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Optimal Bayesian supervised domain adaptation for RNA sequencing data

Abstract Motivation When learning to subtype complex disease based on next-generation sequencing data, the amount of available data is often limited. Recent works have tried to leverage data from other domains to design better predictors in the target domain of interest with varying degrees of success. But they are either limited to the cases requiring the outcome label correspondence across domains or cannot leverage the label information at all. Moreover, the existing methods cannot usually benefit from other information available a priori such as gene interaction networks. Results In this article, we develop a generative optimal Bayesian supervised domain adaptation (OBSDA) model that can integrate RNA sequencing (RNA-Seq) data from different domains along with their labels for improving prediction accuracy in the target domain. Our model can be applied in cases where different domains share the same labels or have different ones. OBSDA is based on a hierarchical Bayesian negative binomial model with parameter factorization, for which the optimal predictor can be derived by marginalization of likelihood over the posterior of the parameters. We first provide an efficient Gibbs sampler for parameter inference in OBSDA. Then, we leverage the gene-gene network prior information and construct an informed and flexible variational family to infer the posterior distributions of model parameters. Comprehensive experiments on real-world RNA-Seq data demonstrate the superior performance of OBSDA, in terms of accuracy in identifying cancer subtypes by utilizing data from different domains. Moreover, we show that by taking advantage of the prior network information we can further improve the performance. Availability and implementation The source code for implementations of OBSDA and SI-OBSDA are available at the following link. https://github.com/SHBLK/BSDA. Supplementary information Supplementary data are available at Bioinformatics online.

Biochemistry & Molecular Biology↗

Pre-commercial Demonstration of Direct Non-iterative State Estimator for Operational Use of Synchrophasor Management Systems

The objective of this project was to demonstrate functionality and performance of a Direct Non-iterative State Estimator (DNSE) integrated with NYPA’s Energy Management System (EMS) and with enhanced Real Time Dynamics Monitoring System (RTDMS) synchrophasor platform from Electric Power Group (EPG). DNSE is designed to overcome a major obstacle to operational use of Synchro-Phasor Management Systems (SPMS) by providing to synchrophasor management systems (SPMS) applications a consistent and a complete synchrophasor data foundation in the same way that a traditional EMS State Estimator (SE) provides to EMS applications. Specifically, DNSE is designed to use synchrophasor measurements collected by a central PDC, Supervisory Control and Data Acquisition (SCADA) measurements, and Energy Management System (EMS) network model, to obtain the complete state of the utility’s operating model at rates that are close to the synchrophasor data rates. In this way, the system is comprehensive in that it does not only cover the part of the network that is “visible” via synchrophasors, but also the part that is only “visible” through the SCADA measurements. Visualization needs associated with the use of DNSE results are fulfilled through suitably enhanced Real Time Dynamics Monitoring System (RTDMS), with the enhancements implemented by EPG. This project had the following goals in mind: To advance the deployment of commercial grade DNSE software application that relies on synchrophasor and SCADA data ; Apply DNSE at other utilities, to address a generic and fundamental need for “clean” operational data for synchrophasor applications; Provide means for “live” estimated data access by control system operators; Enhance potential for situational awareness through full system operational model coverage; Sub-second execution rate of the Direct Non-iterative State Estimator, eventually at a near-phasor data rate execution speed, i.e. < 0.1 sec. Anticipated benefits from this projects are: Enhanced reliability and improvements in the economic efficiency of bulk power system planning and operations; Providing “clean” data to other synchrophasor applications; Enhancement of situational awareness by providing the full operational model updated at near synchrophasor rate; A production-grade software tool that incorporate synchrophasor and SCADA data; Provides a basis for development of next generation monitoring and control applications, based on both SCADA and PMU data. Quanta Technology (QT) team worked in collaboration with Electric Power Group (EPG) whose team has enhanced its commercial Real Time Dynamics Monitoring System (RTDMS) to accommodate the requirements posed by DNSE application. EPG also provided its ePDC and Model-less Data Conditioning (PDVC) software for integration with DNSE+. QT developed the system requirements for DNSE; developed system architecture and defined interfaces between internal DNSE components. The core DNSE algorithm with all surrounding interfaces was named DNSE+. Since the DNSE development was done in a simulated system environment, QT used its PMU simulator that was enhanced during this project for development and factory acceptance testing (FAT). SCADA data in this stage was simulated by commercial PSS/e software. The output of DNSE are estimates of System states in C37.118-2 format, sent to RTDMS for further processing and display. As the number of these states is large, it was necessary to expand the C37.111-2 standard to accommodate large data sets. This enhancement was implemented in RTDMS. The demonstration of pre-production DNSE technology was done at NYPA using streaming field data from NYPA PMUs and from its RTUs through their SCADA system. NYPA provided ICCP interface as well as Common Information Model (CIM). The relevance of the DNSE+ application is that it provides state estimation of the power system based on hybrid set of data, consisting of both available PMU data and SCADA measurements. As this is a direct, non-iterative method of calculation of the system states, if does not suffer from convergence issues which is potential problem for conventional state estimators. Also, it can take any available PMU measurements, so it does not need to have a high percentage of PMU coverage needed in the case of Linear State Estimator. As the DNSE calculates synchrophasors of the system states (both phase and absolute value) as sub-second rate, this application can provide a basis for development of next generation of applications based both on SCADA and PMU data.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Multiscale modeling of HBV infection integrating intra- and intercellular viral propagation to analyze extracellular viral markers

