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At least 1,405 records · Page 78

Elusive Intermediates in the Breakdown Reactivity Patterns of Prodrug Platinum(IV) Complexes

Kinetically inert platinum(IV) complexes are receiving growing attention as promising candidates in the effort to develop safe and valid alternatives to classical square-planar Pt(II) complexes currently used in antineoplastic therapy. Their antiproliferative activity requires intracellular Pt(IV)–Pt(II) reduction (activation by reduction). In the present work, a set of five Pt(IV) complexes has been assayed using mass spectrometry–based techniques, i.e., collision-induced dissociation (CID), and IR multiple photon dissociation (IRMPD) spectroscopy, together with ab initio theoretical investigations. Breakdown and reduction mechanisms are observed that lead to Pt(II) species. Evidence is found for typically transient Pt(III) intermediates along the dissociation paths of isolated, negatively charged (electron-rich) Pt(IV) prodrug complexes. .

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Inhibition of influenza virus infection and hemagglutinin cleavage by the protease inhibitor HAI-2

Highlights: • Biochemical and cell biological analysis of HAI-2 as an inhibitor of influenza HA cleavage activation. • Biochemical and cell biological analysis of HAI-2 as an inhibitor of influenza virus infection. • Comparative analysis of HAI-2 for vesicular stomatitis virus and human parainfluenza virus type-1. • Analysis of the activity of HAI-2 in a mouse model of influenza. - Abstract: Influenza virus remains a significant concern to public health, with the continued potential for a high fatality pandemic. Vaccination and antiviral therapeutics are effective measures to circumvent influenza virus infection, however, multiple strains have emerged that are resistant to the antiviral therapeutics currently on the market. With this considered, investigation of alternative antiviral therapeutics is being conducted. One such approach is to inhibit cleavage activation of the influenza virus hemagglutinin (HA), which is an essential step in the viral replication cycle that permits viral-endosome fusion. Therefore, targeting trypsin-like, host proteases responsible for HA cleavage in vivo may prove to be an effective therapeutic. Hepatocyte growth factor activator inhibitor 2 (HAI-2) is naturally expressed in the respiratory tract and is a potent inhibitor of trypsin-like serine proteases, some of which have been determined to cleave HA. In this study, we demonstrate that HAI-2 is an effective inhibitor of cleavage of HA from the human-adapted H1 and H3 subtypes. HAI-2 inhibited influenza virus H1N1 infection in cell culture, and HAI-2 administration showed protection in a mouse model of influenza. HAI-2 has the potential to be an effective, alternative antiviral therapeutic for influenza.

60 APPLIED LIFE SCIENCES↗

Transient moisture profiles in cover-zone concrete during water absorption

A number of sophisticated techniques, such as NMR imaging and γ-ray attenuation, have now been used to study moisture transport in porous construction materials. This paper presents initial developments in the application of discretized, electrical conductivity measurements as a relatively simple technique to monitor water movement within cover-zone concrete. Using a 3-phase model and the Archie relationship for porous rock formations, conductivity measurements are used to evaluate moisture-content profiles during water ingress and, through the use of Boltzmann's transformation, it is shown that these profiles collapse onto a master-curve. Having obtained the master-curve during absorption, the capillary transport coefficient (D{sub θ}) can then be obtained; however, the current work focuses on presenting the methodology as an alternative testing technique.

36 MATERIALS SCIENCE↗

Deep latency: A new insight into a functional HIV cure

Latent HIV reservoir is the main obstacle that prevents a cure for HIV-1 (HIV). While antiretroviral therapy is effective in controlling viral replication, it cannot eliminate latent HIV reservoirs in patients. Several strategies have been proposed to combat HIV latency, including bone marrow transplantation to replace blood cells with CCR5-mutated stem cells, gene editing to disrupt the HIV genome, and “Shock and Kill” to reactivate latent HIV followed by an immune clearance. However, high risks and limitations to scale-up in clinics, off-target effects in human genomes or failure to reduce reservoir sizes in patients hampered our current efforts to achieve an HIV cure. This necessitates alternative strategies to control the latent HIV reservoirs. This review will discuss an emerging strategy aimed to deeply silence HIV reservoirs, the development of this concept, its potential and caveats for HIV remission/cure, and prospective directions for silencing the latent HIV, thereby preventing viruses from rebound.

