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At least 307 records · Page 17

Transformation based endorsement systems

Evidential reasoning techniques classically represent support for a hypothesis by a numeric value or an evidential interval. The combination of support is performed by an arithmetic rule which often requires restrictions to be placed on the set of possibilities. These assumptions usually require the hypotheses to be exhausitive and mutually exclusive. Endorsement based classification systems represent support for the alternatives symbolically rather than numerically. A framework for constructing endorsement systems is presented in which transformations are defined to generate and update the knowledge base. The interaction of the knowledge base and transformations produces a non-monotonic reasoning system. Two endorsement based reasoning systems are presented to demonstrate the flexibility of the transformational approach for reasoning with ambiguous and inconsistent information.

Sudkamp, Thomas↗

Benchmarking intra-nuclear cascade models for neutrino scattering with relativistic optical potentials

The description of final-state interactions (FSI) in the large phase space probed in neutrino experiments poses a great challenge. In neutrino experiments, which operate under semi-inclusive conditions, cascade models are commonly used for this task, while under exclusive conditions FSI can be treated with relativistic optical potentials (ROP). We formulate conditions under which the ROP approach and cascade model can be directly compared. We feed the NEUT cascade with events from a relativistic distorted-wave impulse approximation calculation that uses the real part of an optical potential. Cuts on the missing energy of the resulting events are applied to define a set of events that can be directly compared to RDWIA calculations with the full optical potential. The NEUT cascade and ROP agree for proton kinetic energies $T_p > 150$ MeV for carbon, oxygen and calcium nuclei when a realistic nuclear density is used to introduce events in the cascade. For $T_p < 100$ MeV the ROP and NEUT cross sections differ in shape and differences in magnitude are larger than 50 %. Single transverse variables allow to distinguish different approaches to FSI, but due to a large non-QE contribution the comparison to T2K data does not give an unambiguous view of FSI. We discuss electron scattering and argue that with a cut in missing energy FSI can be studied with minimal confounding factors in e.g. $e4\nu$. The agreement of the ROP and NEUT for T2K conditions lends confidence to these models as a tool in oscillation analyses for sufficiently large nucleon kinetic energies. These results urge for caution when a cascade model is applied for small nucleon energies. The assessment of model assumptions relevant to this region are strongly encouraged. This paper provides novel constraints on cascade models from proton-nucleus scattering that can be easily applied to other neutrino event generators.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

The Detector Design of the Jefferson Lab EIC

The Electron-Ion Collider (EIC) is envisioned as the next-generation U.S. facility to study quarks and gluons in strongly interacting matter. The broad physics program of the EIC aims to precisely image gluons in nucleons and nuclei and to reveal the origin of the nucleon spin by colliding polarized electrons with polarized protons, polarized light ions, and heavy nuclei at high luminosity. The Jefferson Lab EIC (JLEIC) design is based on a figure-8 shaped ring-ring collider. The luminosity, exceeding 1033cm -2 s -1 in a broad range of the center-of-mass energy and maximum luminosity above 1034cm -2 s -1 , is achieved by high-rate collisions of short small-emittance low-charge bunches made possible by high-energy electron cooling of the ion beam and synchrotron radiation damping of the electron beam. The polarization of light ion species (p, d, 3He) can be easily preserved and manipulated due to the unique figure-8 shape of the collider rings. The focus of this presentation is put on the JLEIC primary detector that has been designed to support the full physics program of the EIC and to provide essentially full acceptance to all fragments produced in collisions. The detector has been fully integrated with the accelerator and extended to the forward electron and hadron regions to achieve exceptional small-angle acceptance and resolution as well as high-precision electron polarimetry and low-Q 2 tagging. The Central Detector design allows for excellent tracking up to small angles and excellent hadron PID resulting and offers a great performance, in particular for semi-inclusive and exclusive measurements. The combination of high luminosity, highly polarized lepton and ion beams, and a full acceptance, multi-purpose detector fully integrated with the accelerator will allow JLEIC a unique opportunity to make breakthroughs in the investigation of the strong interaction.

