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At least 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Status and plans for measurements of Neutrino-Argon interactions at ICARUS

The ICARUS experiment, utilizing Liquid Argon Time Projection Chamber (LAr TPC) technology, has been installed at Fermilab (USA), following its initial operation in Italy and subsequent refurbishment at CERN. ICARUS has successfully been taking physics data at Fermilab since June 2022. While the experiment’s primary objective is to function as the far detector of the Short Baseline Neutrino program (SBN), searching for hints of physics beyond three-flavour PMNS neutrino oscillations, ICARUS also offers other diverse physics capabilities, including searches beyond the standard model and measurements of cross-sections. In addition to being exposed to the common Booster Neutrino (BNB) beamline of the SBN experiment, ICARUS receives neutrinos from the Main Injector (NuMI) beam. Due to the off-axis angle between NuMI and ICARUS, coupled with contributions from both pion and kaon decays to neutrino fluxes, interactions of NuMI neutrinos within ICARUS can be detected over a range of several GeV in energy. Measurements of these interactions present unique opportunities to infer neutrino interaction cross sections on an argon nuclear target within an energy range that overlaps both the SBN oscillation search and a significant portion of the DUNE spectrum. This presentation will summarise the current status of ICARUS’ neutrino cross-section measurements.

Roy, Promita [Fermilab] (ORCID:0000000164958937)↗
DOE OSTI2020

Neutrino interaction physics and the DUNE Near Detector

DUNE is a long-baseline neutrino oscillation experiment that will take data in a wideband neutrino beam at Fermilab, starting in the latter half of the 2020s. The experiment is planning to build a very capable near detector to facilitate the high precision extraction of oscillation parameters. Part of the mission of the near detector is to acquire powerful data sets that can be used to constrain the fits used in the oscillation analyses and improve the neutrino interaction model. In this talk, the importance and the potential of a vibrant program of neutrino interaction physics using this detector is described. A few case studies that illustrate the power of the DUNE near detector for studying neutrino interaction physics are described.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Eigenstate entanglement scaling for critical interacting spin chains

With increasing subsystem size and energy, bipartite entanglement entropies of energy eigenstates cross over from the groundstate scaling to a volume law. In previous work, we pointed out that, when strong or weak eigenstate thermalization (ETH) applies, the entanglement entropies of all or, respectively, almost all eigenstates follow a single crossover function. The crossover functions are determined by the subsystem entropy of thermal states and assume universal scaling forms in quantum-critical regimes. This was demonstrated by field-theoretical arguments and the analysis of large systems of non-interacting fermions and bosons. Here, we substantiate such scaling properties for integrable and non-integrable interacting spin-1/2 chains at criticality using exact diagonalization. In particular, we analyze XXZ and transverse-field Ising models with and without next-nearest-neighbor interactions. Indeed, the crossover of thermal subsystem entropies can be described by a universal scaling function following from conformal field theory. Furthermore, we analyze the validity of ETH for entanglement in these models. Even for the relatively small system sizes that can be simulated, the distributions of eigenstate entanglement entropies are sharply peaked around the subsystem entropies of the corresponding thermal ensembles.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Hybridized Methods for Quantum Simulation in the Interaction Picture

Conventional methods of quantum simulation involve trade-offs that limit their applicability to specific contexts where their use is optimal. In particular, the interaction picture simulation has been found to provide substantial asymptotic advantages for some Hamiltonians, but incurs prohibitive constant factors and is incompatible with methods like qubitization. We provide a framework that allows different simulation methods to be hybridized and thereby improve performance for interaction picture simulations over known algorithms. These approaches show asymptotic improvements over the individual methods that comprise them and further make interaction picture simulation methods practical in the near term. Physical applications of these hybridized methods yield a gate complexity scaling as log 2 ⁡ Λ in the electric cutoff Λ for the Schwinger Model and independent of the electron density for collective neutrino oscillations, outperforming the scaling for all current algorithms with these parameters. For the general problem of Hamiltonian simulation subject to dynamical constraints, these methods yield a query complexity independent of the penalty parameter λ used to impose an energy cost on time-evolution into an unphysical subspace.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Synergistic interactions between anammox and dissimilatory nitrate reducing bacteria sustains reactor performance across variable nitrogen loading ratios