Chronic infection with hepatitis B virus (HBV) is caused by the persistence of closed circular DNA (cccDNA) in the nucleus of infected hepatocytes. Despite available therapeutic anti-HBV agents, eliminating the cccDNA remains challenging. Thus, quantifying and understanding the dynamics of cccDNA are essential for developing effective treatment strategies and new drugs. However, such study requires repeated liver biopsy to measure the intrahepatic cccDNA, which is basically not accepted because liver biopsy is potentially morbid and not common during hepatitis B treatment. We here aimed to develop a noninvasive method for quantifying cccDNA in the liver using surrogate markers in peripheral blood. We constructed a multiscale mathematical model that explicitly incorporates both intracellular and intercellular HBV infection processes. The model, based on age-structured partial differential equations, integrates experimental data from in vitro and in vivo investigations. By applying this model, we roughly predicted the amount and dynamics of intrahepatic cccDNA within a certain range using specific viral markers in serum samples, including HBV DNA, HBsAg, HBeAg, and HBcrAg. Our study represents a significant step towards advancing the understanding of chronic HBV infection. The noninvasive quantification of cccDNA using our proposed method holds promise for improving clinical analyses and treatment strategies. By comprehensively describing the interactions of all components involved in HBV infection, our multiscale mathematical model provides a valuable framework for further research and the development of targeted interventions.

59 BASIC BIOLOGICAL SCIENCES↗

Identification of aerodynamic models for maneuvering aircraft

The method based on Fourier functional analysis and indicial formulation for aerodynamic modeling as proposed by Chin and Lan is extensively examined and improved for the purpose of general applications to realistic airplane configurations. Improvement is made to automate the calculation of model coefficients, and to evaluate more accurately the indicial integral. Test data of large angle-of-attack ranges for two different models, a 70 deg. delta wing and an F-18 model, are used to further verify the applicability of Fourier functional analysis and validate the indicial formulation. The results show that the general expression for harmonic motions throughout a range of k is capable of accurately modeling the nonlinear responses with large phase lag except in the region where an inconsistent hysteresis behavior from one frequency to the other occurs. The results by the indicial formulation indicate that more accurate results can be obtained when the motion starts from a low angle of attack where hysteresis effect is not important.

Lan, C. Edward↗

Modular Hydronic Room Conditioning System (CRADA NFE-24-10120 Final Report)

This project presents the development and validation of high-fidelity numerical models for fin-tube heat exchangers to enable accurate performance prediction and informed design optimization. The modeling framework integrates detailed geometric specifications, thermophysical property data, and system-level constraints to simulate the heat exchanger’s behavior under a range of operating conditions. The model is calibrated using real-world product specifications and validated against experimental data collected from controlled cooling and heating tests. In cooling mode, the model captures the overall trends in capacity and outlet air temperature but tends to underpredict latent effects, especially at lower air flow rates. In heating mode, the simulation consistently overestimates both the thermal capacity and outlet air temperature, indicating the need for refinement in air-side heat transfer assumptions. Despite these deviations, the model provides a solid foundation for optimization, allowing key design variables to be tuned within physical and performance-based constraints. This research advances the ability to simulate, validate, and optimize fin-tube heat exchanger designs with greater confidence and efficiency.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Modular Hydronic Room Conditioning System

