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At least 487 records · Page 27

Herpesviruses in Saliva and Their Clinical Significance

Saliva has been used as a source of biological markers for a wide spectrum of normal and disease states for a long time. It is a non-invasive, easily accessible, and self-collected body fluid that contains a variety of measurable biological substances. While mostly water, saliva also contains ions, carbohydrates, proteins and peptides, exfoliated cells, nucleic acids, and microorganisms. Saliva can reflect tissue levels of some natural substances and a large variety of molecules introduced for therapeutic use, emotional status; hormonal status, immunological status, neurological effects, and nutritional and metabolic status. It can also be used to monitor a variety of drugs including marijuana, cocaine, and alcohol. It is the most cost-effective approach for screening large population in community mass screening programs and for longitudinal sampling of hospitalized individuals aimed at monitoring viral load dynamics and treatment response. During the COVID-19 pandemic, scientific evidence emerged indicating that molecular tests performed on saliva have diagnostic sensitivity and specificity comparable to those observed with nasopharyngeal swabs for SARS-CoV-2 RNA detection. The presence of IgA and IgG antibodies at the mucosal level has been demonstrated to influence the progression of viral infection and the severity of clinical manifestation. As saliva contains both respiratory secretions and immunological components, it has wide applications, ranging from clinical diagnostics to post-vaccine disease burden and immunity surveillance.

Douglass Diak↗

Novel Multidimensional Tracers for Geothermal Inter-Well Diagnostics

This is the Final Report of the three-year project “Novel Multidimensional Tracers for Geothermal Inter-Well Diagnostics” (DE-EE00003032, April 1, 2010 – March 30, 2013), in which we present our major accomplishments with detailed descriptions of our experimental and theoretical efforts. Upon the successful conduction of this project, we have followed our proposed breakdown work structure completing most of the technical tasks. Finally, we have developed and demonstrated the matrix of smart geothermal tracers and the corresponding interpretation tools together with the novel pre-concentration technique – the Hollow Fiber Liquid-Liquid Micro-Extraction (HFLLME), which present superior performance in terms of the ultralow detection limits (up to 10-12g/mL with signal-to-noise ratio of 2); high workable temperature up to 300°C; and the significant enhancement in the characterization of subsurface environment. We have developed in- depth mechanistic understandings on the complicated chemistry involved in the tracer- matrix interaction as well as developed the unique yet effective experimental protocols (screening methodologies, analytical tools, pre-concentration and derivatization techniques) for achieving a highly efficient yet economically feasible and environmentally friendly geothermal tracer system. The most important findings have been reported to DOE in this Final Report and our 12 Quarterly Reports.

15 GEOTHERMAL ENERGY↗

Hanford Under-tank Inspection with Ultrasonic Volumetric Non-destructive Examination Technology - 18470

The U.S. Department of Energy (DOE) and the Hanford Site Tank Operations Contractor Washington River Protection Solutions, LLC (WRPS) are sponsoring a non-destructive evaluation (NDE) technology development program to identify and mature volumetric (non-visual) NDE technology that will enable the examination of Hanford double-shell tank (DST) bottoms. NDE technology for Hanford under-tank examination will be made possible through technology maturation that includes adaptation of NDE sensor technology to overcome access challenges presented by tank risers and refractory pad air-slots, followed by integration with robotic delivery systems, and ultimately qualification and deployment of the inspection systems. The stages of technology maturation and the testing and evaluation required to support the process are organized under three program phases: Phase I - NDE Capability Testing: Identify and down-select NDE technologies based on flaw detection and characterization abilities only; Phase 2 - NDE Delivery System Testing: Mature promising NDE technologies to adapt transducer hardware and robotic delivery system to address access challenges; Phase 3 - Full-scale Demonstration of Integrated NDE System: Demonstrate adapted NDE technologies in a cold test platform to challenge flaw detection and navigation abilities. Phase I of the program, which was initiated and completed in FY2017, focused on completing the following five key activities: 1. Identifying a broad cross section of potentially applicable NDE volumetric inspection technologies for under-tank examination. 2. Down-selecting the broad set of NDE technologies to a set of strong candidates based on initial flaw detection performance and potential to be adapted/matured to overcome primary tank access challenges posed by access risers and/or refractory pad air-slots. 3. Evaluating the flaw detection performance of the candidate sensors through testing. 4. Using the test results to baseline sensor performance against the flaw detection requirements established for high-level waste tanks. 5. Assessing the trade-offs and vulnerabilities of the candidate sensors that would negatively impact sensor performance reliability or complicate tank inspection operations. The completion of the first three key activities satisfied the first two Phase I test objectives, which were to complete Technology Screening and Sensor Effectiveness Testing. Completion of the fourth key activity satisfied the final test objective of Phase I, which was to determine the extent to which the sensors can satisfy high-level waste tank flaw detection requirements. Sensor flaw detection performance testing yielded several suitable sensor technology options, although each has specific risks or challenges that would need to be accepted or overcome. Thus, the fifth key activity was performed to evaluate sensor risks and challenges for consideration with flaw detection performance. The Phase I evaluation outcomes will be used to support the Phase I programmatic objective, which is to identify one or more NDE sensor technologies for adaptation and maturation for the DST environment. Selection of one or more sensors will mark the culmination of Phase I of the NDE Technology Development Program and allow progression to Phase II.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Zeolite-templated carbons as effective sorbents to remove methylsiloxanes and derivatives: A computational screening