Anaerobic ammonium oxidizing (anammox) bacteria are utilized for high efficiency nitrogen removal from nitrogen-laden sidestreams in wastewater treatment plants. The anammox bacteria form a variety of competitive and mutualistic interactions with heterotrophic bacteria that often employ denitrification or dissimilatory nitrate reduction to ammonium (DNRA) for energy generation. These interactions can be heavily influenced by the influent ratio of ammonium to nitrite, NH 4 + :NO 2 - , where deviations from the widely acknowledged stoichiometric ratio (1:1.32) have been demonstrated to have deleterious effects on anammox efficiency. Thus, it is important to understand how variable NH 4 + :NO 2 - ratios impact the microbial ecology of anammox reactors. We observed the response of the microbial community in a lab scale anammox membrane bioreactor (MBR) to changes in the influent NH 4 + :NO 2 - ratio using both 16S rRNA gene and shotgun metagenomic sequencing. Ammonium removal efficiency decreased from 99.77 ± 0.04% when the ratio was 1:1.32 (prior to day 89) to 90.85 ± 0.29% when the ratio was decreased to 1:1.1 (day 89–202) and 90.14 ± 0.09% when the ratio was changed to 1:1.13 (day 169–200). Over this same timespan, the overall nitrogen removal efficiency (NRE) remained relatively unchanged (85.26 ± 0.01% from day 0–89, compared to 85.49 ± 0.01% from day 89–169, and 83.04 ± 0.01% from day 169–200). When the ratio was slightly increased to 1:1.17–1:1.2 (day 202–253), the ammonium removal efficiency increased to 97.28 ± 0.45% and the NRE increased to 88.21 ± 0.01%. Analysis of 16S rRNA gene sequences demonstrated increased relative abundance of taxa belonging to Bacteroidetes, Chloroflexi, and Ignavibacteriae over the course of the experiment. The relative abundance of Planctomycetes, the phylum to which anammox bacteria belong, decreased from 77.19% at the beginning of the experiment to 12.24% by the end of the experiment. Analysis of metagenome assembled genomes (MAGs) indicated increased abundance of bacteria with nrfAH genes used for DNRA after the introduction of lower influent NH 4 + :NO 2 - ratios. The high relative abundance of DNRA bacteria coinciding with sustained bioreactor performance indicates a mutualistic relationship between the anammox and DNRA bacteria. Understanding these interactions could support more robust bioreactor operation at variable nitrogen loading ratios.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Components of aircraft life support systems interact with each other and the user

The life support system in a tactical aircraft provides necessary supplemental oxygen to the aircrew. However, interactions among its various components may generate unexpected breathing loads. We focus here on the interactions between a regulator and breathing mask commonly used together in the U.S. Navy, the CRU-103 regulator and MBU 23/P mask, and some effects of the interactions on the user. The data reported were collected during a larger research effort examining potential physiological and cognitive effects of low regulator inlet pressures. Seventeen participants completed a series of tasks under mild exercise while breathing 40% O 2 (balance N 2 ) from an MBU-23/P mask supplied by a CRU-103 regulator with supply pressures 10, 6, 4, and 2 psig (CRU-103 specifications are for inlet pressures from 5 to 120 psig). Variables measured included flow to the mask and pressures at the regulator supply, in the hose to the mask, and in the mask. In addition to restricting inspiratory flow, low inlet pressure to the CRU-103 caused a counterintuitive overshoot in gas delivery pressure at end-inspiration, a mean increase of 1.5 cm H 2 O between the 10- and 2 psig conditions. The added pressure to the exhalation valve increased the expiratory threshold, the pressure to start expiratory flow, by approximately 2 cm H 2 O, increasing the effort needed to exhale.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Star-exoplanet interactions: A growing interdisciplinary field in heliophysics

