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DOE OSTI2023

Hybrid renewable energy systems: the value of storage as a function of PV-wind variability

As shares of variable renewable energy (VRE) on the electric grid increase, sources of grid flexibility will become increasingly important for maintaining the reliability and affordability of electricity supply. Lithium-ion battery energy storage has been identified as an important and cost-effective source of flexibility, both by itself and when coupled with VRE technologies like solar photovoltaics (PV) and wind. In this study, we explored the current and future value of utility-scale hybrid energy systems comprising PV, wind, and lithium-ion battery technologies (PV-wind-battery systems). Using a price-taker model with simulated hourly energy and capacity prices, we simulated the revenue-maximizing dispatch of a range of PV-wind-battery configurations across Texas, from the present through 2050. Holding PV capacity and point-of-interconnection capacity constant, we modeled configurations with varying wind-to-PV capacity ratios and battery-to-PV capacity ratios. We found that coupling PV, wind, and battery technologies allows for more effective utilization of interconnection capacity by increasing capacity factors to 60%–80%+ and capacity credits to close to 100%, depending on battery capacity. We also compared the energy and capacity values of PV-wind and PV-wind-battery systems to the corresponding stability coefficient metric, which describes the location-and configuration-specific complementarity of PV and wind resources. Our results show that the stability coefficient effectively predicts the configuration-location combinations in which a smaller battery component can provide comparable economic performance in a PV-wind-battery system (compared to a PV-battery system). These PV-wind-battery hybrids can help integrate more VRE by providing smoother, more predictable generation and greater flexibility.

14 SOLAR ENERGY↗

DOE OSTI2022

Structure and Fc-Effector Function of Rhesusized Variants of Human Anti-HIV-1 IgG1s

Passive transfer of monoclonal antibodies (mAbs) of human origin into Non-Human Primates (NHPs), especially those which function predominantly by a Fc-effector mechanism, requires an a priori preparation step, in which the human mAb is reengineered to an equivalent NHP IgG subclass. This can be achieved by changing both the Fc and Fab sequence while simultaneously maintaining the epitope specificity of the parent antibody. This Ab reengineering process, referred to as rhesusization, can be challenging because the simple grafting of the complementarity determining regions (CDRs) into an NHP IgG subclass may impact the functionality of the mAb. Here we describe the successful rhesusization of a set of human mAbs targeting HIV-1 envelope (Env) epitopes involved in potent Fc-effector function against the virus. This set includes a mAb targeting a linear gp120 V1V2 epitope isolated from a RV144 vaccinee, a gp120 conformational epitope within the Cluster A region isolated from a RV305 vaccinated individual, and a linear gp41 epitope within the immunodominant Cys-loop region commonly targeted by most HIV-1 infected individuals. Structural analyses confirm that the rhesusized variants bind their respective Env antigens with almost identical specificity preserving epitope footprints and most antigen-Fab atomic contacts with constant regions folded as in control RM IgG1s. In addition, functional analyses confirm preservation of the Fc effector function of the rhesusized mAbs including the ability to mediate Antibody Dependent Cell-mediated Cytotoxicity (ADCC) and antibody dependent cellular phagocytosis by monocytes (ADCP) and neutrophils (ADNP) with potencies comparable to native macaque antibodies of similar specificity. While the antibodies chosen here are relevant for the examination of the correlates of protection in HIV-1 vaccine trials, the methods used are generally applicable to antibodies for other purposes.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2023

The molecular basis of the neutralization breadth of the RBD-specific antibody CoV11

