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At least 1,099 records · Page 61

Parameter Estimation for Thurstone Choice Models

We consider the estimation accuracy of individual strength parameters of a Thurstone choice model when each input observation consists of a choice of one item from a set of two or more items (so called top-1 lists). This model accommodates the well-known choice models such as the Luce choice model for comparison sets of two or more items and the Bradley-Terry model for pair comparisons. We provide a tight characterization of the mean squared error of the maximum likelihood parameter estimator. We also provide similar characterizations for parameter estimators defined by a rank-breaking method, which amounts to deducing one or more pair comparisons from a comparison of two or more items, assuming independence of these pair comparisons, and maximizing a likelihood function derived under these assumptions. We also consider a related binary classification problem where each individual parameter takes value from a set of two possible values and the goal is to correctly classify all items within a prescribed classification error. The results of this paper shed light on how the parameter estimation accuracy depends on given Thurstone choice model and the structure of comparison sets. In particular, we found that for unbiased input comparison sets of a given cardinality, when in expectation each comparison set of given cardinality occurs the same number of times, for a broad class of Thurstone choice models, the mean squared error decreases with the cardinality of comparison sets, but only marginally according to a diminishing returns relation. On the other hand, we found that there exist Thurstone choice models for which the mean squared error of the maximum likelihood parameter estimator can decrease much faster with the cardinality of comparison sets. We report empirical evaluation of some claims and key parameters revealed by theory using both synthetic and real-world input data from some popular sport competitions and online labor platforms.

97 MATHEMATICS AND COMPUTING↗

Advanced Demonstration and Test Reactor Options Study

Global efforts to address climate change will require large-scale decarbonization of energy production in the United States and elsewhere. Nuclear power already provides 20% of electricity production in the United States (U.S.) and is increasing in countries undergoing rapid growth around the world. Because reliable, grid-stabilizing, low emission electricity generation, energy security, and energy resource diversity will be increasingly valued, nuclear power’s share of electricity production has a potential to grow. In addition, there are non electricity applications (e.g., process heat, desalination, hydrogen production) that could be better served by advanced nuclear systems. Thus, the timely development, demonstration, and commercialization of advanced nuclear reactors could diversify the nuclear technologies available and offer attractive technology options to expand the impact of nuclear energy for electricity generation and non-electricity missions. The purpose of this planning study is to provide transparent and defensible technology options for a test and/or demonstration reactor(s) to be built to support public policy, innovation and long term commercialization within the context of the Department of Energy’s (DOE’s) broader commitment to pursuing an “all of the above” clean energy strategy and associated time lines. This planning study includes identification of the key features and timing needed for advanced test or demonstration reactors to support research, development, and technology demonstration leading to the commercialization of power plants built upon these advanced reactor platforms. This planning study is consistent with the Congressional language contained within the fiscal year 2015 appropriation that directed the DOE to conduct a planning study to evaluate “advanced reactor technology options, capabilities, and requirements within the context of national needs and public policy to support innovation in nuclear energy”. Advanced reactors are defined in this study as reactors that use coolants other than water. Advanced reactor technologies have the potential to expand the energy applications, enhance the competitiveness, and improve the sustainability of nuclear energy.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

BENEFIT with Northeastern University: HVAC Hardware-in-the-Loop Experimental Testing of a Heat Pump and Air Conditioner