Traditionally, heliophysics is characterized as the study of the near-Earth space environment, where plasmas and neutral gases originating from the Earth, the Sun, and other solar system bodies interact in ways that are detectable only through in-situ or close-range (usually within ~10 AU) remote sensing. As a result, heliophysics has data from the space environment around a handful of solar system objects, in particular the Sun and Earth. Comparatively, astrophysics has data from an extensive array of objects, but is more limited in temporal, spatial, and wavelength information from any individual object. Thus, our understanding of planetary space environments as a complex, multi-dimensional network of specific interacting systems may in the past have seemed to have little to do with the highly diverse space environments detected through astrophysical methods. Recent technological advances have begun to bridge this divide. Exoplanetary studies are opening up avenues to study planetary environments beyond our solar system, with missions like Kepler, TESS, and JWST, along with increasing capabilities of ground-based observations. At the same time, heliophysics studies are pushing beyond the boundaries of our heliosphere with Voyager, IBEX, and the future IMAP mission. The interdisciplinary field of star-exoplanet interactions is a critical, growing area of study that enriches heliophysics. A multidisciplinary approach to heliophysics enables us to better understand universal processes that operate in diverse environments, as well as the evolution of our solar system and extreme space weather. The expertise, data, theory, and modeling tools developed by heliophysicists are crucial in understanding the space environments of exoplanets, their host stars, and their potential habitability. The mutual benefit that heliophysics and exoplanetary studies offer each other depends on strong, continuing solar system-focused and Earth-focused heliophysics studies. The heliophysics discipline requires new targeted funding to support inter-divisional opportunities, including small multi-disciplinary research projects, large collaborative research teams, and observations targeting the heliophysics of planetary and exoplanet systems. Here we discuss areas of heliophysics-relevant exoplanetary research, observational opportunities and challenges, and ways to promote the inclusion of heliophysics within the wider exoplanetary community.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Transient Unfolding and Long-Range Interactions in Viral BCL2 M11 Enable Binding to the BECN1 BH3 Domain

Viral BCL2 proteins (vBCL2s) help to sustain chronic infection of host proteins to inhibit apoptosis and autophagy. However, details of conformational changes in vBCL2s that enable binding to BH3Ds remain unknown. Using all-atom, multiple microsecond-long molecular dynamic simulations (totaling 17 μs) of the murine γ-herpesvirus 68 vBCL2 (M11), and statistical inference techniques, we show that regions of M11 transiently unfold and refold upon binding of the BH3D. Further, we show that this partial unfolding/refolding within M11 is mediated by a network of hydrophobic interactions, which includes residues that are 10 Å away from the BH3D binding cleft. We experimentally validate the role of these hydrophobic interactions by quantifying the impact of mutating these residues on binding to the Beclin1/BECN1 BH3D, demonstrating that these mutations adversely affect both protein stability and binding. To our knowledge, this is the first study detailing the binding-associated conformational changes and presence of long-range interactions within vBCL2s.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Pointer States and Quantum Darwinism with Two-Body Interactions

Quantum Darwinism explains the emergence of classical objectivity within a quantum universe. However, to date, most research on quantum Darwinism has focused on specific models and their stationary properties. To further our understanding of the quantum-to-classical transition, it appears desirable to identify the general criteria a Hamiltonian has to fulfill to support classical reality. To this end, we categorize all N-qubit models with two-body interactions, and show that only those with separable interaction of the system and environment can support a pointer basis. We further demonstrate that “perfect” quantum Darwinism can only emerge if there are no intra-environmental interactions. Our analysis is complemented by solving the ensuing dynamics. We find that in systems exhibiting information scrambling, the dynamical emergence of classical objectivity directly competes with the non-local spread of quantum correlations. Our rigorous findings are illustrated through the numerical analysis of four representative models.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