SARS-CoV-2, the virus behind the COVID-19 pandemic, has changed over time to the extent that the current virus is substantially different from what originally led to the pandemic in 2019–2020. Viral variants have modified the severity and transmissibility of the disease and continue do so. How much of this change is due to viral fitness versus a response to immune pressure is hard to define. One class of antibodies that continues to afford some level of protection from emerging variants are those that closely overlap the binding site for angiotensin-converting enzyme 2 (ACE2) on the receptor binding domain (RBD). Some members of this class that were identified early in the course of the pandemic arose from the VH 3-53 germline gene (IGHV3-53*01) and had short heavy chain complementarity-determining region 3s (CDR H3s). Here, we describe the molecular basis of the SARS-CoV-2 RBD recognition by the anti-RBD monoclonal antibody CoV11 isolated early in the COVID-19 pandemic and show how its unique mode of binding the RBD determines its neutralization breadth. CoV11 utilizes a heavy chain VH 3-53 and a light chain VK 3-20 germline sequence to bind to the RBD. Two of CoV11’s four heavy chain changes from the VH 3-53 germline sequence, $Thr^{28}_{FWRH1}$ to Ile and $Ser^{31}_{CDRH1}$ to Arg, and some unique features in its CDR H3 increase its affinity to the RBD, while the four light chain changes from the VK 3-20 germline sequence sit outside of the RBD binding site. Antibodies of this type can retain significant affinity and neutralization potency against variants of concern (VOCs) that have diverged significantly from original virus lineage such as the prevalent omicron variant. We also discuss the mechanism by which VH 3-53 encoded antibodies recognize spike antigen and show how minimal changes to their sequence, their choice of light chain, and their mode of binding influence their affinity and impact their neutralization breadth.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2026

Discovering novel therapeutic V H Hs for emerging viruses: perspectives from VEEV selection strategies

Introduction: Evolution or emergence of a new viral variant is a significant public health concern. Alphaviruses, such as Venezuelan equine encephalitis virus (VEEV), are mosquito-borne viruses which are becoming more prevalent due to expansion of vector habitats. Despite this, there are currently no antiviral therapies or FDA-approved vaccines available to treat or prevent VEEV infection. The increased prevalence of such viruses provides opportunities for novel variants to evolve. Key therapeutic molecules that could be developed against viral pathogens are recombinant antibodies or antibody fragments, such as the variable heavy domain of heavy chain antibodies (V H Hs). Methods: In vitro selections offer a promising pathway for identification of therapeutic antibodies, here we explored isolation of V H Hs using phage and yeast display methodology with three antigen formats 1) recombinant E2, 2) linear peptides of E2, selected based on molecular dynamics analysis, and 3) UV inactivated virus. Results: Here we report four novel “human” V H Hs which bind to the VEEV E2 protein selected using different strategies that include both computational and biochemical design of suitable antigens and whole virus selections. These V H Hs have distinct complementarity-determining regions (CDRs). Multiple VHHs bind to the VEEV viral particles in ELISAs, and we report the peptide epitope recognized by these V H Hs. Discussion: Though non-neutralizing, these V H Hs bind to and sequester VEEV viral particles preventing infection, demonstrating the potential of these V H Hs to perform viral “sponging” which represents a novel therapeutic approach. The selection strategies we report may have applications to further antibody developments against other viruses.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Continuous multimodal technologies in industrial microbiology: potential for achieving high process performance and agility

The field of industrial microbiology has great potential to tackle the most pressing challenges facing society, but today, this entails much more than classical fermentation technology followed by product upgrading. Methods are needed to confer unit-operation-level functionality and whole-system-level robustness, as well as flexibility. As examples of this concept, we focus here on methodologies often deployed at industrial scale as discrete processes—such as biological, chemical, and electrochemical unit operations—that are also capable of substantial complementarity when combined sequentially and operated continuously. A key and relatively new type of conversion step is made possible by catalyst immobilization methods at both the enzymatic and cellular level. Cases drawn from electro-fermentation for acetoin production and syngas-mediated microbial electrosynthesis of ethanol exemplify the synergy of combined operational approaches. Because modular processes can be treated as a series of reactor elements, considerable flexibility is possible. As discussed, however, not all processes are amenable to this intensification.