43 PARTICLE ACCELERATORS↗

A Perylene‐Based Microporous Coordination Polymer Interacts Selectively with Electron‐Poor Aromatics

Abstract The design, synthesis, and properties of the new microporous coordination polymer UMCM‐310 are described. The unique electronic character of the perylene‐based linker enables selective interaction with electron‐poor aromatics leading to efficient separation of nitroaromatics. UMCM‐310 possesses high surface area and large pore size and thus permits the separation of large organic molecules based on adsorption rather than size exclusion.

Tran, Ly D.↗

Chiral Recognition of Lipid Bilayer Membranes by Supramolecular Assemblies of Peptide Amphiphiles

On the basis of the exclusive existence of homochirality in biomolecules and the well-known phenomenon of chiral recognition, it is obvious that chirality is a crucial factor in biological events. We report here that supramolecular assemblies of peptide amphiphiles interact with lipid bilayer membranes in a stereospecific manner. When negatively charged chiral phospholipid bilayer vesicles were subjected to the assemblies, we found that peptide amphiphiles with l-amino acids show stronger affinity for the liposomes compared to the ones with d-amino acids. To examine their biological functions, we tested the cytotoxicity of nanofibers against mammalian primary cells using human bone marrow mesenchymal stem cells and murine astroglial cells. In this work, we demonstrated that cell viability increased when d-amino acids were incorporated in the structure of peptide amphiphiles, which is consistent with our finding of their weaker interactions with lipid bilayer membranes.

36 MATERIALS SCIENCE↗

LHC Forward Physics

The goal of this report is to give a comprehensive overview of the rich field of forward physics, with a special attention to the topics that can be studied at the LHC. The report starts presenting a selection of the Monte Carlo simulation tools currently available, chapter 2, then enters the rich phenomenology of QCD at low, chapter 3, and high, chapter 4, momentum transfer, while the unique scattering conditions of central exclusive production are analyzed in chapter 5. The last two experimental topics, Cosmic Ray and Heavy Ion physics are presented in the chapter 6 and 7 respectively. Chapter 8 is dedicated to the BFKL dynamics, multiparton interactions, and saturation. The report ends with an overview of the forward detectors at LHC. Each chapter is correlated with a comprehensive bibliography, attempting to provide to the interested reader with a wide opportunity for further studies.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Generation and Characterization of an IgG4 Monomeric Fc Platform

The immunoglobulin Fc region is a homodimer consisted of two sets of CH2 and CH3 domains and has been exploited to generate two-arm protein fusions with high expression yields, simplified purification processes and extended serum half-life. However, attempts to generate one-arm fusion proteins with monomeric Fc, with one set of CH2 and CH3 domains, are often plagued with challenges such as weakened binding to FcRn or partial monomer formation. Here, we demonstrate the generation of a stable IgG4 Fc monomer with a unique combination of mutations at the CH3-CH3 interface using rational design combined with in vitro evolution methodologies. In addition to size-exclusion chromatography and analytical ultracentrifugation, we used multi-angle light scattering (MALS) to show that the engineered Fc monomer exhibits excellent monodispersity. Furthermore, crystal structure analysis (PDB ID: 5HVW) reveals monomeric properties supported by disrupted interactions at the CH3-CH3 interface. Monomeric Fc fusions with Fab or scFv achieved FcRn binding and serum half-life comparable to wildtype IgG. These results demonstrate that this monomeric IgG4 Fc is a promising therapeutic platform to extend the serum half-life of proteins in a monovalent format.

59 BASIC BIOLOGICAL SCIENCES↗

Color Transparency and Light-Front Holographic QCD

Color transparency, the reduction of initial-state or final-state interactions in coherent nuclear processes, is a natural prediction of QCD (quantum chromodynamics) provided that small-sized or point-like configurations (PLCs) are formed in high-momentum transfer, high-energy, semi-exclusive processes. I use the Frankfurt-Miller-Strikman criteria for the existence of PLCs to show that the wave functions of light-front holographic QCD, as currently formulated, do not contain a PLC.