Though widely used in our daily lives, volatile methylsiloxanes and derivatives are emerging contaminants and becoming a high-priority environment and public health concern. Developing effective sorbent materials can remove siloxanes in a cost-effective manner. Herein, by means of Grand Canonical Monte Carlo (GCMC) simulations, we evaluated the potentials of the recently proposed 68 stable zeolite-templated carbons (ZTCs) for the removal of four linear methylsiloxanes and derivatives as well as two cyclic methylsiloxanes by the calculated average loading and average adsorption energy values. Four ZTCs, namely ISV, FAU1, FAU3, and H8326836, were identified with the top 50% adsorption performance toward all the six targeted contaminants, which outperform activated carbons. Further first principles computations revealed that steric hindrance, electrostatic interactions (further enhanced by charge transfer), and CH-π interactions account for the outstanding adsorption performance of these ZTCs. This work provides a quick procedure to computationally screen promising ZTCs for siloxane removal, and help guide future experimental and theoretical investigations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Nonlocal screening in metal surfaces

Due to the effect of the nonuniform environment on the static screening of the Coulomb potential, the local-density approximation for the particle-hole interaction is found to be inadequate to determine the surface energy of simple metals. Use of the same set of single-particle states, and thus the same one-body density and the same work function, has eliminated the single-electron states in favor of the structure of the short-ranged correlations as the basis of this effect. A posteriori simplifications of the Fermi hypernetted-chain theory may be found to allow the same calculational accuracy with simpler computational tools.

Krotscheck, E.↗

Assessment of Airfoil Property Sensitivity on Wind Turbine Extreme and Fatigue Loads: Preprint

Wind turbines are designed using a set of simulations to determine the structural loads that the turbine could experience. These structural loads can be significant influenced by physical turbine parameters. While significant research and effort has been put into measuring and defining such parameters, limited work has been done to quantify the sensitivity of structural loads to uncertainty in the physical turbine parameters. This paper therefore seeks to assess the sensitivity of different turbine aerodynamic parameters on the resulting ultimate and fatigue loads of the turbine during normal operational conditions. Eighteen different turbine parameters are screened using an Elementary Effects approach with radial points. The results show a high sensitivity of the loads to the blade twist and lift coefficient distributions. To a lesser extent, other turbine parameters that drive loads include the maximum lift coefficient location, blade chord length, and drag coefficient distributions.

17 WIND ENERGY↗

A model for the acoustic impedance of linear suppressor materials bonded on perforated plate

An analytical model is developed for the acoustic impedance of a composite made of a fine screen bonded to a perforated plate, the resistance having been modeled using steady flow theory and data, and including both linear and nonlinear components. The model of the screen resistance alone is derived first, and it is then extended to include a perforated plate bonded to the screen. Quantities such as effective open ratio and pressure recovery are evaluated. Conclusions are presented, including: (1) when the screen is bonded to a perforated plate, the linear resistance increases as the inverse of the perforate open area, (2) the nonlinearity in the screen resistance depends on the square of the screen wire diameter, and (3) when the resistance is considered as a function of approach velocity, the screen nonlinear term increases as the inverse of the square of the perforated plate open area ratio. The general theory can be applied to any screen structure, but final results are limited to a twilled square weave screen. Results can be applied to the study of sound absorbing materials used for lining the walls of aircraft engine duct suppressors.