09 BIOMASS FUELS↗

DOE OSTI2020

Impacts of Arctic Shrubs on Root Traits and Belowground Nutrient Cycles Across a Northern Alaskan Climate Gradient

Deciduous shrubs are expanding across the graminoid-dominated nutrient-poor arctic tundra. Absorptive root traits of shrubs are key determinants of nutrient acquisition strategy from tundra soils, but the variations of shrub root traits within and among common shrub genera across the arctic climatic gradient are not well resolved. Consequently, the impacts of arctic shrub expansion on belowground nutrient cycling remain largely unclear. Here, we collected roots from 170 plots of three commonly distributed shrub genera ( Alnus , Betula , and Salix ) and a widespread sedge ( Eriophorum vaginatum ) along a climatic gradient in northern Alaska. Absorptive root traits that are relevant to the strategy of plant nutrient acquisition were determined. The influence of aboveground dominant vegetation cover on the standing root biomass, root productivity, vertical rooting profile, as well as the soil nitrogen (N) pool in the active soil layer was examined. We found consistent root trait variation among arctic plant genera along the sampling transect. Alnus and Betula had relatively thicker and less branched, but more frequently ectomycorrhizal colonized absorptive roots than Salix , suggesting complementarity between root efficiency and ectomycorrhizal dependence among the co-existing shrubs. Shrub-dominated plots tended to have more productive absorptive roots than sedge-dominated plots. At the northern sites, deep absorptive roots (>20 cm depth) were more frequent in birch-dominated plots. We also found shrub roots extensively proliferated into the adjacent sedge-dominated plots. The soil N pool in the active layer generally decreased from south to north but did not vary among plots dominated by different shrub or sedge genera. Our results reveal diverse nutrient acquisition strategies and belowground impacts among different arctic shrubs, suggesting that further identifying the specific shrub genera in the tundra landscape will ultimately provide better predictions of belowground dynamics across the changing arctic.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Structures of HIV-1 Neutralizing Antibody 10E8 Delineate the Mechanistic Basis of Its Multi-Peak Behavior on Size-Exclusion Chromatography

Antibody 10E8 is capable of effectively neutralizing HIV through its recognition of the membrane-proximal external region (MPER), and a suitably optimized version of 10E8 might have utility in HIV therapy and prophylaxis. However, 10E8 displays a three-peak profile on size-exclusion chromatography (SEC), complicating its manufacture. Here we show cis-trans conformational isomerization of the Tyr-Pro-Pro (YPP) motif in the heavy chain 3rd complementarity-determining region (CDR H3) of antibody 10E8 to be the mechanistic basis of its multipeak behavior. We observed 10E8 to undergo slow conformational isomerization and delineate a mechanistic explanation for effective comodifiers that were able to resolve its SEC heterogeneity and to allow an evaluation of the critical quality attribute of aggregation. We determined crystal structures of single and double alanine mutants of a key di-proline motif and of a light chain variant, revealing alternative conformations of the CDR H3. We also replicated both multi-peak and delayed SEC behavior with MPER-antibodies 4E10 and VRC42, by introducing a Tyr-Pro (YP) motif into their CDR H3s. Our results show how a conformationally dynamic CDR H3 can provide the requisite structural plasticity needed for a highly hydrophobic paratope to recognize its membrane-proximal epitope.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2024

The Advantages of Combining Morphological and Molecular Methods to Characterise Zooplankton Communities: A Case Study of the UNESCO Biosphere Reserve of the Berlengas Archipelago, Portugal

Understanding the ecological dynamics of zooplankton communities is crucial to precisely assessing the health of marine ecosystems and their management. Metabarcoding has contributed to a better understanding of biodiversity in marine environments. However, this methodology still requires protocol optimisation. Here, we used a complementary approach combining molecular and morphological identification methods to identify the zooplankton community inhabiting the Berlengas Archipelago, Portugal. The presence of non-indigenous species was also assessed. The results showed that the metabarcoding approach outperformed the classical morphological identification method, detecting more species with higher resolution. Nevertheless, the classical method was able to identify species that were not detected by the molecular approaches, probably due to a lack of reference data in the databases. The comparison between different molecular approaches showed that COI and bulk DNA gave better results than 18S rRNA and eDNA by detecting higher species diversity. However, complementarities were observed between them. Molecular tools also proved effective in identifying several potential non-indigenous species, identifying, for the first time, several potentially unreported NIS inhabiting the Portuguese marine ecosystems. Overall, our results confirmed the importance of combining both classical and molecular methods to obtain a more refined assessment of the zooplanktonic communities in marine environments.

