities (SFCs) to identify and mitigate hazards that are proactively and predictively managed based on data analytics of detected anomalies, precursors, and trends. SFCs would scale with airport complexity and environmental conditions using increasingly automated systems to respond proactively to hazards and, by using integrated data sources and predictive safety analytical methods, discover new, never before seen risks.

Ellis, K↗

In-Time Safety Management for Part 139 Airports

Today’s airports are complex multi-faceted ecosystems. Currently, of the 517 certificated airports, 270 are required to use safety management systems (SMSs) to identify and mitigate known hazards and emergent risks and to voluntarily share safety data with commercial operators and tenants. Airports manage a wide variety of hazards. These traffic hubs have direct responsibilities, such as removing foreign object debris from runways and taxiways and configuring runways to help prevent against incursions and tail strikes during takeoff. To ensure safety in the future NAS, the National Academies recommended an In-time Aviation Safety Management System (IASMS). An IASMS will employ services, functions, and capabilities (SFCs) to identify and mitigate hazards that are proactively and predictively managed based on data analytics of detected anomalies, precursors, and trends. SFCs would scale with airport complexity and environmental conditions using increasingly automated systems to respond proactively to hazards and, by using integrated data sources and predictive safety analytical methods, discover new, never before seen risks.

IASMS↗

Managing Increased Electric Vehicle Shares on Decarbonized Bulk Power Systems

Transportation electrification and power sector decarbonization - the convergence of these two trends present a complex planning problem requiring realistic, region-specific modeling and analysis to ensure that both can happen rapidly and cost effectively. This project, funded through the U.S. Department of Energy's Vehicle Technologies Office, models the evolution of the U.S. bulk power system (through 2050) in response to large-scale EV charging across all on-road vehicle segments. We will assess the opportunity and value of demand-side flexibility (i.e., "smart" charging) for reducing energy costs, increasing renewable generation shares, and managing future EV loads on the bulk power system. Overall, this study aims to provide an improved understanding of least-cost solutions for managing EV load growth on the grid and will make high-resolution EV load data sets publicly available for further analysis.

ADVANCED PROPULSION SYSTEMS,ENERGY PLANNING, POLIC↗

Statistical mechanical model of gas adsorption in porous crystals with dynamic moieties

Some nanoporous, crystalline materials possess dynamic constituents, for example, rotatable moieties. These moieties can undergo a conformation change in response to the adsorption of guest molecules, which qualitatively impacts adsorption behavior. Here, we pose and solve a statistical mechanical model of gas adsorption in a porous crystal whose cages share a common ligand that can adopt two distinct rotational conformations. Guest molecules incentivize the ligands to adopt a different rotational configuration than maintained in the empty host. Our model captures inflections, steps, and hysteresis that can arise in the adsorption isotherm as a signature of the rotating ligands. The insights disclosed by our simple model contribute a more intimate understanding of the response and consequence of rotating ligands integrated into porous materials to harness them for gas storage and separations, chemical sensing, drug delivery, catalysis, and nanoscale devices. Particularly, our model reveals design strategies to exploit these moving constituents and engineer improved adsorbents with intrinsic thermal management for pressure-swing adsorption processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Task-Optimized Neural Network Replicates Human Auditory Behavior, Predicts Brain Responses, and Reveals a Cortical Processing Hierarchy

A core goal of auditory neuroscience is to build quantitative models that predict cortical responses to natural sounds. Reasoning that a complete model of auditory cortex must solve ecologically relevant tasks, we optimized hierarchical neural networks for speech and music recognition. The best-performing network contained separate music and speech pathways following early shared processing, potentially replicating human cortical organization. The network performed both tasks as well as humans and exhibited human-like errors despite not being optimized to do so, suggesting common constraints on network and human performance. The network predicted fMRI voxel responses substantially better than traditional spectrotemporal filter models throughout auditory cortex. It also provided a quantitative signature of cortical representational hierarchy—primary and non-primary responses were best predicted by intermediate and late network layers, respectively. Here the results suggest that task optimization provides a powerful set of tools for modeling sensory systems.

59 BASIC BIOLOGICAL SCIENCES↗

Dual Regulation of Gene Expression Mediated by Extended MAPK Activation and Salicylic Acid Contributes to Robust Innate Immunity in Arabidopsis thaliana

Network robustness is a crucial property of the plant immune signaling network because pathogens are under a strong selection pressure to perturb plant network components to dampen plant immune responses. Nevertheless, modulation of network robustness is an area of network biology that has rarely been explored. While two modes of plant immunity, Effector-Triggered Immunity (ETI) and Pattern-Triggered Immunity (PTI), extensively share signaling machinery, the network output is much more robust against perturbations during ETI than PTI, suggesting modulation of network robustness. Here, we report a molecular mechanism underlying the modulation of the network robustness in Arabidopsis thaliana. The salicylic acid (SA) signaling sector regulates a major portion of the plant immune response and is important in immunity against biotrophic and hemibiotrophic pathogens. In Arabidopsis, SA signaling was required for the proper regulation of the vast majority of SA-responsive genes during PTI. However, during ETI, regulation of most SA-responsive genes, including the canonical SA marker gene PR1, could be controlled by SA-independent mechanisms as well as by SA. The activation of the two immune-related MAPKs, MPK3 and MPK6, persisted for several hours during ETI but less than one hour during PTI. Sustained MAPK activation was sufficient to confer SA-independent regulation of most SA-responsive genes. Furthermore, the MPK3 and SA signaling sectors were compensatory to each other for inhibition of bacterial growth as well as for PR1 expression during ETI. These results indicate that the duration of the MAPK activation is a critical determinant for modulation of robustness of the immune signaling network. Our findings with the plant immune signaling network imply that the robustness level of a biological network can be modulated by the activities of network components.

59 BASIC BIOLOGICAL SCIENCES↗

Temporal dynamics of the multi-omic response to endurance exercise training

Regular exercise promotes whole-body health and prevents disease, but the underlying molecular mechanisms are incompletely understood. Here, the Molecular Transducers of Physical Activity Consortium profiled the temporal transcriptome, proteome, metabolome, lipidome, phosphoproteome, acetylproteome, ubiquitylproteome, epigenome and immunome in whole blood, plasma and 18 solid tissues in male and female Rattus norvegicus over eight weeks of endurance exercise training. The resulting data compendium encompasses 9,466 assays across 19 tissues, 25 molecular platforms and 4 training time points. Thousands of shared and tissue-specific molecular alterations were identified, with sex differences found in multiple tissues. Temporal multi-omic and multi-tissue analyses revealed expansive biological insights into the adaptive responses to endurance training, including widespread regulation of immune, metabolic, stress response and mitochondrial pathways. Many changes were relevant to human health, including non-alcoholic fatty liver disease, inflammatory bowel disease, cardiovascular health and tissue injury and recovery. The data and analyses presented in this study will serve as valuable resources for understanding and exploring the multi-tissue molecular effects of endurance training and are provided in a public repository (https://motrpac-data.org/).

59 BASIC BIOLOGICAL SCIENCES↗