60 APPLIED LIFE SCIENCES↗

Degradation mechanisms of 1.3 μm C-doped quantum dot lasers grown on native substrate

Here, the aim of this paper is to analyse the degradation modes of 1.3 μm InAs quantum dot laser diodes (QD LDs) grown by using carbon as a p-type dopant, as an alternative to beryllium. The devices were stressed at high current densities, to favor the onset of excited-state (ES) emission, and to study the related degradation phenomena. The study of QD LDs is of fundamental importance for the photonic integrated circuits (PICs). The investigation is based on two types of stress tests: 1) a current step stress and 2) a constant current stress. With these experiments we demonstrate that a) the current is a determining factor for the onset of the ES during the operation of such devices. b) the onset of ES is responsible for a rapid quenching of the ground state (GS) emission. c) stress induces a significant increase in the threshold current of the devices, that is ascribed to the lowering of the injection efficiency, which in turn can be explained by the easier escape of carriers from quantum dots (QDs) from ES energy levels. d) the contribution of defects on the optical and electrical degradation is also discussed.

42 ENGINEERING↗

Ku-band electron linac for battery-powered hand-portable 2-MeV X-ray generator

X-ray generators, producing radiation in MeV range, are a critical tool for radiography, non-destructive testing and security applications. Field operation of such source requires them to be hand-portable, autonomous and allow parameter adjustability. RF linear accelerators can serve as a flexible, reliable, and robust radiation generator alternative to dangerous radioisotopes and bulky betatrons that are currently used for field radiography if their size, weight, cost, and imaging performance are matched to these sources. Here, in this paper, we present the design and test results of a 2 MeV Ku-band electron linac for a hand-portable X-ray generator system for field radiography being developed by RadiaBeam. The dramatic scale of miniaturization and cost-reduction is achieved thanks to the implementation of innovative technologies such as air-cooled Ku-band air-traffic control magnetrons, a split accelerating structure fabrication technique, and solid-state Marx modulators. This paper presents the design of the first prototype of the accelerator, its operation from Li-Ion batteries, as well as high-power and beam measurements.

43 PARTICLE ACCELERATORS↗

Human reliability analysis studies from simulator experiments using Bayesian inference

Probabilistic Safety Assessment (PSA) of complex facilities is performed to arrive at the risk posed by them. PSA also accounts for the contribution of the human errors towards the overall risk through Human Reliability Analysis (HRA) in terms of Human Error Probability (HEP). Human operators are part of the system and do not work in isolation. Their performance is influenced by the context in which the actions are performed. As a result, quantification of HEP requires operator performance data under the given context. Some good sources of operator performance data are plant‘s operation data, simulator data and expert judgement. The plant operation data pertaining to HRA is generally sparse. In this situation, a full scope plant simulator provides a good alternative for operator performance data generation. Many of the currently practiced HRA methods have been developed by combining the empirical evidence with expert judgement and contain a lot of uncertainty in their estimates. Bayesian inference is suitable for updating the prior HRA estimates with the simulator evidence to obtain the posterior HEP. Here, posterior HEP has been calculated for postulated accident scenarios in advanced reactor (first of its kind) at design stage, using plant simulator.

97 MATHEMATICS AND COMPUTING↗

Robust Copper-Based Nanosponge Architecture Decorated by Ruthenium with Enhanced Electrocatalytic Performance for Ambient Nitrogen Reduction to Ammonia

Electrochemical conversion of nitrogen to green ammonia is an attractive alternative to the Haber–Bosch process. However, it is currently bottlenecked by the lack of highly efficient electrocatalysts to drive the sluggish nitrogen reduction reaction (N2RR). In this work, we strategically design a cost-effective bimetallic Ru–Cu mixture catalyst in a nanosponge (NS) architecture via a rapid and facile method. The porous NS mixture catalysts exhibit a large electrochemical active surface area and enhanced specific activity arising from the charge redistribution for improved activation and adsorption of the activated nitrogen species. Benefiting from the synergistic effect of the Cu constituent on morphology decoration and thermodynamic suppression of the competing hydrogen evolution reaction, the optimized Ru 0.15 Cu 0.85 NS catalyst presents an impressive N 2 RR performance with an ammonia yield rate of 26.25 μg h –1 mg cat. –1 (corresponding to 10.5 μg h –1 cm –2 ) and Faradic efficiency of 4.39% as well as superior stability in alkaline medium, which was superior to that of monometallic Ru and Cu nanostructures. Additionally, this work develops a new bimetallic combination of Ru and Cu, which promotes the strategy to design efficient electrocatalysts for electrochemical ammonia production under ambient conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Remote Sensing of Droplet Number Concentration in Warm Clouds: A Review of the Current State of Knowledge and Perspectives