This project presents the development and validation of high-fidelity numerical models for fin-tube heat exchangers to enable accurate performance prediction and informed design optimization. The modeling framework integrates detailed geometric specifications, thermophysical property data, and system-level constraints to simulate the heat exchanger’s behavior under a range of operating conditions. The model is calibrated using real-world product specifications and validated against experimental data collected from controlled cooling and heating tests. In cooling mode, the model captures the overall trends in capacity and outlet air temperature but tends to underpredict latent effects, especially at lower air flow rates. In heating mode, the simulation consistently overestimates both the thermal capacity and outlet air temperature, indicating the need for refinement in air-side heat transfer assumptions. Despite these deviations, the model provides a solid foundation for optimization, allowing key design variables to be tuned within physical and performance-based constraints. This research advances the ability to simulate, validate, and optimize fin tube heat exchanger designs with greater confidence and efficiency.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Integrated Reflection Seismic Monitoring and Reservoir Modeling for Geologic CO 2 Sequestration

The US DOE/NETL CCS MVA program funded a project with Fusion Petroleum Technologies Inc. (now SIGMA) to model the proof of concept of using sparse seismic data in the monitoring of CO 2 injected into saline aquifers. The goal of the project was to develop and demonstrate an active source reflection seismic imaging strategy based on deployment of spatially sparse surface seismic arrays. The primary objective was to test the feasibility of sparse seismic array systems to monitor the CO 2 plume migration injected into deep saline aquifers. The USDOE/RMOTC Teapot Dome (Wyoming) 3D seismic and reservoir data targeting the Crow Mountain formation was used as a realistic proxy to evaluate the feasibility of the proposed methodology. Though the RMOTC field has been well studied, the Crow Mountain as a saline aquifer has not been studied previously as a CO 2 sequestration (storage) candidate reservoir. A full reprocessing of the seismic data from field tapes that included prestack time migration (PSTM) followed by prestack depth migration (PSDM) was performed. A baseline reservoir model was generated from the new imaging results that characterized the faults and horizon surfaces of the Crow Mountain reservoir. The 3D interpretation was integrated with the petrophysical data from available wells and incorporated into a geocellular model. The reservoir structure used in the geocellular model was developed using advanced inversion technologies including Fusion's ThinMAN™ broadband spectral inversion. Seal failure risk was assessed using Fusion's proprietary GEOPRESS™ pore pressure and fracture pressure prediction technology. CO 2 injection was simulated into the Crow Mountain with a commercial reservoir simulator. Approximately 1.2MM tons of CO 2 was simulated to be injected into the Crow Mountain reservoir over 30 years and subsequently let 'soak' in the reservoir for 970 years. The relatively small plume developed from this injection was observed migrating due to gravity to the apexes of the double anticline in the Crow Mountain reservoir of the Teapot dome. Four models were generated from the reservoir simulation task of the project which included three saturation models representing snapshots at different times during and after simulated CO 2 injection and a fully saturated CO 2 fluid substitution model. The saturation models were used along with a Gassmann fluid substitution model for CO 2 to perform fluid volumetric substitution in the Crow Mountain formation. The fluid substitution resulted in a velocity and density model for the 3D volume at each saturation condition that was used to generate a synthetic seismic survey. FPTI's (Fusion Petroleum Technologies Inc.) proprietary SeisModelPRO™ full acoustic wave equation software was used to simulate acquisition of a 3D seismic survey on the four models over a subset of the field area. The simulated acquisition area included the injection wells and the majority of the simulated plume area.

02 PETROLEUM↗

Transcription preinitiation complex structure and dynamics provide insight into genetic diseases

Transcription preinitiation complexes (PICs) are vital assemblies whose function underlies the expression of protein-encoding genes. Cryo-EM advances have begun to uncover their structural organization. Nevertheless, functional analyses are hindered by incompletely modeled regions. Here we integrate all available cryo-EM data to build a practically complete human PIC structural model. This enables simulations that reveal the assembly’s global motions, define PIC partitioning into dynamic communities and delineate how structural modules function together to remodel DNA. We identify key TFIIE–p62 interactions that link core-PIC to TFIIH. p62 rigging interlaces p34, p44 and XPD while capping the DNA-binding and ATP-binding sites of XPD. PIC kinks and locks substrate DNA, creating negative supercoiling within the Pol II cleft to facilitate promoter opening. Mapping disease mutations associated with xeroderma pigmentosum, trichothiodystrophy and Cockayne syndrome onto defined communities reveals clustering into three mechanistic classes that affect TFIIH helicase functions, protein interactions and interface dynamics.