Rice, E. J.↗

Localized High Concentration Electrolytes for High Voltage Lithium-Metal Batteries: Correlation between the Electrolyte Composition and Its Reductive/Oxidative Stability

We demonstrate a first-principles screening methodology as an effective tool to explore electrolyte formulations for the new generation of high energy density rechargeable batteries. We study the liquid structure and electronic properties in dilute electrolytes, high concentration electrolytes (HCE), and localized high concentration electrolytes (LHCE), with focus on electrolyte formulations based on lithium bis(fluorosulfonyl)imide (LiFSI), dimethyl carbonate (DMC), and bis(2,2,2-trifluoroethyl) ether (BTFE) as a diluent. We describe the solvation complexes in the dilute electrolyte and explore structural changes triggered by the increase in lithium salt concentration for HCEs and the diluent effects in LHCEs. In HCE formulations, there is a 4-fold coordination environment of lithium-ions as in the dilute electrolyte, but the number of lithium-ion interactions with O atoms from FSI- anions dominates. In these solutions, the ability of the FSI- anions to interact with multiple lithium-ions allows complex 3D network formation and influences the reductive/oxidative behavior of the electrolyte. Interestingly, in LHCEs, the BTFE diluent molecules do not change the 3D solution structure when diluting the HCE formulation from 5.49 to 3.83 M. However, there is a composition threshold where the structural and electronic behavior may change. We show that diluting the HCE electrolyte with BTFE down to 1.77 M breaks the three-dimensional solution structure into an island-like solvation complex. We relate these structural changes to the electronic properties of the electrolytes finding a causal relationship between the reductive/oxidative behavior and the lithium-oxygen interaction mechanisms in the solvated complexes. The coordination with lithium-ions lowers the electrolyte LUMO and HOMO levels: the higher is the number of interactions with lithium-ions, the more likely the solvent molecule, FSI- anion, or diluent molecule is to be reduced and the less likely it is to become oxidized. The evolution of the solvated ion structure in HCE and LHCE suggests a close connection to a corresponding change in the lithium-ion transport mechanisms for these electrolytes.

anions, molecules, oxygen, solvents, electrolytes↗

Optimal Stopping Ages for Colorectal Cancer Screening

Importance Prior studies have shown that the benefits, harms, and costs of colorectal cancer (CRC) screening at older ages are associated with a patient’s sex, health, and screening history. However, these studies were hypothetical exercises and not directly informed by data on CRC risk. Objective To identify the optimal stopping ages for CRC screening by sex, comorbidity, and screening history from a cost-effectiveness perspective. Design, Setting, and Participants This economic evaluation first validated the MISCAN-Colon (Microsimulation Screening Analysis–Colon) model against community-based CRC incidence and mortality rates for 2 subcohorts of the PRECISE (Optimizing Colorectal Cancer Screening Precision and Outcomes in Community-Based Populations) cohort. Subsequently, different CRC screening scenarios were simulated in older individuals. Cohorts of US adults aged 76 to 90 years varied by sex and comorbidity status (none, low, moderate, or severe). Statistical and sensitivity analyses were performed from March 2023 to May 2024. Exposures CRC screening histories including fecal immunochemical test (FIT) or colonoscopy, such as a negative colonoscopy result from 10, 15, 20, 25, or 30 years before the index age; 1 to 5 negative FIT results within 5 years of the index age, with different patterns of recency; or a combination of negative colonoscopy and negative FIT results. Main Outcomes and Measures The main outcomes included estimated lifetime clinical outcomes, incremental costs, and quality-adjusted life-years gained (QALYG) associated with 1 additional FIT or colonoscopy. Optimal stopping age for screening, defined as the oldest age for which the incremental cost-effectiveness ratio was still below the willingness-to-pay threshold of $\$$100 000 per QALYG, was evaluated. Results The first of the 2 PRECISE subcohorts used in validating the simulation model included 25 974 adults (15 060 females [58.0%]; 54.7% aged 76 to 80 years) with a negative colonoscopy result 10 years before the index date. The second subcohort consisted of 118 269 adults (67 058 females [56.7%]; 90.5% aged 76 to 80 years) with a negative FIT result 1 year before the index date. Older age, male sex, higher comorbidity levels, and recent CRC screenings were associated with reduced incremental benefit and cost-effectiveness of additional screening. For the reference cohort of 76-year-old females without comorbidities and a negative colonoscopy result 10 years before the index age, 1 additional colonoscopy cost $\$$38 226 per QALYG. For cohorts with otherwise equivalent characteristics, associated costs increased to $\$$1 689 945 per QALYG for females at age 90 years without comorbidities and a negative colonoscopy results 10 years before the index age, $\$$51 604 per QALYG for males at age 76 years without comorbidities and a negative colonoscopy result 10 years before the index age, and $\$$108 480 per QALYG for females at age 76 years with severe comorbidities and a negative colonoscopy result 10 years before the index age and decreased to $\$$16 870 per QALYG for females without comorbidities and a negative colonoscopy result 30 years before the index age. The optimal stopping ages across different cohorts ranged from younger than 76 to 86 years for colonoscopy and younger than 76 to 88 years for FIT. Conclusions and Relevance In this economic evaluation, age, sex, screening history, comorbidity, and future screening modality were associated with the clinical outcomes, cost-effectiveness, and optimal stopping age for CRC screening. These results can inform guideline development and patient-directed informed decision-making.