Simões, Marco (ORCID:0000000179957304)↗

DOE OSTI2024

Review of searches for vector-like quarks, vector-like leptons, and heavy neutral leptons in proton-proton collisions at $\sqrt{s}$ = 13 TeV at the CMS experiment

The LHC has provided an unprecedented amount of proton-proton collision data, bringing forth exciting opportunities to address fundamental open questions in particle physics. These questions can potentially be answered by performing searches for very rare processes predicted by models that attempt to extend the standard model of particle physics. The data collected by the CMS experiment in 2015-2018 at a center-of-mass energy of 13 TeV can be used to test the standard model with high precision and potentially uncover evidence for new particles or interactions. An interesting possibility is the existence of new fermions with masses ranging from the MeV to the TeV scale. Such new particles appear in many possible extensions of the standard model and are well motivated theoretically. New fermions may explain the appearance of three generations of leptons and quarks, the mass hierarchy across the generations, and the nonzero neutrino masses. In this report, the results of searches targeting vector-like quarks, vector-like leptons, and heavy neutral leptons at the CMS experiment are summarized. The complementarity of current searches for each type of new fermion is discussed, and combinations of several searches for vector-like quarks are presented. The discovery potential for some of these searches at the High-Luminosity LHC is also discussed.

FOS: Physical sciences↗

DOE OSTI2025

Constraining non-standard neutrino interactions with neutral current events at long-baseline oscillation experiments

We explore, for the first time, neutral-current events at long-baseline experiments to constrain vector and axial-vector neutrino non-standard interactions (NSI) with quarks. We leverage the flavor dependence of NSIs to perform an oscillation analysis in the neutral- current channel. We first introduce a framework to parametrize the effect of NSI on the cross section. Then, as an example, we analyze NOvA neutral-current data which provides significantly improved constraints on the axial-vector NSI parameters $ {\varepsilon}_{\mu \mu}^A $,$ {\varepsilon}_{\tau \tau}^A $ and $ {\varepsilon}_{e\mu}^A $. This is highly complementary to constraints from SNO data, which, differently from long-baseline neutral current data, is not sensitive to isospin conserving NSIs $ {\varepsilon}_u^A $ = $ {\varepsilon}_d^A $. Additionally, we disfavor large values of the diagonal vectorial NSI $ {\varepsilon}_{\mu \mu}^{VV} $ and $ {\varepsilon}_{\tau \tau}^V $ which originate from the LMA-Dark solution. We also highlight the complementarity between NSI searches at oscillation experiments using charged current and neutral current channels.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Aβ [Eβ] in 37K decay: new physics with opposite β helicity

By extending our analysis and simulations of our K -decay data set to allow the asymmetry with respect to nuclear spin to vary with energy , we have gained sensitivity to new physics that depends on a helicity factor for the , . In particular, we constrain Lorentz scalar and tensor quark-lepton interaction strengths at a sensitivity complementary to the similar Fierz interference term in neutron decay. Our result for that new physics is = 0.033 0.084 (stat) 0.039 (syst), consistent with the standard model electroweak interaction value . We consider presently achieved complementarity to -decay and particle physics experiments, along with projectable technical improvements to our method.

Behr, J. A.↗

DOE OSTI2025

Measurement report: Vertically resolved atmospheric properties observed over the Southern Great Plains with the ArcticShark uncrewed aerial system