In Silico Insights into Protein–Protein Interaction Disruptive Mutations in the PCSK9-LDLR Complex

Gain-of-function mutations in PCSK9 (proprotein convertase subtilisin/kexin type 9) lead to reduced uptake of LDL (low density lipoprotein) cholesterol and, therefore, increased plasma LDL levels. However, the mechanism by which these mutants reduce LDL reuptake is not fully understood. Here, we have used molecular dynamics simulations, MM/PBSA (Molecular Mechanics/Poisson–Boltzmann Surface Area) binding affinity calculations, and residue interaction networks, to investigate the protein–protein interaction (PPI) disruptive effects of two of PCSK9's gain-of-function mutations, Ser127Arg and Asp374Tyr on the PCSK9 and LDL receptor complex. In addition to these PPI disruptive mutants, a third, non-interface mutation (Arg496Trp) is included as a positive control. Our results indicate that Ser127Arg and Asp374Tyr confer significantly improved binding affinity, as well as different binding modes, when compared to the wild-type. These PPI disruptive mutations lie between the EGF(A) (epidermal growth factor precursor homology domain A) of the LDL receptor and the catalytic domain of PCSK9 (Asp374Tyr) and between the prodomain of PCSK9 and the β-propeller of the LDL receptor (Ser127Arg). The interactions involved in these two interfaces result in an LDL receptor that is sterically inhibited from entering its closed conformation. This could potentially implicate the prodomain as a target for small molecule inhibitors.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Non-TZF Protein AtC3H59/ZFWD3 Is Involved in Seed Germination, Seedling Development, and Seed Development, Interacting with PPPDE Family Protein Desi1 in Arabidopsis

Despite increasing reports on the function of CCCH zinc finger proteins in plant development and stress response, the functions and molecular aspects of many non-tandem CCCH zinc finger (non-TZF) proteins remain uncharacterized. AtC3H59/ZFWD3 is an Arabidopsis non-TZF protein and belongs to the ZFWD subfamily harboring a CCCH zinc finger motif and a WD40 domain. In this study, we characterized the biological and molecular functions of AtC3H59, which is subcellularly localized in the nucleus. The seeds of AtC3H59-overexpressing transgenic plants (OXs) germinated faster than those of wild type (WT), whereas atc3h59 mutant seeds germinated slower than WT seeds. AtC3H59 OX seedlings were larger and heavier than WT seedlings, whereas atc3h59 mutant seedlings were smaller and lighter than WT seedlings. Moreover, AtC3H59 OX seedlings had longer primary root length than WT seedlings, whereas atc3h59 mutant seedlings had shorter primary root length than WT seedlings, owing to altered cell division activity in the root meristem. During seed development, AtC3H59 OXs formed larger and heavier seeds than WT. Using yeast two-hybrid screening, we isolated Desi1, a PPPDE family protein, as an interacting partner of AtC3H59. AtC3H59 and Desi1 interacted via their WD40 domain and C-terminal region, respectively, in the nucleus. Taken together, our results indicate that AtC3H59 has pleiotropic effects on seed germination, seedling development, and seed development, and interacts with Desi1 in the nucleus via its entire WD40 domain. To our knowledge, this is the first report to describe the biological functions of the ZFWD protein and Desi1 in Arabidopsis.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

AI-Based Protein Interaction Screening and Identification (AISID)