Biochemistry & Molecular Biology↗

Towards a Decision Support System for Space Flight Operations

The Mission Operations Directorate (MOD) at the Johnson Space Center (JSC) has put in place a Model Based Systems Engineering (MBSE) technological framework for the development and execution of the Flight Production Process (FPP). This framework has provided much added value and return on investment to date. This paper describes a vision for a model based Decision Support System (DSS) for the development and execution of the FPP and its design and development process. The envisioned system extends the existing MBSE methodology and technological framework which is currently in use. The MBSE technological framework currently in place enables the systematic collection and integration of data required for building an FPP model for a diverse set of missions. This framework includes the technology, people and processes required for rapid development of architectural artifacts. It is used to build a feasible FPP model for the first flight of spacecraft and for recurrent flights throughout the life of the program. This model greatly enhances our ability to effectively engage with a new customer. It provides a preliminary work breakdown structure, data flow information and a master schedule based on its existing knowledge base. These artifacts are then refined and iterated upon with the customer for the development of a robust end-to-end, high-level integrated master schedule and its associated dependencies. The vision is to enhance this framework to enable its application for uncertainty management, decision support and optimization of the design and execution of the FPP by the program. Furthermore, this enhanced framework will enable the agile response and redesign of the FPP based on observed system behavior. The discrepancy of the anticipated system behavior and the observed behavior may be due to the processing of tasks internally, or due to external factors such as changes in program requirements or conditions associated with other organizations that are outside of MOD. The paper provides a roadmap for the three increments of this vision. These increments include (1) hardware and software system components and interfaces with the NASA ground system, (2) uncertainty management and (3) re-planning and automated execution. Each of these increments provide value independently; but some may also enable building of a subsequent increment.

Meshkat, Leila↗

Towards a decision support system for space flight operations

The Mission Operations Directorate (MOD) at the Johnson Space Center (JSC) has put in place a Model Based Systems Engineering (MBSE) technological framework for the development and execution of the Flight Production Process (FPP). This framework has provided much added value and return on investment to date. This paper describes a vision for a model based Decision Support System (DSS) for the development and execution of the FPP and its design and development process. The envisioned system extends the existing MBSE methodology and technological framework which is currently in use. The MBSE technological framework currently in place enables the systematic collection and integration of data required for building an FPP model for a diverse set of missions. This framework includes the technology, people and processes required for rapid development of architectural artifacts. It is used to build a feasible FPP model for the first flight of spacecraft and for recurrent flights throughout the life of the program. This model greatly enhances our ability to effectively engage with a new customer. It provides a preliminary work breakdown structure, data flow information and a master schedule based on its existing knowledge base. These artifacts are then refined and iterated upon with the customer for the development of a robust end-to-end, high-level integrated master schedule and its associated dependencies. The vision is to enhance this framework to enable its application for uncertainty management, decision support and optimization of the design and execution of the FPP by the program. Furthermore, this enhanced framework will enable the agile response and redesign of the FPP based on observed system behavior. The differences between the anticipated system behavior and the observed behavior may be due to the processing of tasks internally, or due to external factors such as changes in program requirements or conditions associated with other organizations that are outside of MOD. The paper provides a roadmap for the four increments of this vision. These increments include (1) the existing capabilities (2) hardware and software system components and interfaces with the NASA ground system, (3) uncertainty management and (4) re-planning and automated execution. Each of these increments provides value independently; but some may also enable building of a subsequent increment.