Abstract The cloud droplet number concentration ( N d ) is of central interest to improve the understanding of cloud physics and for quantifying the effective radiative forcing by aerosol‐cloud interactions. Current standard satellite retrievals do not operationally provide N d , but it can be inferred from retrievals of cloud optical depth ( τ c ) cloud droplet effective radius ( r e ) and cloud top temperature. This review summarizes issues with this approach and quantifies uncertainties. A total relative uncertainty of 78% is inferred for pixel‐level retrievals for relatively homogeneous, optically thick and unobscured stratiform clouds with favorable viewing geometry. The uncertainty is even greater if these conditions are not met. For averages over 1° ×1° regions the uncertainty is reduced to 54% assuming random errors for instrument uncertainties. In contrast, the few evaluation studies against reference in situ observations suggest much better accuracy with little variability in the bias. More such studies are required for a better error characterization. N d uncertainty is dominated by errors in r e , and therefore, improvements in r e retrievals would greatly improve the quality of the N d retrievals. Recommendations are made for how this might be achieved. Some existing N d data sets are compared and discussed, and best practices for the use of N d data from current passive instruments (e.g., filtering criteria) are recommended. Emerging alternative N d estimates are also considered. First, new ideas to use additional information from existing and upcoming spaceborne instruments are discussed, and second, approaches using high‐quality ground‐based observations are examined.

58 GEOSCIENCES↗

Implementation and analysis of quantum computing application to Higgs boson reconstruction at the large Hadron Collider

With the advent of the High-Luminosity Large Hadron Collider (HL-LHC) era, high energy physics (HEP) event selection will require new approaches to rapidly and accurately analyze vast databases. The current study addresses the enormity of HEP databases in an unprecedented manner—a quantum search using Grover’s Algorithm (GA) on an unsorted database, ATLAS Open Data, from the ATLAS detector. A novel method to identify rare events at 13 TeV in CERN’s LHC using quantum computing (QC) is presented. As indicated by the Higgs boson decay channel H→ZZ*→4l , the detection of four leptons in one event may be used to reconstruct the Higgs boson and, more importantly, evince Higgs boson decay to some new phenomena, such as H→ZZ d →4l . Searching the dataset for collisions resulting in detection of four leptons using a Jupyter Notebook, a classical simulation of GA, and several quantum computers with multiple qubits, the current application was found to make the proper selection in the unsorted dataset. Quantum search efficacy was analyzed for the incoming HL-LHC by implementing the QC method on multiple classical simulators and IBM’s quantum computers with the IBM Qiskit Open Source Software. The current QC application provides a novel, high-efficiency alternative to classical database searches, demonstrating its potential utility as a rapid and increasingly accurate search method in HEP.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Low lattice thermal conductivity in Pb 5 Bi 6 Se 14 , Pb 3 Bi 2 S 6 , and PbBi 2 S 4 : promising thermoelectric materials in the cannizzarite, lillianite, and galenobismuthite homologous series

The thermoelectric properties of Pb5Bi6Se14, a member of the cannizzarite homologous series; Pb3Bi2S6, a member of the lillianite homologous series; and PbBi2S4, a member of the galenobismuthite homologous series were investigated over the temperature range of 300 K to 723 K. The samples were synthesized by a solid state reaction of the binary precursors PbQ and Bi(2)Q(3) (Q = S and Se) in evacuated and sealed quartz tubes, followed by pulsed electric current sintering. The crystal structure of Pb5Bi6Se14 consists of alternating two-dimensional infinite layers of PbSe and Bi2Se3. In the Pb5Bi6Se14 sintered compacts, the ab-plane was preferentially oriented perpendicular to the pressing direction, resulting in highly anisotropic electrical and thermal transport properties. The crystal structure of Pb3Bi2S6 is formed by stacking NaCl-type (Pb/Bi) S layers with a mirror as twinning operation, while that of PbBi2S4 consists of the NaCl-type and Bi2S3-type strips (broken layers) of finite widths. The crystal grains of Pb3Bi2S6 and PbBi2S4 were grown randomly, leading to nearly isotropic electrical and thermal transport properties in the sintered compacts. For all the samples, an n-type degenerate semiconductor-like behavior was found, providing a notable thermoelectric power factor of similar to 3.0 mu W K-2 cm(-1) at 705 K for Pb5Bi6Se14, similar to 2.4 mu W K-2 cm(-1) at 715 K for Pb3Bi2S6, and similar to 2.6 mu W K-2 cm(-1) at 515 K for PbBi2S4 in a direction perpendicular to the pressing direction. Moreover, these materials exhibited effective phonon scattering, presumably at the interfaces between the layers, leading to extremely low lattice thermal conductivity in the range of 0.29 W K-1 m(-1) to 0.80 W K-1 m(-1) over the temperature range of 300 K to 723 K. The highest ZT of similar to 0.46 at 705 K was observed in Pb5Bi6Se14 for the ab-plane direction.