In this study, we presented an AISID method extending AlphaFold-Multimer’s success in structure prediction towards identifying specific protein interactions with an optimized AISIDscore. The method was tested to identify the binding proteins in 18 human TNFSF (Tumor Necrosis Factor superfamily) members for each of 27 human TNFRSF (TNF receptor superfamily) members. For each TNFRSF member, we ranked the AISIDscore among the 18 TNFSF members. The correct pairing resulted in the highest AISIDscore for 13 out of 24 TNFRSF members which have known interactions with TNFSF members. Out of the 33 correct pairing between TNFSF and TNFRSF members, 28 pairs could be found in the top five (including 25 pairs in the top three) seats in the AISIDscore ranking. Surprisingly, the specific interactions between TNFSF10 (TNF-related apoptosis-inducing ligand, TRAIL) and its decoy receptors DcR1 and DcR2 gave the highest AISIDscore in the list, while the structures of DcR1 and DcR2 are unknown. The data strongly suggests that AlphaFold-Multimer might be a useful computational screening tool to find novel specific protein bindings. This AISID method may have broad applications in protein biochemistry, extending the application of AlphaFold far beyond structure predictions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Molecular Dynamic Studies of Dye–Dye and Dye–DNA Interactions Governing Excitonic Coupling in Squaraine Aggregates Templated by DNA Holliday Junctions

Dye molecules, arranged in an aggregate, can display excitonic delocalization. The use of DNA scaffolding to control aggregate configurations and delocalization is of research interest. Here, we applied Molecular Dynamics (MD) to gain an insight on how dye–DNA interactions affect excitonic coupling between two squaraine (SQ) dyes covalently attached to a DNA Holliday junction (HJ). We studied two types of dimer configurations, i.e., adjacent and transverse, which differed in points of dye covalent attachments to DNA. Three structurally different SQ dyes with similar hydrophobicity were chosen to investigate the sensitivity of excitonic coupling to dye placement. Each dimer configuration was initialized in parallel and antiparallel arrangements in the DNA HJ. The MD results, validated by experimental measurements, suggested that the adjacent dimer promotes stronger excitonic coupling and less dye–DNA interaction than the transverse dimer. Additionally, we found that SQ dyes with specific functional groups (i.e., substituents) facilitate a closer degree of aggregate packing via hydrophobic effects, leading to a stronger excitonic coupling. This work advances a fundamental understanding of the impacts of dye–DNA interactions on aggregate orientation and excitonic coupling.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

A Study of the Interaction, Morphology, and Structure in Trypsin-Epigallocatechin-3-Gallate Complexes

Understanding the interaction between proteins and polyphenols is of significance to food industries. The aim of this research was to investigate the mode of aggregation for trypsin-EGCG (Epigallocatechin-3-gallate) complexes. For this, the complex was characterized by fluorescence spectroscopy, circular dichroism (CD) spectra, small-angel X-ray scattering (SAXS), and atomic force microscope (AFM) techniques. The results showed that the fluorescence intensity of trypsin-EGCG complexes decreased with increasing the concentration of EGCG, indicating that the interaction between trypsin and EGCG resulted in changes in the microenvironment around fluorescent amino acid residues. The results of CD analysis showed conformational changes in trypsin after binding with EGCG. The results from SAXS analysis showed that the addition of EGCG results in the formation of aggregates of trypsin-EGCG complexes, and increasing the concentration of EGCG resulted in larger aggregates. AFM images showed that the trypsin-EGCG complex formed aggregates of irregular ellipsoidal shapes with the size of about 200 × 400 × 200 nm, with EGCG interconnecting the trypsin particles. Overall, according to these results, it was concluded that the large aggregates of trypsin-EGCG complexes are formed from several small aggregates that are interconnected. The results of this study shed some light on the interaction between digestive enzymes and EGCG.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Photonic Angular Momentum in Intense Light–Matter Interactions

Light contains both spin and orbital angular momentum. Despite contributing equally to the total photonic angular momentum, these components derive from quite different parts of the electromagnetic field profile, namely its polarization and spatial variation, respectively, and therefore do not always share equal influence in light–matter interactions. With the growing interest in utilizing light’s orbital angular momentum to practice added control in the study of atomic systems, it becomes increasingly important for students and researchers to understand the subtlety involved in these interactions. In this article, we present a review of the fundamental concepts and recent experiments related to the interaction of beams containing orbital angular momentum with atoms. An emphasis is placed on understanding light’s angular momentum from the perspective of both classical waves and individual photons. We then review the application of these beams in recent experiments, namely single- and few-photon transitions, strong-field ionization, and high-harmonic generation, highlighting the role of light’s orbital angular momentum and the atom’s location within the beam profile within each case.