This dataset includes HVAC Hardware-in-the-Loop (HIL) experimental results for a single stage, SEER 16, HSPF 9.5, 3-ton single-speed air source heat pump with 15 kW of backup auxiliary heating tested in both cooling and heating mode, and a two stage, SEER 21, 2-ton central air conditioner tested in cooling mode for a set of outdoor temperatures and indoor setpoint temperatures. In addition to these tests, experimental tests focused on the operation of auxiliary heating for the heat pump for winter condition were also conducted. The laboratory experiments for transient testing of the heat pump and air conditioner were conducted using the two HIL systems in the Systems Performance Laboratory (SPL) at NREL’s Energy Systems Integration Facility (ESIF). Further information on laboratory design and capabilities of the SPL along with the architecture of HVAC HIL system can be found in: Sparn, B. F. 2018. Laboratory Resources and Techniques to Evaluate Smart Home Technology (No. NREL/CP-5500-71696). National Renewable Energy Laboratory (NREL), Golden, CO (United States). https://www.nrel.gov/docs/fy18osti/71696.pdf and the experimental setup and validation of HVAC HIL platform can be found in: Ramaraj, S. and Sparn, B. 2022. Validation of HVAC Hardware-In-the-Loop Simulation for Advanced Control Strategies in Smart Homes (No. NREL/CP-5500-82562). National Renewable Energy Lab (NREL), Golden, CO (United States). https://www.nrel.gov/docs/fy22osti/82562.pdf. These experimental results can be used to validate how we currently model the cycling behavior of heat pumps and air conditioners. Additionally, many demand response programs implement heat pump and air conditioner control by changing the thermostat set point – these data may also be used to verify our models for heat pump and air conditioner demand response control are implemented correctly. The Test_Matrix file describes all the indoor and outdoor test conditions for heat pump and air conditioner and the file names of data sets include information about the test conditions. A wide range of outdoor air temperatures were chosen to accommodate summer and winter conditions. In addition to operating the HVAC equipment with different outdoor temperatures, we also operate the system with different indoor temperature set points to represent different grid signals or different operating conditions. For cooling conditions, the baseline set point is 72°F. To represent Load Up signals, the setpoint is changed to 68°F. The Load Shed set point is 76°F. For heating conditions, the baseline set point was assumed to be 68°F. The Load add set point is 72°F and the Load shed set point is 64°F. The starting indoor temperature for cooling conditions was set ~2°F above the indoor setpoint temperature so that the equipment turned on quickly. Similarly, the initial indoor temperature was set ~2°F lower than setpoint for heating mode tests to ensure that heating began quickly. The return air temperature was assumed to be equal to the indoor setpoint temperature in all cases. The experimental data are sampled at 1-second intervals. The data from ecobee thermostat at 5-minute interval are resampled and added to the corresponding file. The content of each data set is as follows: • T_Return (C): Measured return air temperature [C] • T_Return_SP (C): Return air temperature setpoint from E+ model, sent to HIL [C] • T_Supply (C): Measured supply air temperature at evaporator outlet [C] • T_Outdoor (C): Measured outdoor air temperature [C] • T_Outdoor_SP (C): Outdoor air temperature setpoint from weather file, sent to HIL [C] • T_Indoor (C): Measured indoor air temperature [C] • T_Indoor_SP (C): Indoor air temperature setpoint from E+ model, sent to HIL [C] • Outdoor Unit Power (W): Measured power of the outdoor unit [W] • Indoor Unit Power (W): Measured power of the indoor unit [W] • Evaporator Airflow Rate (CFM): Measured evaporator or indoor unit airflow rate sent to E+ model [CFM] • Cooling/Heating Capacity (kW): Calculated cooling/heating capacity sent to E+ model [kW] • T_SP_Thermostat (C): Thermostat cooling/heating setpoint temperature [C] • T_Indoor_Thermostat (C): Thermostat indoor air temperature [C]

24 POWER TRANSMISSION AND DISTRIBUTION↗

Feasibility of using a knowledge-based system concept for in-flight primary flight display research

A study was conducted to determine the feasibility of using knowledge-based systems architectures for inflight research of primary flight display information management issues. The feasibility relied on the ability to integrate knowledge-based systems with existing onboard aircraft systems. And, given the hardware and software platforms available, the feasibility also depended on the ability to use interpreted LISP software with the real time operation of the primary flight display. In addition to evaluating these feasibility issues, the study determined whether the software engineering advantages of knowledge-based systems found for this application in the earlier workstation study extended to the inflight research environment. To study these issues, two integrated knowledge-based systems were designed to control the primary flight display according to pre-existing specifications of an ongoing primary flight display information management research effort. These two systems were implemented to assess the feasibility and software engineering issues listed. Flight test results were successful in showing the feasibility of using knowledge-based systems inflight with actual aircraft data.