Miller, Gerald A. (ORCID:0000000324433639)↗

Further observations of SCC in alpha-beta brass Considerations regarding the appearance of crack arrest markings during SCC

A series of constant displacement and constant extension rate stress corrosion cracking (SCC) tests was performed on an alpha-beta brass alloy in 1 N Na2SO4 solutions. The chosen mechanical and electrochemical conditions resulted in predominantly transgranular, cleavage-like failure at high (about 8 to 50 microns/s) average crack propagation rates. Crack arrest markings were observed on selected transgranular facets, which almost exclusively bordered regions of ductile overload failure. It is proposed that the observed crack velocities and the specific nature of the arrest mark appearance are most consistent with a cracking mechanism involving adsorption or some other interaction with a damaging environmental species.

Hintz, M. B.↗

Spatial scales of competition and a growth–motility trade-off interact to determine bacterial coexistence

The coexistence of competing species is a long-lasting puzzle in evolutionary ecology research. Despite abundant experimental evidence showing that the opportunity for coexistence decreases as niche overlap increases between species, bacterial species and strains competing for the same resources are commonly found across diverse spatially heterogeneous habitats. We thus hypothesized that the spatial scale of competition may play a key role in determining bacterial coexistence, and interact with other mechanisms that promote coexistence, including a growth–motility trade-off. To test this hypothesis, we let two Pseudomonas putida strains compete at local and regional scales by inoculating them either in a mixed droplet or in separate droplets in the same Petri dish, respectively. We also created conditions that allow the bacterial strains to disperse across abiotic or fungal hyphae networks. We found that competition at the local scale led to competitive exclusion while regional competition promoted coexistence. When competing in the presence of dispersal networks, the growth–motility trade-off promoted coexistence only when the strains were inoculated in separate droplets. Our results provide a mechanism by which existing laboratory data suggesting competitive exclusion at a local scale is reconciled with the widespread coexistence of competing bacterial strains in complex natural environments with dispersal.

59 BASIC BIOLOGICAL SCIENCES↗

Sequential Deposition of Organic Films with Eco‐Compatible Solvents Improves Performance and Enables Over 12%‐Efficiency Nonfullerene Solar Cells

Abstract Casting of a donor:acceptor bulk‐heterojunction structure from a single ink has been the predominant fabrication method of organic photovoltaics (OPVs). Despite the success of such bulk heterojunctions, the task ofcontrolling the microstructure in a single casting process has been arduous and alternative approaches are desired. To achieve OPVs with a desirable microstructure, a facile and eco‐compatible sequential deposition approach is demonstrated for polymer/small‐molecule pairs. Using a nominally amorphous polymer as the model material, the profound influence of casting solvent is shown on the molecular ordering of the film, and thus the device performance and mesoscale morphology of sequentially deposited OPVs can be tuned. Static and in situ X‐ray scattering indicate that applying (R)‐(+)‐limonene is able to greatly promote the molecular order of weakly crystalline polymers and form the largest domain spacing exclusively, which correlates well with the best efficiency of 12.5% in sequentially deposited devices. The sequentially cast device generally outperforms its control device based on traditional single‐ink bulk‐heterojunction structure. More crucially, a simple polymer:solvent interaction parameter χ is positively correlated with domain spacing in these sequentially deposited devices. These findings shed light on innovative approaches to rationally create environmentally friendly and highly efficient electronics.