Ruszkowski, James↗

Community-Engaged Modeling of Urban Flood Adaptation Pathways

Climate change is intensifying the hydrologic cycle, leading to more frequent and severe rainfall-driven (pluvial) flooding in urban areas. In the mid-Atlantic US cities, aging and under-designed stormwater infrastructure is increasingly strained by these events, resulting in recurring damage to property and disruptions to transportation networks. In this study, we combine community engagement with hydrologic modeling to develop and evaluate potential urban flood adaptation strategies. Over a three-year period, local technical experts and community representatives met regularly to discuss flooding concerns, identify priorities, and co-develop adaptation strategies. These discussions informed the development of an urban flooding model (EPA Storm Water Management Model) for the Baltimore Harbor watershed, the focus location of this study. The flooding model integrates complex surface and subsurface stormwater infrastructure data, local expert knowledge, and community insights. We simulate stakeholder-prioritized adaptations, such as green and gray infrastructure strategies. Model results demonstrate that enhanced infrastructure maintenance is the most effective adaptation for reducing flood depths, but has varied effects across the watershed, and can increase flooding in some locations. Spatially concentrated greening provides limited benefit to the watershed as a whole, but moderate benefit in community priority areas. Together, these adaptations have the potential to reduce flood depths by as much as 58% in some locations, greatly reducing property damage and mobility impacts, primary concerns of stakeholders. Future work will implement robust optimization tools to search for adaptations which meet stakeholder objectives and perform highly under varied future climate conditions. This work contributes to the expanding literature on collaborative modeling and demonstrates that community-engaged approaches can enhance model credibility and generate more actionable insights for communities seeking to strengthen climate resilience.

Spangler, Ava [Pennsylvania State University] (ORC↗

Community-Informed Urban Flood Modeling for Impact Mitigation

Climate change is intensifying the hydrologic cycle, leading to more frequent and severe rainfall-driven (pluvial) flooding in urban areas. In the mid-Atlantic US cities, aging and under-designed stormwater infrastructure is increasingly strained by these events, resulting in recurring damage to property and disruptions to transportation networks. In this study, we combine community engagement with hydrologic modeling to develop and evaluate potential urban flood adaptation strategies. Over a three-year period, local technical experts and community representatives met regularly to discuss flooding concerns, identify priorities, and co-develop adaptation strategies. These discussions informed the development of an urban flooding model (EPA Storm Water Management Model) for the Baltimore Harbor watershed, the focus location of this study. The flooding model integrates complex surface and subsurface stormwater infrastructure data, local expert knowledge, and community insights. We simulate stakeholder-prioritized adaptations, such as green and gray infrastructure strategies. Model results demonstrate that enhanced infrastructure maintenance is the most effective adaptation for reducing flood depths, but has varied effects across the watershed, and can increase flooding in some locations. Spatially concentrated greening provides limited benefit to the watershed as a whole, but moderate benefit in community priority areas. Together, these adaptations have the potential to reduce flood depths by as much as 58% in some locations, greatly reducing property damage and mobility impacts, primary concerns of stakeholders. Future work will implement robust optimization tools to search for adaptations which meet stakeholder objectives and perform highly under varied future climate conditions. This work contributes to the expanding literature on collaborative modeling and demonstrates that community-engaged approaches can enhance model credibility and generate more actionable insights for communities seeking to strengthen climate resilience.

Baltimore MD↗

Visualizing Flutter Mechanism as Traveling Wave Through Animation of Simulation Results for the Semi-Span Super-Sonic Transport Wind-Tunnel Model

It has long been recognized that frequency and phasing of structural modes in the presence of airflow play a fundamental role in the occurrence of flutter. Animation of simulation results for the long, slender Semi-Span Super-Sonic Transport (S4T) wind-tunnel model demonstrates that, for the case of mass-ballasted nacelles, the flutter mode can be described as a traveling wave propagating downstream. Such a characterization provides certain insights, such as (1) describing the means by which energy is transferred from the airflow to the structure, (2) identifying airspeed as an upper limit for speed of wave propagation, (3) providing an interpretation for a companion mode that coalesces in frequency with the flutter mode but becomes very well damped, (4) providing an explanation for bursts of response to uniform turbulence, and (5) providing an explanation for loss of low frequency (lead) phase margin with increases in dynamic pressure (at constant Mach number) for feedback systems that use sensors located upstream from active control surfaces. Results from simulation animation, simplified modeling, and wind-tunnel testing are presented for comparison. The simulation animation was generated using double time-integration in Simulink of vertical accelerometer signals distributed over wing and fuselage, along with time histories for actuated control surfaces. Crossing points for a zero-elevation reference plane were tracked along a network of lines connecting the accelerometer locations. Accelerometer signals were used in preference to modal displacement state variables in anticipation that the technique could be used to animate motion of the actual wind-tunnel model using data acquired during testing. Double integration of wind-tunnel accelerometer signals introduced severe drift even with removal of both position and rate biases such that the technique does not currently work. Using wind-tunnel data to drive a Kalman filter based upon fitting coefficients to analytical mode shapes might provide a better means to animate the wind tunnel data.