Abstract. This study presents the unique capability of the Department of Energy (DOE) ArcticShark – a mid-size fixed-wing uncrewed aerial system (UAS) – for measuring vertically resolved atmospheric properties over the Southern Great Plains (SGP) of the United States. Focusing on atmospheric states, such as ambient temperature, wind, and aerosol properties, we overview measurements from 32 research flights (∼ 97 flight hours) in 2023. The August operations, aided by a visual observer on a chase plane, allowed for extensive UAS coverage, surpassing typical UAS operation envelopes. Our data from March, June, and August 2023 reveal distinctive seasonal patterns within the atmospheric column through unique chemical composition measurements. In situ measurements combined with remote sensing retrievals and radiosonde measurements provided valuable insights into their consistency and complementarity. Furthermore, we demonstrate the capabilities of the ArcticShark through several case studies, including the analyses of correlations between UAS-derived atmospheric profiles and conventional radiosonde measurements, as well as the derivation of vertically resolved profiles of aerosol chemical, optical, and microphysical properties. These case studies highlight the versatility of the ArcticShark UAS as a powerful tool for comprehensive atmospheric research, effectively bridging data gaps and enhancing our understanding of vertical atmospheric structures in the region.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Assimilation of multiple datasets results in large differences in regional- to global-scale NEE and GPP budgets simulated by a terrestrial biosphere model

In spite of the importance of land ecosystems in offsetting carbon dioxide emissions released by anthropogenic activities into the atmosphere, the spatiotemporal dynamics of terrestrial carbon fluxes remain largely uncertain at regional to global scales. Over the past decade, data assimilation (DA) techniques have grown in importance for improving these fluxes simulated by terrestrial biosphere models (TBMs), by optimizing model parameter values while also pinpointing possible parameterization deficiencies. Although the joint assimilation of multiple data streams is expected to constrain a wider range of model processes, their actual benefits in terms of reduction in model uncertainty are still under-researched, also given the technical challenges. In this study, we investigated with a consistent DA framework and the ORCHIDEE-LMDz TBM–atmosphere model how the assimilation of different combinations of data streams may result in different regional to global carbon budgets. To do so, we performed comprehensive DA experiments where three datasets (in situ measurements of net carbon exchange and latent heat fluxes, spaceborne estimates of the normalized difference vegetation index, and atmospheric CO 2 concentration data measured at stations) were assimilated alone or simultaneously. We thus evaluated their complementarity and usefulness to constrain net and gross C land fluxes. We found that a major challenge in improving the spatial distribution of the land C sinks and sources with atmospheric CO 2 data relates to the correction of the soil carbon imbalance.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Simple biochemical features underlie transcriptional activation domain diversity and dynamic, fuzzy binding to Mediator

Gene activator proteins comprise distinct DNA-binding and transcriptional activation domains (ADs). Because few ADs have been described, we tested domains tiling all yeast transcription factors for activation in vivo and identified 150 ADs. By mRNA display, we showed that 73% of ADs bound the Med15 subunit of Mediator, and that binding strength was correlated with activation. AD-Mediator interaction in vitro was unaffected by a large excess of free activator protein, pointing to a dynamic mechanism of interaction. Structural modeling showed that ADs interact with Med15 without shape complementarity (‘fuzzy’ binding). ADs shared no sequence motifs, but mutagenesis revealed biochemical and structural constraints. Finally, a neural network trained on AD sequences accurately predicted ADs in human proteins and in other yeast proteins, including chromosomal proteins and chromatin remodeling complexes. These findings solve the longstanding enigma of AD structure and function and provide a rationale for their role in biology.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2024

Search for New Physics with the Compact Muon Solenoid Experiment and QIS-enabled Technology