Ye, Long↗

Dark matter search in a Beam-Dump eXperiment (BDX) at Jefferson Lab (2018 update to PR12-16-001)

This document complements and completes what was submitted last year to PAC45 as an update to the proposal PR12-16-001 "Dark matter search in a Beam-Dump eXperiment (BDX)" at Jefferson Lab submitted to JLab-PAC44 in 2016. Following the suggestions contained in the PAC45 report, in coordination with the lab, we ran a test to assess the beam-related backgrounds and validate the simulation framework used to design the BDX experiment. Using a common Monte Carlo framework for the test and the proposed experiment, we optimized the selection cuts to maximize the reach considering simultaneously the signal, cosmic-ray background (assessed in Catania test with BDX-Proto) and beam-related backgrounds (irreducible NC and CC neutrino interactions as determined by simulation). Our results confirmed what was presented in the original proposal: with 285 days of a parasitic run at 65 $\mu$A (corresponding to $10^{22}$ EOT) the BDX experiment will lower the exclusion limits in the case of no signal by one to two orders of magnitude in the parameter space of dark-matter coupling versus mass.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Engineered human vascular models to study endothelial dysfunction in infectious disease

Vascular involvement plays a pivotal role in the pathogenesis of numerous emerging viral threats, with climate changes amplifying the likelihood of these diseases evolving into pandemics. Establishing an infectable and physiologically relevant human in vitro model holds immense importance in comprehending the pathogenesis of these threats and devising effective countermeasures. Although in vivo models provide valuable insight into disease, their application is restricted by interspecies variations, particularly concerning pathogens exclusive to humans. Moreover, animal models often fail to replicate comorbidities prevalent in patient populations, thus limiting our understanding of disease behavior in humans. In this study, we have devised a testing platform aimed at exploring pathogen interactions with innate immunity within the vasculature, encompassing both healthy and dysfunctional endothelial conditions.

42 ENGINEERING↗

A Proposed Model for Protein Crystal Nucleation and Growth

How does one take a molecule, strongly asymmetric in both shape and charge distribution, and assemble it into a crystal? We propose a model for the nucleation and crystal growth process for tetragonal lysozyme, based upon fluorescence, light, neutron, and X-ray scattering data, size exclusion chromatography experiments, dialysis kinetics, AFM, and modeling of growth rate data, from this and other laboratories. The first species formed is postulated to be a 'head to side' dimer. Through repeating associations involving the same intermolecular interactions this grows to a 4(sub 3) helix structure, that in turn serves as the basic unit for nucleation and subsequent crystal growth. High salt attenuates surface charges while promoting hydrophobic interactions. Symmetry facilitates subsequent helix-helix self-association. Assembly stability is enhanced when a four helix structure is obtained, with each bound to two neighbors. Only two unique interactions are required. The first are those for helix formation, where the dominant interaction is the intermolecular bridging anion. The second is the anti-parallel side-by-side helix-helix interaction, guided by alternating pairs of symmetry related salt bridges along each side. At this stage all eight unique positions of the P4(sub3)2(sub 1),2(sub 1) unit cell are filled. The process is one of a) attenuating the most strongly interacting groups, such that b) the molecules begin to self-associate in defined patterns, so that c) symmetry is obtained, which d) propagates as a growing crystal. Simple and conceptually obvious in hindsight, this tells much about what we are empirically doing when we crystallize macromolecules. By adjusting the growth parameters we are empirically balancing the intermolecular interactions, preferentially attenuating the dominant strong (for lysozyme the charged groups) while strengthening the lesser strong (hydrophobic) interactions. In the general case for proteins the lack of a singularly defined association pathway may lead to formation of multiple species, i.e., amorphous precipitation. Weak interactions, such as hydrogen bonds, are promiscuous, serving to strengthen rather than define specific interactions. Participation in an interaction sequesters that surface from subsequent interactions, and we expect the strongest bonds to form first. This model, its basis, how it fits into the currently understood osmotic second virial coefficient approach to crystallization, and what it suggests will be discussed.