Optics↗
DOE OSTI2023

Potential Constraints to Neutrino-Nucleus Interactions Based on Electron Scattering Data

A thorough understanding of neutrino-nucleus interactions physics is crucial to achieving precision goals in broader neutrino physics programs. The complexity of nuclei comprising the detectors and limited understanding of their weak response constitutes one of the biggest systematic uncertainties in neutrino experiments - both at intermediate energies affecting the short- and long-baseline neutrino programs as well as at lower energies affecting coherent scattering neutrino programs. While electron and neutrino interactions are different at the primary vertex, many underlying relevant physical processes in the nucleus are the same in both cases, and electron scattering data collected with precisely controlled kinematics, large statistics and high precision allows one to constrain nuclear properties and specific interaction processes. To this end, electron-nucleus scattering experiments provide vital complementary information to test, assess and validate different nuclear models and event generators intended to be used in neutrino experiments. In fact, for many decades, the study of electron scattering off a nucleus has been used as a tool to probe the properties of that nucleus and its electromagnetic response. While previously existing electron scattering data provide important information, new and proposed measurements are tied closely to what is required for the neutrino program in terms of expanding kinematic reach, the addition of relevant nuclei and information on the final states hadronic system.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

A Statistical Search for Star–Planet Interaction in the Ultraviolet Using GALEX

Most (∼82%) of the over 4000 confirmed exoplanets known today orbit very close to their host stars, within 0.5 au. Planets at such small orbital distances can result in significant interactions with their host stars, which can induce increased activity levels in them. In this work, we have searched for statistical evidence for star–planet interactions in the ultraviolet (UV) using the largest sample of 1355 Galaxy Evolution Explorer (GALEX) detected host stars with confirmed exoplanets and making use of the improved host-star parameters from Gaia DR2. From our analysis, we do not find any significant correlation between the UV activity of the host stars and their planetary properties. We further compared the UV properties of planet host stars to that of chromospherically active stars from the RAdial Velocity Experiment (RAVE) survey. Our results indicate that the enhancement in chromospheric activity of host stars due to star–planet interactions may not be significant enough to reflect in their near- and far-UV broadband flux.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

The Signatures of Self-interacting Dark Matter and Subhalo Disruption on Cluster Substructure

The abundance, distribution, and inner structure of satellites of galaxy clusters can be sensitive probes of the properties of dark matter. We run 30 cosmological zoom-in simulations with self-interacting dark matter (SIDM), with a velocity-dependent cross section, to study the properties of subhalos within cluster-mass hosts. We find that the abundance of subhalos that survive in the SIDM simulations are suppressed relative to their cold dark matter (CDM) counterparts. Once the population of disrupted subhalos—which may host orphan galaxies—is taken into account, satellite galaxy populations in CDM and SIDM models can be reconciled. However, even in this case, the inner structures of subhalos are significantly different in the two dark matter models. We study the feasibility of using the weak-lensing signal from the subhalo density profiles to distinguish between the cold and self-interacting dark matter while accounting for the potential contribution of orphan galaxies. We find that the effects of self-interactions on the density profile of subhalos can appear degenerate with subhalo disruption in CDM, when orphans are accounted for. With current error bars from the Subaru Hyper Suprime-Cam Strategic Program, we find that subhalos in the outskirts of clusters (where disruption is less prevalent) can be used to constrain dark matter physics. In the future, the Vera C. Rubin Observatory Legacy Survey of Space and Time will give precise measurements of the weak-lensing profile and can be used to constrain σ $_{T}$/m at the ∼1 cm$^{2}$ g$^{−1}$ level at v ∼ 2000 km s$^{−1}$.

79 ASTRONOMY AND ASTROPHYSICS↗