Ohta, Michihiro↗

TSDC and X-ray diffraction analysis of pure and malachite green sensitized polyvinyl carbazole films

This paper describes the method for investigating the electrical properties of high solids via the study of thermal relaxation effects and offers an alternative scheme to the conventional bridge methods or the current voltage temperature measurements. For standard TSD experiment, this is comparable to a dielectric loss measurement, the low equivalent frequency and high sensitivity (ability to detect dipole concentration). The activation energies found by initial rise method are 0.31 {+-} 0.02 eV for pure and 0.43 {+-} 0.03 eV for malachite green sensitized PVK thermoelectrets. The peak current charges and activation energy associated with the peaks are affected by concentration of malachite green and have been explained in terms of formation of charge transfer complexes and molecular aggregates. The microscopic origin of a given current spectrum is explained by comparing the predictions of the general theories regarding the main polarization processes with the experimental data.

36 MATERIALS SCIENCE↗

An experimental setup for the simultaneous measurement of thermoelectric power of two samples from 77 K to 500 K

We report on an experimental setup for the simultaneous measurement of the thermoelectric power (TEP) of two samples in the temperature range from 77 K to 500 K using optimum electronic instruments. The setup consists of two rectangular copper bars in a bridge arrangement for sample mounting, two surface mount (SM) chip resistors for creating alternate temperature gradient, and a type E thermocouple in differential geometry for gradient temperature (ΔT) measurement across the samples. In addition, a diode arrangement has been made for the alternate heating of SM resistors using only one DC current source. The measurement accuracy of ΔT increases with the differential thermocouple arrangement. For the calibration of the setup, measurements of TEP on a high purity (99.99%) platinum wire and type K thermocouple wires Chromel and Alumel have been performed from 77 K to 500 K with respect to copper lead wires. Additionally, this setup can be utilized to calibrate an unknown sample against a sample of known absolute TEP.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Nonlinear plasma experiments in geospace with gigawatts of RF power at HAARP

The ionosphere is the ionized uppermost layer of our atmosphere (from 70 – 500 km altitude) where free electron densities yield peak critical frequencies in the HF (3 – 30 MHz) range. The ionosphere thus provides a quiescent plasma target, stable on timescales of minutes, for a whole host of active plasma experiments. High power RF experiments on ionospheric plasma conducted in the U.S. have been reported since 1970. The largest HF transmitter built to date is the HAARP phased-array HF transmitter near Gakona, Alaska which can deliver up to 3.6 Gigawatts (ERP) of CW RF power in the range of 2.8 – 10 MHz to the ionosphere with microsecond pointing, power modulation, and frequency agility. With an ionospheric background thermal energy in the range of only 0.1 eV, this amount of power gives access to the highest regimes of the nonlinearity (RF intensity to thermal pressure) ratio. HAARP’s unique features have enabled the conduct of a number of unique nonlinear plasma experiments in the interaction region of overdense ionospheric plasma including generation of artificial aurorae, artificial ionization layers, VLF wave-particle interactions in the magnetosphere, parametric instabilities, stimulated electromagnetic emissions (SEE), strong Langmuir turbulence (SLT) and suprathermal electron acceleration. Diagnostics include the Modular UHF Ionospheric Radar (MUIR) sited at HAARP, the SuperDARN-Kodiak HF radar, spacecraft radio beacons, HF receivers to record stimulated electromagnetic emissions (SEE) and telescopes and cameras for optical emissions. We report on short timescale ponderomotive overshoot effects, artificial field-aligned irregularities (AFAI), the aspect angle dependence of the intensity of the HF-enhanced plasma line, and production of suprathermal electrons. One of the primary missions of HAARP, has been the generation of ELF (300 – 3000 Hz) and VLF (3 – 30 kHz) radio waves which are guided to global distances in the Earth-ionosphere waveguide. We review recent efforts to improve the efficiency of the generation ELF/VLF and develop alternative mechanisms that do not require a natural ionospheric current. Applications include the controlled study of ionospheric irregularities affecting spacecraft communication and navigation systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Towards a Heterogeneous, Polystore-like Data Architecture for the US Department of Veteran Affairs (VA) Enterprise Analytics