Ricks, Wendell R.↗

STOVL CFD model test case

The transitional flight characteristics of a geometrically simplified Short Take-Off Vertical Landing (STOVL) aircraft configuration have been measured in the NASA Ames 7- by 10-Foot Wind Tunnel. The experiment is the first in a sequence of tests designed to provide detailed data for evaluating the capability of computational fluid dynamics methods to predict the important flow parameters for powered lift. The model consists of a 60 deg cropped delta wing platform, blended fuselage and two circular in-line jets that exit perpendicularly from the flat lower surface. The measured flows have a maximum freestream Mach number of 0.2. Model angle of attack is varied between -10 and +20 deg. The flow is ambient temperature in both jet exits and the nozzle pressure ratios are varied between 1 and 3. The data presented includes forces and moments, pressures measured at 281 surface pressure ports and the pressures of the jets. Measurements of the flow are also made in the tunnel test section upstream and downstream of the model and at the jet exits to guide boundary condition selection for the planned computations. Flow visualization and total pressure measurements in the jet plumes provide a description of the three-dimensional jet efflux flowfield.

Roth, Karlin R.↗

Life Sciences Research and Development Opportunities During Suborbital Space Flight

Suborbital space platforms provide a unique opportunity for Space Life Sciences in the next few years. The opportunities include: physiological characterization of the first few minutes of space flight; evaluation of a wide-variety of medical conditions during periods of hyper and hypo-gravity through physiological monitoring; and evaluation of new biomedical and environmental health technologies under hyper and hypo-gravity conditions

Davis, Jeffrey R.↗

Development of a Prototype Algal Reactor for Removing CO2 from Cabin Air

Controlling carbon dioxide in spacecraft cabin air may be accomplished using algal photobioreactors (PBRs). The purpose of this project was to evaluate the use of a commercial microcontroller, the Arduino Mega 2560, for measuring key phot~ioreactor variables: dissolved oxygen, pH, temperature, light, and carbon dioxide. The Arduino platform is an opensource physical computing platform composed of a compact microcontroller board and a C++/C computer language (Arduino 1.0.5). The functionality of the Arduino platform can be expanded by the use of numerous add-ons or 'shields'. The Arduino Mega 2560 was equipped with the following shields: datalogger, BNC shield for reading pH sensor, a Mega Moto shield for controlling CO2 addition, as well as multiple sensors. The dissolved oxygen (DO) probe was calibrated using a nitrogen bubbling technique and the pH probe was calibrated via an Omega pH simulator. The PBR was constructed using a 2 L beaker, a 66 L box for addition of CO2, a micro porous membrane, a diaphragm pump, four 25 watt light bulbs, a MasterFiex speed controller, and a fan. The algae (wild type Synechocystis PCC6803) was grown in an aerated flask until the algae was dense enough to used in the main reactor. After the algae was grown, it was transferred to the 2 L beaker where CO2 consumption and O2 production was measured using the microcontroller sensor suite. The data was recorded via the datalogger and transferred to a computer for analysis.

Patel, Vrajen↗

Portable Virtual Training Units

The Mission Operations Lab initiated a project to design, develop, deliver, test, and validate a unique training system for astronaut and ground support personnel. In an effort to keep training costs low, virtual training units (VTUs) have been designed based on images of actual hardware and manipulated by a touch screen style interface for ground support personnel training. This project helped modernized the training system and materials by integrating them with mobile devices for training when operators or crew are unavailable to physically train in the facility. This project also tested the concept of a handheld remote device to control integrated trainers using International Space Station (ISS) training simulators as a platform. The portable VTU can interface with the full-sized VTU, allowing a trainer co-located with a trainee to remotely manipulate a VTU and evaluate a trainee's response. This project helped determine if it is useful, cost effective, and beneficial for the instructor to have a portable handheld device to control the behavior of the models during training. This project has advanced NASA Marshall Space Flight Center's (MSFC's) VTU capabilities with modern and relevant technology to support space flight training needs of today and tomorrow.