Harlass, Matthias [Erasmus Erasmus University Medi↗

Solving the Bethe-Salpeter equation on a subspace: Approximations and consequences for low-dimensional materials

It is well known that the ambient environment can dramatically renormalize the quasiparticle gap and exciton binding energies in low-dimensional materials, but the effect of the environment on the energy splitting of the spin-singlet and spin-triplet exciton states is less understood. A prominent effect is the renormalization of the exciton binding energy and optical strength (and hence the optical spectrum) through additional screening of the direct Coulomb term describing the attractive electron-hole interaction in the kernel of the Bethe-Salpeter equation. The repulsive exchange interaction responsible for the singlet-triplet splitting, on the other hand, is unscreened within formal many-body perturbation theory. However, Benedict argued that in practical calculations restricted to a subspace of the full Hilbert space, the exchange interaction should be appropriately screened by states outside of the subspace, the so-called S approximation [L. X. Benedict, Phys. Rev. B 66, 193105 (2002)PRBMDO0163-182910.1103/PhysRevB.66.193105]. Here, we systematically explore the accuracy of the S approximation for different confined systems, including a molecule and heterostructures of semiconducting and metallic layered materials. We show that the S approximation is actually exact in the limit of small exciton binding energies (i.e., small direct term) and can be used to significantly accelerate convergence of the exciton energies with respect to the number of empty states, provided that a particular effective screening consistent with the conventional Tamm-Dancoff approximation is employed. We further find that the singlet-triplet splitting in the energy of the excitons is largely unaffected by the external dielectric environment for most quasi-two-dimensional materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Charged impurity-induced scatterings in chemical vapor deposited graphene

We investigate the effects of defect scatterings on the electric transport properties of chemical vapor deposited (CVD) graphene by measuring the carrier density dependence of the magneto-conductivity. To clarify the dominant scattering mechanism, we perform extensive measurements on large-area samples with different mobility to exclude the edge effect. We analyze our data with the major scattering mechanisms such as short-range static scatters, short-range screened Coulomb disorders, and weak-localization (WL). We establish that the charged impurities are the predominant scatters because there is a strong correlation between the mobility and the charge impurity density. Near the charge neutral point (CNP), the electron-hole puddles that are induced by the charged impurities enhance the inter-valley scattering, which is favorable for WL observations. Away from the CNP, the charged-impurity-induced scattering is weak because of the effective screening by the charge carriers. As a result, the local static structural defects govern the charge transport. Our findings provide compelling evidence for understanding the scattering mechanisms in graphene and pave the way for the improvement of fabrication techniques to achieve high-quality CVD graphene.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Pressure drop and He II flow through fine mesh screens

Fluid acquisition systems for He II transfer devices will utilize gallery arms to ensure that the fluid encounters the pump inlet. In near term experiments such as Superfluid Helium on Orbit Transfer (SHOOT), the preferred configuration consists of several rectangular channels which have one side made from a Dutch weave stainless steel screen having 325 x 2300 wires per inch. The effective pore diameter for this screen is about 5 microns. The present paper reports on measurements of pressure drop across a screen when it is subjected to a flow of liquid helium. The experiment measures the time rate of change of the level in two different helium reservoirs connected by a screen-blocked channel. Results with normal helium are compared with predictions based on the Armour-Cannon (1968) equations. The He II data show considerable deviation from the classical result. A discussion of the He II pressure drop results in terms of two fluid hydrodynamics is included.

Maddocks, J. R.↗

Investigation of the Boltzmann relation in plasmas with non-Maxwellian electron distribution

An experimental investigation of the Boltzmann relation at various radio frequency (RF) powers was performed in a low pressure RF inductively coupled plasma (ICP). The measured electron energy probability functions (EEPFs) show a high population of low energy electrons at low RF powers, while the population of high energy electrons is high at high RF powers. In these bi-Maxwellian EEPFs, radial variations of the electron density and the plasma potential from the center to the edge of the discharge chamber were plotted according to the Boltzmann relation with the effective temperature T{sub eff} and the screening temperature T{sub s}, and it was found that the Boltzmann relation with the screening temperature, rather than with the effective temperature, describes the relation between the electron density and the plasma potential.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Effect of anisotropic thermal transport on the resistive plasma response to resonant magnetic perturbation field