Christhilf, David M.↗

Feasibility of Adding Twitter Data to Aid Drought Depiction: Case Study in Colorado

The use of social media, such as Twitter, has changed the information landscape for citizens’ participation in crisis response and recovery activities. Given that drought progression is slow and also spatially extensive, an interesting set of questions arise, such as how the usage of Twitter by a large population may change during the development of a major drought alongside how the changing usage facilitates drought detection. For this reason, contemporary analysis of how social media data, in conjunction with meteorological records, was conducted towards improvement in the detection of drought and its progression. The research utilized machine learning techniques applied over satellite-derived drought conditions in Colorado. Three different machine learning techniques were examined: the generalized linear model, support vector machines and deep learning, each applied to test the integration of Twitter data with meteorological records as a predictor of drought development. It is found that the integration of data resources is viable given that the Twitter-based model outperformed the control run which did not include social media input. Eight of the ten models tested showed quantifiable improvements in the performance over the control run model, suggesting that the Twitter-based model was superior in predicting drought severity. Future work lies in expanding this method to depict drought in the western U.S.

54 ENVIRONMENTAL SCIENCES↗

Work Plan for the Site-wide SSHAC Level 3 Probabilistic Seismic Hazard Analysis at INL

This work plan provides the overall framework, key activities, key tasks, and schedule for the execution of a probabilistic seismic hazard analysis at Idaho National Laboratory (INL). The probabilistic seismic hazard analysis will follow processes and procedures appropriate for the Senior Seismic Hazard Analysis Committee (SSHAC) Level 3 study provided in U. S. Nuclear Regulatory Commission guidance, NUREG-2213. The SSHAC Level 3 probabilistic seismic hazard analysis (PSHA) is being conducted as an INL site-wide effort. The work plan was developed and revised by participants who will perform the SSHAC Level 3 PSHA. The work plan also includes the quality assurance requirements commensurate with American Society of Mechanical Engineers Nuclear Quality Assurance NQA 1 2008/2009 and 2011 Addendum for design nuclear facilities under the U.S. Department of Energy and U. S. Nuclear Regulatory Commission. The scope of the SSHAC Level 3 PSHA is designed to produce the mean-centered definition of the seismic hazard with the appropriate treatment of uncertainties supported by the associated technical justifications. The SSHAC Level 3 study will properly implement and completely document the activities of evaluation, integration, and documentation. The evaluation process will consider data, models, and methods proposed by the larger technical community that are relevant to the PSHA at INL. The integration process will build seismic-source and ground-motion characterization models that represent the center, body, and range of technically defensible interpretations, taking into consideration the outcomes of the evaluation process. Key tasks and activities—such as a project kickoff meeting, three workshops, four formal working meetings, and a briefing meeting with the Participatory Peer Review Panel—will occur for the seven-member technical integration teams to construct seismic-source and ground-motion-characterization models. Both preliminary and final hazard-input documents will be developed to perform sensitivity analyses and the final PSHA, respectively. The entire study will be thoroughly documented in draft and final reports. The Participatory Peer Review Panel will review the SSHAC Level 3 study from start to finish, including the draft and final INL Site-wide PSHA reports, so they can provide a closure letter documenting the study’s adherence to SSHAC processes and technical adequacy of the final products.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Implementation of Coupled Skin Temperature Analysis and Bias Correction in a Global Atmospheric Data Assimilation System

The NASA/NCAR Finite Volume GCM (fvGCM) with the NCAR CLM (Community Land Model) version 2.0 was integrated into the NASA/GMAO Finite Volume Data Assimilation System (fvDAS). A new method was developed for coupled skin temperature assimilation and bias correction where the analysis increment and bias correction term is passed into the CLM2 and considered a forcing term in the solution to the energy balance. For our purposes, the fvDAS CLM2 was run at 1 deg. x 1.25 deg. horizontal resolution with 55 vertical levels. We assimilate the ISCCP-DX (30 km resolution) surface temperature product. The atmospheric analysis was performed 6-hourly, while the skin temperature analysis was performed 3-hourly. The bias correction term, which was updated at the analysis times, was added to the skin temperature tendency equation at every timestep. In this presentation, we focus on the validation of the surface energy budget at the in situ reference sites for the Coordinated Enhanced Observation Period (CEOP). We will concentrate on sites that include independent skin temperature measurements and complete energy budget observations for the month of July 2001. In addition, MODIS skin temperature will be used for validation. Several assimilations were conducted and preliminary results will be presented.