Malone, Reagan↗

Advanced Demonstration and Test Reactor Options Study

Global efforts to address climate change will require large-scale decarbonization of energy production in the United States and elsewhere. Nuclear power already provides 20% of electricity production in the United States (U.S.) and is increasing in countries undergoing rapid growth around the world. Because reliable, grid-stabilizing, low emission electricity generation, energy security, and energy resource diversity will be increasingly valued, nuclear power’s share of electricity production has a potential to grow. In addition, there are non electricity applications (e.g., process heat, desalination, hydrogen production) that could be better served by advanced nuclear systems. Thus, the timely development, demonstration, and commercialization of advanced nuclear reactors could diversify the nuclear technologies available and offer attractive technology options to expand the impact of nuclear energy for electricity generation and non-electricity missions. The purpose of this planning study is to provide transparent and defensible technology options for a test and/or demonstration reactor(s) to be built to support public policy, innovation and long term commercialization within the context of the Department of Energy’s (DOE’s) broader commitment to pursuing an “all of the above” clean energy strategy and associated time lines. This planning study includes identification of the key features and timing needed for advanced test or demonstration reactors to support research, development, and technology demonstration leading to the commercialization of power plants built upon these advanced reactor platforms. This planning study is consistent with the Congressional language contained within the fiscal year 2015 appropriation that directed the DOE to conduct a planning study to evaluate “advanced reactor technology options, capabilities, and requirements within the context of national needs and public policy to support innovation in nuclear energy”. Advanced reactors are defined in this study as reactors that use coolants other than water. Advanced reactor technologies have the potential to expand the energy applications, enhance the competitiveness, and improve the sustainability of nuclear energy.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Nanomaterial-Treated Filters for the Uptake of Heavy Metals from Water Sources

We describe the synthesis and properties of ligand-modified gold nanoparticles (AuNPs) grown on stainless steel wool filters. Their selectivity and efficiency with regards to heavy metal uptake from groundwater and other sources of drinking water found at or near DOE facilities were also investigated. The nanomaterial-treated filters are advantageous because they serve as inactive supports that allow for efficient flow of the contaminated water, and can be easily replaced after heavy metal uptake. They are also comparable to nanomaterials free in solution with regards to the effectiveness of remediation of drinking water. Environmental stewardship is at the forefront of core competencies at SRNS. This includes treatment and remediation of contaminated groundwater. Among contaminants present in water resources, hazardous heavy metals and radioactive contaminants are the main concerns in the DOE complex. With the advent of nanotechnology, new remediation technologies have emerged. AuNPs have unique optical properties and enormous surface areas, making them good candidates for water remediation. They can be functionalized with ligands, e.g. citrate and L-cysteine, allowing them to serve as an excellent platform for environmental stewardship applications. Objectives: 1. Nanomaterial development and characterization Ligand-modified AuNPs: (a) in solution and (b) on stainless steel wool filters 2. Nanomaterial evaluation for efficiency and selectivity of heavy metal uptake, including Cu{sup 2+} and Zn{sup 2+}. Materials and Methods: Chloroauric acid (HAuCl{sub 4}), sodium citrate (reducing and capping agent); Stainless steel wool (SSW) was used as a support and filter; L-cysteine- ligand for surface functionalization; Zinc acetate and copper nitrate: heavy metal ions contaminants. Au NPs were prepared by wet chemistry methods. They were characterized by UV-Vis, Zeta sizer and potential, SEM, EDS and EDS mapping to understand their physico-chemical properties. Results and Discussions: Surface modification of AuNPs with surfactants changes their optical properties. Citrate capped AuNPs demonstrate high loading capacity for both heavy metals. L-cysteine capped AuNPs demonstrate high loading capacity for Zn{sup 2+}. Citrate capped AuNPs have excellent sensitivity towards heavy metal ions (0.05 mM can be detected). L-cysteine capped AuNPs can detect heavy metal ions at low concentrations, making them useful for sensing. Conclusions: AuNPs in solution and on SSW were successfully synthesized and characterized. Two functional sensing and remediation technologies - colorimetric sensor and AuNP-treated filters - were developed through wet chemistry methods. AuNP SSW filters exhibit different characteristics (size, shape, etc.) than AuNPs in solution and are efficient at the uptake of heavy metal ions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

ARIES: Advanced Research on Integrated Energy Systems

One of the primary challenges to achieving a clean energy future is closing the gap between ambitions and real-world deployment. To accelerate solutions for a clean energy future, the National Renewable Energy Laboratory (NREL), in partnership with the U.S. Department of Energy's Office of Energy Efficiency and Renewable Energy, developed a visionary research platform called Advanced Research on Integrated Energy Systems (ARIES). ARIES takes in the full picture - from community energy needs to technology developers and service providers - rather than evaluating clean energy and technologies in isolation. This innovative approach uncovers opportunities and risks in the spaces where energy technologies and sectors - such as transportation, industry, buildings, and the electric grid - meet.