Pusey, Marc↗

Back in bismuth: controlling triplet energy transfer, phosphorescence, and radioluminescence via supramolecular interactions

Five bismuth(III)-organic phases that consist of supramolecular assemblies of Bi-2,6-pyridinedicarboxylate structural units and substituted 1,10-phenanthroline molecules (R-Phen; R = H, 5-methyl, 5-chloro, 2,9-dimethyl, and 2,9-dicholoro) were synthesized. All five compounds exhibited solid-state photoluminescence. Whereas the phases containing 2,9-dimethylphenanthroline (Me 2 Phen) and 2,9-dichlorophenanthroline (Cl 2 Phen) displayed solely phosphorescence, the structures built from 5-methylphenanthroline and 5-chlorophenanthroline showed exclusively fluorescence. The remaining phase, consisting of phenanthrolinium, exhibited both fluorescence and phosphoresence. It was determined that phosphorescence arises from triplet state emission (T 1 → S 0 ) of substituted R-Phen units while fluorescence originates from Bi(III) coordinated pyrdinedicarboxylate ligands. Bismuth induces spin–orbit coupling for triplet state population and additionally acts as a heavy metal attenuator for X-ray luminescence (radioluminescence). The electronic structure was mapped and excitation pathway investigated via density functional theory calculations. Computational findings indicate favorable conditions for triplet energy transfer from donor Bi(III)-organic units to acceptor R-Phen derivatives. It is proposed that for the phosphorescent compounds, strong π–π interactions promote electron transfer, whereas the compounds that exhibit purely fluorescence lack any such π–π interactions and undergo triplet energy transfer. In conclusion, these results provide a useful platform for probing structure–property relationships of luminescent bismuth-organic compounds, and specifically highlights the role of noncovalent interactions in achieving room temperature phosphorescence and radioluminescence.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Search for Excited Leptons in Proton-Proton Collisions at $\sqrt{s}$ = 8 TeV

A search for compositeness of electrons and muons is presented using a data sample of proton-proton collisions at a center-of-mass energy of $ \sqrt{s} = 8 $ TeV collected with the CMS detector at the LHC and corresponding to an integrated luminosity of 19.7 fb$^{−1}$. Excited leptons (ℓ$^{*}$) produced via contact interactions in conjunction with a standard model lepton are considered, and a search is made for their gauge decay modes. The decays considered are ℓ$^{*}$ → ℓγ and ℓ$^{*}$ → ℓZ, which give final states of two leptons and a photon or, depending on the Z-boson decay mode, four leptons or two leptons and two jets. The number of events observed in data is consistent with the standard model prediction. Exclusion limits are set on the excited lepton mass, and the compositeness scale Λ. For the case M$_{ℓ*}$ = Λ the existence of excited electrons (muons) is excluded up to masses of 2.45 (2.47) TeV at 95% confidence level. Neutral current decays of excited leptons are considered for the first time, and limits are extended to include the possibility that the weight factors f and f′, which determine the couplings between standard model leptons and excited leptons via gauge mediated interactions, have opposite sign.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Wood Decomposition: Understanding Processes Regulating Carbon Transfer to Soil Carbon Pools Using FACE Wood at Multiple Scales