Radakovich, Jon↗

Development of a High Resolution Weather Forecast Model for Mesoamerica Using the NASA Ames Code I Private Cloud Computing Environment

Two projects at NASA Marshall Space Flight Center have collaborated to develop a high resolution weather forecast model for Mesoamerica: The NASA Short-term Prediction Research and Transition (SPoRT) Center, which integrates unique NASA satellite and weather forecast modeling capabilities into the operational weather forecasting community. NASA's SERVIR Program, which integrates satellite observations, ground-based data, and forecast models to improve disaster response in Central America, the Caribbean, Africa, and the Himalayas.

Molthan, Andrew↗

Modification and analysis of context-specific genome-scale metabolic models: methane-utilizing microbial chassis as a case study

ABSTRACT Context-specific genome-scale model (CS-GSM) reconstruction is becoming an efficient strategy for integrating and cross-comparing experimental multi-scale data to explore the relationship between cellular genotypes, facilitating fundamental or applied research discoveries. However, the application of CS modeling for non-conventional microbes is still challenging. Here, we present a graphical user interface that integrates COBRApy, EscherPy, and RIPTiDe, Python-based tools within the BioUML platform, and streamlines the reconstruction and interrogation of the CS genome-scale metabolic frameworks via Jupyter Notebook. The approach was tested using -omics data collected for Methylotuvimicrobium alcaliphilum 20Z R , a prominent microbial chassis for methane capturing and valorization. We optimized the previously reconstructed whole genome-scale metabolic network by adjusting the flux distribution using gene expression data. The outputs of the automatically reconstructed CS metabolic network were comparable to manually optimized i IA409 models for Ca-growth conditions. However, the CS model questions the reversibility of the phosphoketolase pathway and suggests higher flux via primary oxidation pathways. The model also highlighted unresolved carbon partitioning between assimilatory and catabolic pathways at the formaldehyde-formate node. Only a very few genes and only one enzyme with a predicted function in C1 metabolism, a homolog of the formaldehyde oxidation enzyme ( fae1-2 ), showed a significant change in expression in La-growth conditions. The CS-GSM predictions agreed with the experimental measurements under the assumption that the Fae1-2 is a part of the tetrahydrofolate-linked pathway. The cellular roles of the tungsten (W)-dependent formate dehydrogenase ( fdhAB ) and fae homologs ( fae1-2 and fae3 ) were investigated via mutagenesis. The phenotype of the f dhAB mutant followed the model prediction. Furthermore, a more significant reduction of the biomass yield was observed during growth in La-supplemented media, confirming a higher flux through formate. M. alcaliphilum 20Z R mutants lacking fae1-2 did not display any significant defects in methane or methanol-dependent growth. However, contrary to fae1, the fae1-2 homolog failed to restore the formaldehyde-activating enzyme function in complementation tests. Overall, the presented data suggest that the developed computational workflow supports the reconstruction and validation of CS-GSM networks of non-model microbes. IMPORTANCE The interrogation of various types of data is a routine strategy to explore the relationship between genotype and phenotype. An efficient approach for integrating and cross-comparing experimental multi-scale data in the context of whole-genome-based metabolic network reconstruction becomes a powerful tool that facilitates fundamental and applied research discoveries. The present study describes the reconstruction of a context-specific (CS) model for the methane-utilizing bacterium, Methylotuvimicrobium alcaliphilum 20Z R . M. alcaliphilum 20Z R is becoming an attractive microbial platform for the production of biofuels, chemicals, pharmaceuticals, and bio-sorbents for capturing atmospheric methane. We demonstrate that this pipeline can help reconstruct metabolic models that are similar to manually curated networks. Furthermore, the model is able to highlight previously overlooked pathways, thus advancing fundamental knowledge of non-model microbial systems or promoting their development toward biotechnological or environmental implementations.

Kulyashov, M. A.↗