ARIES↗

Ex vivo to in vivo model of malignant peripheral nerve sheath tumors for precision oncology

Malignant peripheral nerve sheath tumors (MPNST) are aggressive soft tissue sarcomas that often develop in patients with neurofibromatosis type 1 (NF1). To address the critical need for novel therapeutics in MPNST, we aimed to establish an ex vivo 3D platform that accurately captured the genomic diversity of MPNST and could be utilized in a medium-throughput manner for drug screening studies to be validated in vivo using patient-derived xenografts (PDX). Genomic analysis was performed on all PDX-tumor pairs. Selected PDX were harvested for assembly into 3D microtissues. Based on prior work in our labs, we evaluated drugs (trabectedin, olaparib, and mirdametinib) ex vivo and in vivo. For 3D microtissue studies, cell viability was the endpoint as assessed by Zeiss Axio Observer. For PDX drug studies, tumor volume was measured twice weekly. Bulk RNA sequencing was performed to identify pathways enriched in cells. We developed 13 NF1-associated MPNST-PDX and identified mutations or structural abnormalities in NF1 (100%), SUZ12 (85%), EED (15%), TP53 (15%), CDKN2A (85%), and chromosome 8 gain (77%). We successfully assembled PDX into 3D microtissues, categorized as robust (>90% viability at 48 h), good (>50%), or unusable (<50%). We evaluated drug response to “robust” or “good” microtissues, namely MN-2, JH-2-002, JH-2-079-c, and WU-225. Drug response ex vivo predicted drug response in vivo, and enhanced drug effects were observed in select models. These data support the successful establishment of a novel 3D platform for drug discovery and MPNST biology exploration in a system representative of the human condition.

60 APPLIED LIFE SCIENCES↗

Development of the Upgraded DC Brush Gear Motor for Spacebus Platforms

The obsolescence of materials and processes used in the manufacture of traditional DC brush gear motors has necessitated the development of an upgraded DC brush gear motor (UBGM). The current traditional DC brush gear motor (BGM) design was evaluated using Six-Sigma process to identify potential design and production process improvements. The development effort resulted in a qualified UBGM design which improved manufacturability and reduced production costs. Using Six-Sigma processes and incorporating lessons learned during the development process also improved motor performance for UBGM making it a more viable option for future use as a deployment mechanism in space flight applications.

Berning, Robert H.↗

Case Study: Field Evaluation of a Low-Cost Circuit-Level Electrical Submetering System

Circuit-level metering technologies provide the ability to monitor individual circuits within an electrical panel in a building, providing detailed power and energy consumption data at a much more granular level than was previously achievable in a cost-effective manner. While the fundamental hardware components of circuit-level—split-core current transformers (CTs) and power monitoring meters—have existed for some time, the new offerings in the market have tightly integrated these components, lower costs, and have streamlined data organization, transport, and access via software solutions accessible through web and application programming interfaces (API). NREL evaluated Meazon’s single-circuit metering system. The evaluation of the equipment under test (EUT) focused on three aspects: (1) accuracy of the data provided by the system, (2) ease of installation of this technology and ease of data integration into existing U.S. General Services Administration (GSA) analytics platforms, and (3) total cost of ownership and cost-effectiveness of the technology. The metering technology was tested in a field deployment where it was installed in low and high-voltage commercial electrical panels in the César E. Chávez Memorial Building in Denver, Colorado. The goals were to assess the metering accuracy, the ease of installation and data retrieval, and the total cost of ownership and cost-effectiveness. This technology proved easy to install by a certified electrician who completed the install of 6 meters in 2 separate panels (120/208 V and 277/480 V) and 2 circuit disconnects (along with associated commissioning) at the César E. Chávez Memorial Building in less than one day. The technology was installed in high- and low-voltage panels and with limited space in the electrical room, demonstrating the applicability of this technology to almost all commercial buildings in the GSA portfolio. Primary considerations for this technology include appropriate sizing of CTs for each circuit, selection of loads/circuits/panels that are of high value for detailed submetering (e.g., tailored for high-load devices), and how GSA would like to integrate these data with its existing energy management infrastructure. Through the field evaluation, we demonstrated data integration from the vendor system into the primary software component on the GSA enterprise-level energy management and information system, GSA Link. Data from the circuit-level metering were integrated into this platform and used to perform FDD. This demonstrated the ability of the EUT to augment existing energy management and information systems in buildings where GSA Link is deployed and provides a pathway for delivering FDD at other buildings throughout the portfolio.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