Plasma response to the resonant magnetic perturbation (RMP) field is numerically investigated by an extended toroidal fluid model, which includes anisotropic thermal transport physics parallel and perpendicular to the total magnetic field. The thermal transport is found to be effective in eliminating the toroidal average curvature induced plasma screening (the so called Glasser-Green-Johnson, GGJ screening) at slow toroidal flow regime, whilst having minor effect on modifying the conventional plasma screening regimes at faster flow. Furthermore, this physics effect of interaction between thermal transport and GGJ screening is attributed to the modification of the radial structure of the shielding current, resulted from the plasma response to the applied field. The modification of the plasma response (shielding current, response field, plasma displacement and the perturbed velocity) also has direct consequence on the toroidal torques produced by RMP. These modelling results show that thermal transport reduces the resonant electromagnetic torque as well as the torque associated with the Reynolds stress, but enhances the neoclassical toroidal viscous torque at slow plasma flow.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Adaptive Data Screening for Multi-Angle Polarimetric Aerosol and Ocean Color Remote Sensing Accelerated by Automatic Differentiation

Remote sensing measurements from multi-angle polarimeters (MAPs) contain rich aerosol microphysical property information, and these sensors have been used to perform retrievals in optically complex atmosphere and ocean systems. Previous studies have concluded that, generally, five moderately separated viewing angles in each spectral band provide sufficient accuracy for aerosol property retrievals, with performance gradually saturating as angles are added above that threshold. The Hyper-Angular Rainbow Polarimeter (HARP) instruments provide high angular sampling with a total of 90-120 unique angles across four bands, a capability developed mainly for liquid cloud retrievals. In practice, not all view angles are optimal for aerosol retrievals due to impacts of clouds, sun glint, and other impediments. The many viewing angles of HARP can provide resilience to these effects, if the impacted views are screened from the dataset, as the remaining views may be sufficient for successful analysis. In this study, we discuss how the number of available viewing angles impacts aerosol and ocean color retrieval uncertainties, as applied to two versions of the HARP instrument. AirHARP is an airborne prototype that was deployed in the ACEPOL field campaign, while HARP2 is an instrument in development for the upcoming NASA Plankton, Aerosol, Cloud, ocean Ecosystem (PACE) mission. Based on synthetic data, we find that a total of 20-30 angles across all bands (i.e. five to eight viewing angles per band) are sufficient to achieve good retrieval performance. Following from this result, we develop an adaptive multi-angle polarimetric data screening (MAPDS) approach to evaluate data quality by comparing measurements with their best-fitted forward model. The FastMAPOL retrieval algorithm is used to retrieve scene geophysical values, by matching an efficient, deep learning-based, radiative transfer emulator to observations. The data screening method effectively identifies and removes viewing angles affected by thin cirrus clouds and other anomalies, improving retrieval performance. This was tested with AirHARP data, and we found agreement with the High Spectral Resolution Lidar-2 (HSRL-2) aerosol data. The data screening approach can be applied to modern satellite remote sensing missions, such as PACE, where a large amount of multi-angle, hyperspectral, polarimetric measurements will be collected.

multi-angle polarimeter↗

Screening IMS Seismic Detections using Dynamic Correlation Processor: Progress report for 2020

LLNL completed the FY20 workplan entailing application of the Dynamic Correlation Processor (DCP) to International Monitoring System (IMS) primary seismic data in 2019 and 2020. The effective analysis period was curtailed to January 1 through November 12, 2019 due to a data compression change that rendered later data unusable. Fixing the data compression error is a priority for our data source, and we plan to extend the period of data analysis when the fix is implemented. We found that the percentage overlap between detections generated by the International Data Centre (IDC) DFX software and detections generated by DCP varied widely by station. Overlap is 30-40% at some stations, suggesting that a large percentage of DFX detections could be screened (removed) from the detection-event association algorithm. However, detection overlap was much lower, a few percent, at many stations and the percentage overlap was low at stations known to have many mines and other local sources of seismicity. Unexpectedly low detection overlap at many stations prompted us to examine results for the ARCES station in detail. There is considerable mine activity near ARCES, but our initial FY20 analysis found only ~2% DCP/DFX detection overlap. Differences in the pre-processing (e.g. beam recipes) used by DCP and DFX appear to be the cause of low detection overlap at ARCES. DCP uses wideband filters to improve detector robustness and the IDC uses narrow-band pre-filtering to improve sensitivity. After reprocessing ARCES using the IDC beam recipe, DCP/DFX overlap increased to ~74%. This result shows that we must reprocess the IMS network using the IDC station-specific beam recipes if we are to effectively screen DFX detections and improve automatic event building performance at the IDC.

58 GEOSCIENCES↗