Dead wood comprises approximately 20% of forest biomass. While it is widely recognized for its role in ecosystem functions relative to habitat and nutrient cycling, there are considerable uncertainties associated with its role in the forest carbon (C) cycle. The principal uncertainty is whether dead wood contributes to the soil C pool. With little supporting evidence, the presumption is that C in wood is respired back to the atmosphere through decomposition processes. The inability to attribute forest soil C to its source components has been a barrier to addressing this important forest carbon cycle question. The U.S. Dept. of Energy’s Free Air CO 2 Enrichment (FACE) experiment produced wood that has a distinct δ 13 C signature that can be used to trace its fate through organic matter decomposition processes. Using two hardwood species (aspen, birch) from the Rhinelander FACE site and pine from the Duke FACE site, the FACE Wood Decomposition Experiment (FWDE) was established in 2011 to provide the foundation for addressing wood decomposition and its associated processes at the continental scale. Plots were installed on nine experimental forests representing a range in bioclimatic forest conditions within the continental U.S. Each identical plot has logs of the three species incubating on the soil surface and pine logs suspended in the air, representing standing dead wood. Abiotic conditions are monitored continuously, and soil and forest conditions characterized. Logs on the sites have been measured every two years to assess decay. This project was initiated in 2016 with specific objectives to: (a) determine whether dead wood C contributes to the soil C pool, (b) assess the fungal community composition mediating the decay, (c) assess the interactions of termites with microbial decay, and (d) develop a mechanistic model to simulate wood decomposition. The principal field sampling was conducted in 2017; correspondingly, the results reported here represent six years of decomposition. Wood decomposition varied from 13 to 75 % loss across the bioclimatic gradient. Sites in the southeastern U.S. coastal plain and piedmont had fastest decomposition rates for each of the species. In contrast sites in the Rocky Mountains had the slowest decay rates, which were associated with cold temperatures. Standing deadwood decomposes at a much slower rate than logs on the soil surface; a response due to differences in wood moisture content. Wood carbon was measured in the mineral soil across each of the sites; accordingly, this is the first study to affirm that a portion of the wood C does become part of the soil C pool. Averaged across the FWDE sites, approximately 1.4% of the soil C in the upper 10 cm of the mineral soil directly beneath the log was derived from the deadwood; within 50 cm of the log, wood C accounted for an average of 2.1%. These results demonstrate that the contribution of deadwood to the soil C pool is a soil volume surrounding the log; and it’s likely a larger volume than what we sampled. We also hypothesized that there would be more wood C in the mineral soil when termites were present. However, that hypothesis wasn’t supported by measurements on the Santee Experimental Forest termite exclusion (SEF-TX) plots under FACE logs that incubated for 6 years. Across all the sites, the majority of the wood C was transferred to the atmosphere. Approximately 7,000 fungal species were sequenced. The fungal communities were different among each of the sites suggesting local colonization; interestingly, within sites the three species also exhibited differences in fungal community composition. White rot was the dominant fungal form in pine and hardwood, which yields less lignin in the wood residue. Brown rot occurred in approximately 20% of the pine and aspen logs, and it did not occur in birch logs. The occurrence of brown rot was only weakly correlated to site factors. We conducted two additional experiments to assess the effects of termites on wood decomposition and the associated interactions with the fungal community. Pine and birch logs were incubated on the Santee Experimental Forest termite exclusion plots in upland and riparian settings. There was no difference in decay between areas where termites were able colonize and plots where they had been excluded. Highly variable foraging by termites was a primary contributor the result. Correspondingly, fungal communities did not vary on logs incubated among the two treatments, but they did reflect site and species differences. The second experiment was conducted on each of the nine FWDE sites where pine and birch wood blocks were incubated for two years with and without a wrapping designed to exclude termites and other arthropods. The effects of termites on wood decomposition could be confirmed on two of the four sites known to have subterranean termites. On the two southeastern sites, termites contributed approximately 8% to mass loss in pine blocks over two years. A major factor clouding the role of termites in wood decomposition is the inability to assess the time, duration, and intensity of the foraging with the logs. Another uncertainty is related to whether a piece of wood will be foraged. A process-based wood decomposition model was developed representing biological processes mediated by fungi, bacteria, termites, beetles, as well as physical and chemical processes. The Coarse Wood Decomposition Model (CWDM) was parameterized based on a thorough review of the literature and it was validated using data from the FWDE. In the initial setup, the model considers softwoods and hardwoods groups, as opposed to individual species. Sensitivity analyses incorporating climate data from 89 locations in North America demonstrated that CWDM was stable from the tropics to the boreal zone. Model calibration and validation showed it to perform very well. The CWDM is poised for additional testing with subsequent FWDE data as well as other data sets, and it is available for incorporation into forest biogeochemical models or DOEs Earth System Modeling framework.

54 ENVIRONMENTAL SCIENCES↗