IDAES-PSE 2.3.0 Release

The Institute for the Design of Advanced Energy Systems (IDAES) Integrated Platform is a versatile computational environment offering extensive process systems engineering (PSE) capabilities for optimizing the design and operation of complex, interacting technologies and systems. IDAES enables users to efficiently search vast, complex design spaces to discover the lowest cost, most environmentally sustainable solutions while supporting the full process modeling lifecycle, from conceptual design to dynamic optimization and control. The extensible, open platform empowers users to create models of novel processes and rapidly develop custom analyses, workflows, and end-user applications.. New Features and Models • New diagnostics toolboxes and examples o Tutorial for using the DiagnosticsToolbox o Methods to identify potential evaluation errors in models o SVDToolbox for performing singular value decomposition analysis on models to identify possible degeneracies and poor scaling o DegeneracyHunter for identifying irreducible degenerate sets in models • Model for solid-liquid separation which takes two inputs (solid and liquid streams) and produces three outlets (solids, liquid entrained with solids and pure liquid) • Example of temperature swing adsorption in models_extra Deprecation Warnings • With the update to Pyomo 6.7.0, the plate heat exchanger model has begun failing tests on some CI platforms. If this is not addressed by the February release, this model may be removed due to failing tests. See #1294. Offers to help identify the cause and fix this issue are welcome. Improvements and bug fixes • Fixed oversight which precluded using Mixer and Separator models when inherent reactions were present in property package • Added reporting methods to the MSContactor model • Minor corrections in some examples where values were being fixed outside of declared variable bounds

DiagnosticsToolbox,IDAES,PSE,Process Systems Engin↗

Field Validation of a Grid-Interactive Efficient Building Software Solution

The U.S. General Services Administration's (GSA's) Green Proving Ground (GPG) program, in partnership with the National Laboratory of the Rockies (NLR), completed a field study of a Grid-Interactive Efficient Buildings (GEB) software solution. The study focused on a single testbed facility to test the GEB functionality of the software solution, along with other features. The testbed facility - a courthouse - is a common building type in GSA's vast building portfolio, offering potentially impactful findings on a scalable level. The study evaluated Prescriptive Data's technology, Nantum OS, a connected building operating system ("GEB Solution") which aggregates multiple sources of previously siloed building data and combines that data with external sources, such as weather information or utility signals, into a single integrated platform. A GEB Solution is a type of Energy Management Information System (EMIS). EMIS is defined as a system of devices, data services, and software applications that communicates with any building system or third-party data source to aggregate and transform data into new capabilities to aid in the optimization of energy use at the building, campus, or agency level. This specific GEB Solution is an EMIS with ASO, automated system optimization, offering supervisory control of certain aspects of the Building Automation System (BAS). Multiple features were evaluated including, but not limited to, Continuous Demand Management to avoid setting new monthly kilowatt (kW) peaks, energy efficiency for reduction of kilowatt hours (kWh) and natural gas consumption, and automated demand response (ADR) for purposes of lowering demand during a utility called Demand Response (DR) event. The testbed facility was the Foley Federal Building and US Courthouse ("Foley Federal Building") located in Las Vegas, NV. This is a 209,496 sq. ft. building constructed in the 1960s with major renovations in 2004. The facility was a good candidate due to the large prevalence of office and courthouse spaces in the GSA portfolio of buildings. It also has many features which allow integration into and control of the building and a strong facilities team to assist with the study. Quantitative and qualitative performance objectives were developed using GSA's GPG GEB project template along with input from the vendor and building facility staff; these are outlined in Table 1. The quantitative performance objectives focused on continuous demand management, energy efficiency, and automated demand response. The qualitative performance objectives focused on the ease of installation and commissioning as well as the operability of the GEB solution. Other performance metrics that are reported on include carbon reduction, cost effectiveness, and occupant acceptance.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Investigating the impacts of solid phase extraction on dissolved organic matter optical signatures and the pairing with high‐resolution mass spectrometry data across a freshwater stream network