Understanding the fundamental nature of dark matter (DM)---its cosmological origin, constituents, and interactions---is one of the most important questions in fundamental science today. In this thesis, I present two novel and highly complementary approaches to cover the gaps in sensitivity of current DM searches. The searches are enabled by a first-of-its-kind reconstruction technique to search for hidden-sector particles using the Compact Muon Solenoid (CMS) and by new advances in quantum sensing technology to search for axions and hidden-sector DM. In the first part of this thesis, I present a search for long-lived hidden sector particles, predicted by many extensions of the SM, using a novel technique to reconstruct decays of long-lived particles (LLPs) in the CMS muon detector. The innovative LLP reconstruction technique is sensitive to a broad range of LLP decays and to LLP masses below GeV. The search yields competitive sensitivity for proper lifetime 0.1--1000 m with the full Run 2 dataset recorded at the LHC between 2016--2018 at $\sqrt{s} = 13~$TeV. To extend the physics reach of this novel muon detector shower (MDS) signature, I present the model-independence of MDS and the reinterpretation of the search to a large number of LLP models, demonstrating its complementarity with proposed and existing dedicated LLP experiments. Finally, I present a new dedicated MDS trigger that improves the trigger efficiency by at least an order of magnitude and was deployed in 2022, at the start of Run 3 of the LHC operations. In the second part of the thesis, I present for the first time, the use of a novel quantum sensor, the low-noise and single-photon sensitive superconducting nanowire single photon detectors (SNSPDs), to directly detect dark matter. The low detection threshold and ultra-low dark count rate of SNSPDs can close the gap in DM discovery reach due to the current limitations in detector sensitivity. I will present my work on the development and characterization of SNSPDs for two entirely new experiments to directly detect axions via absorption and hidden-sector DM via electron scattering. The search for axions employs a novel broadband reflector technique with the Broadband Reflector Experiment for Axion Detection (BREAD). A unique parabolic mirror is then used to focus axion-converted photons to the SNSPDs, extending the reach to axion masses of 0.04--1 eV. On the other hand, by coupling the SNSPDs with gallium arsenide, a bright cryogenic scintillator well matched to SNSPD detection, a prototype sensing system can be built as a basis of new direct DM detection experiments capable of extending the discovery to DM masses as low as 1 MeV.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

NASA NTRS1975

The Exploration Ethic: Its Historical-Intellectual Basis. Outlook for Space (1980 - 2000)

Principle components of the exploration ethic are discussed. Attempts were made to justify both the historical and intellectual aspects of the concept. It was noted that intellectual justification is strongly grounded on: (1) the complementarity of objective and normative inquiry as to method, and (2) interdisciplinary alliance of ethics of adaptive systems with contemporary decision sciences, as a theoretical basis. Historical exploration justification was associated with: (1) periods of civilization transition, (2) changes in the process of exploration which cause change in types of rationals used, sponsors involved, and explorers interest, and (3) the incorrectness of proven prior cost/benefit calculations.

Priscoli, J. D.↗

NASA NTRS1978

High resolution infrared spectroscopy: Some new approaches and applications to planetary atmospheres

The principles of spectral line formation and of techniques for retrieval of atmospheric temperature and constituent profiles are discussed. Applications to the atmospheres of Earth, Mars, Venus, and Jupiter are illustrated by results obtained with Fourier transform and infrared heterodyne spectrometers at resolving powers (lambda/delta hyperon lambda of approximately 10,000 and approximately 10 to the seventh power), respectively, showing the high complementarity of spectroscopy at these two widely different resolving powers. The principles of heterodyne spectroscopy are presented and its applications to atmospheric probing and to laboratory spectroscopy are discussed. Direct absorption spectroscopy with tuneable semiconductor lasers is discussed in terms of precision frequency-and line strength-measurements, showing substantial advances in laboratory infrared spectroscopy.

Mumma, M. J.↗

NASA NTRS1985

Blended SST fields combined SMMR/ship data (summary of technique)

All remote sensors have bias problems which vary in space and time. The infrared measurements are very sparse in cloudy areas: the SMMR has coverage limitations due to the interference of land areas and only half time operation. If one simply averaged the data from these various sources, the combination of the biases and varying sampling would introduce artifacts into the analyzed product which would reflect the sampling and which could be quite misleading. The remote sensors provide reasonable estimates of gradients of SST over length scales greater than the sensor resolution but smaller than hemispheric. Ships can be considered unbiased but are poorly distributed on small scales except in the densest shipping lanes. An analysis scheme based on a suggestion by Holl was developed which exploits just this approximately complementarity to provide an improved SST analysis. The resulting accuracy appears to be in the required approx. 0.5 C range for the particular case of using SMMR and ship data to produce two degree latitude by two degrees longitude monthly analyses.

Wilheit, T. T.↗