Abstract Advancing our understanding of dissolved organic matter (DOM) chemistry in aquatic systems necessitates the integration of data streams from multiple analytical platforms. Some measurements require pretreatment with solid phase extraction (SPE), while others are performed directly on whole water samples. Evidence has suggested that SPE will be biased against select DOM fractions, leading to concerns over the ability to establish data linkages across platforms with variable needs for SPE pretreatment, such as those from optical measurements and those that provide high‐resolution molecular information. Here, we directly addressed this concern by assessing the impact of SPE on DOM optical properties through excitation–emission matrices with parallel factor analysis (PARAFAC) for 47 samples across a stream network within a single watershed reflective of variable DOM sources. PARAFAC data was further paired with molecular information obtained by Fourier transform ion cyclotron resonance mass spectrometry (FTICR‐MS). A comparison of PARAFAC models first revealed no systematic qualitative differences in major components between whole water DOM and DOM isolated by SPE (SPE‐DOM); however, quantitative biases against select components were observed. Further linkages with FTICR‐MS data revealed that the molecular fingerprint associated with each PARAFAC component was consistent between the whole water DOM and SPE‐DOM. Our results suggest that bulk scale linkages across these analytical platforms could be inferred irrespective of the observed quantitative biases resulting from SPE for samples within this example watershed. This work represents a key step toward the systematic evaluation of linkages between optical and high‐resolution mass spectrometry datasets in freshwater lotic environments.

59 BASIC BIOLOGICAL SCIENCES↗

First Plant Cell Atlas symposium report

The Plant Cell Atlas (PCA) community hosted a virtual symposium on December 9 and 10, 2021 on single cell and spatial omics technologies. The conference gathered almost 500 academic, industry, and government leaders to identify the needs and directions of the PCA community and to explore how establishing a data synthesis center would address these needs and accelerate progress. This report details the presentations and discussions focused on the possibility of a data synthesis center for a PCA and the expected impacts of such a center on advancing science and technology globally. Community discussions focused on topics such as data analysis tools and annotation standards; computational expertise and cyber-infrastructure; modes of community organization and engagement; methods for ensuring a broad reach in the PCA community; recruitment, training, and nurturing of new talent; and the overall impact of the PCA initiative. These targeted discussions facilitated dialogue among the participants to gauge whether PCA might be a vehicle for formulating a data synthesis center. The conversations also explored how online tools can be leveraged to help broaden the reach of the PCA (i.e., online contests, virtual networking, and social media stakeholder engagement) and decrease costs of conducting research (e.g., virtual REU opportunities). Major recommendations for the future of the PCA included establishing standards, creating dashboards for easy and intuitive access to data, and engaging with a broad community of stakeholders. The discussions also identified the following as being essential to the PCA's success: identifying homologous cell-type markers and their biocuration, publishing datasets and computational pipelines, utilizing online tools for communication (such as Slack), and user-friendly data visualization and data sharing. In conclusion, the development of a data synthesis center will help the PCA community achieve these goals by providing a centralized repository for existing and new data, a platform for sharing tools, and new analytical approaches through collaborative, multidisciplinary efforts. A data synthesis center will help the PCA reach milestones, such as community-supported data evaluation metrics, accelerating plant research necessary for human and environmental health.

59 BASIC BIOLOGICAL SCIENCES↗