The Polystore architecture revisits the federated approach to access and querying of the standalone, independent databases in the uniform and optimized fashion, but this time in the context of heterogeneous data and specialized analyses. In the light of this architectural philosophy, and in the light of the major data architecture development efforts at the US Department of Veterans Administration (VA), we discuss the need for the heterogeneous data store consisting of the large relational data warehouse, an image and text datastore, and a peta-scale genomic repository. The VA's heterogeneous datastore would, to a larger or smaller degree, follow the architectural blueprint proposed by the polystore architecture. To this end, we discuss the current state of the data architecture at VA, architectural alternatives for development of the heterogeneous datastore, the anticipated challenges, and the drawbacks and benefits of adopting the polystore architecture.

Federated Databases↗

A Parameterization of the Cloud Scattering Polarization Signal Derived From GPM Observations for Microwave Fast Radative Transfer Models

Microwave cloud polarized observations have shown the potential to improve precipitation retrievals since they are linked to the orientation and shape of ice habits. Stratiform clouds show larger brightness temperature (TB) polarization differences (PDs), defined as the vertically polarized TB (TBV) minus the horizontally polarized TB (TBH), with ~10 K PD values at 89 GHz due to the presence of horizontally aligned snowflakes, while convective regions show smaller PD signals, as graupel and/or hail in the updraft tend to become randomly oriented. The launch of the global precipitation measurement (GPM) microwave imager (GMI) has extended the availability of microwave polarized observations to higher frequencies (166 GHz) in the tropics and midlatitudes, previously only available up to 89 GHz. This study analyzes one year of GMI observations to explore further the previously reported stable relationship between the PD and the observed TBs at 89 and 166 GHz, respectively. The latitudinal and seasonal variability is analyzed to propose a cloud scattering polarization parameterization of the PD-TB relationship, capable of reconstructing the PD signal from simulated TBs. Given that operational radiative transfer (RT) models do not currently simulate the cloud polarized signals, this is an alternative and simple solution to exploit the large number of cloud polarized observations available. Finally, the atmospheric radiative transfer simulator (ARTS) is coupled with the weather research and forecasting (WRF) model, in order to apply the proposed parameterization to the RT simulated TBs and hence infer the corresponding PD values, which show to reproduce the observed GMI PDs well.

54 ENVIRONMENTAL SCIENCES↗

Technoeconomic feasibility of photovoltaic recycling

Abstract Photovoltaic (PV) modules are a key technology to aid the imminent transition from carbon‐based energy. End‐of‐life crystalline silicon PV modules produce a waste stream that is predominantly landfilled due to the recycling challenges associated with PV reuse economics. Current practices recycle the aluminum frame and repurpose the junction box but landfill the rest of the module. The primary challenge in recycling the remaining module is finding a technoeconomically viable method for separating the silicon and glass from the ethylene vinyl acetate (EVA) layers. This issue will rapidly expand with time as it is estimated that flat glass production for solar panels is currently unable to meet the demand for PV. Current literature suggests that chemical, thermal, and mechanical delamination offer economically feasible solutions under ideal circumstances. In this work we evaluate these methods using end‐of‐life panels and assess the economic viability. The technoeconomic study presented here suggests the most economically viable option for disposing of end‐of‐life solar panels, given current technology, is landfilling. Thermal delamination may offer an alternative route in the future. Financial incentives, which can be quantified with this work, may be required to kickstart PV recycling to help bridge externalities around environmental impact.

Crespo, Beatrice↗

Evaluating IMRT and VMAT dose accuracy: Practical examples of failure to detect systematic errors when applying a commonly used metric and action levels

Purpose: This study (1) examines a variety of real-world cases where systematic errors were not detected by widely accepted methods for IMRT/VMAT dosimetric accuracy evaluation, and (2) drills-down to identify failure modes and their corresponding means for detection, diagnosis, and mitigation. The primary goal of detailing these case studies is to explore different, more sensitive methods and metrics that could be used more effectively for evaluating accuracy of dose algorithms, delivery systems, and QA devices.Methods: The authors present seven real-world case studies representing a variety of combinations of the treatment planning system (TPS), linac, delivery modality, and systematic error type. These case studies are typical to what might be used as part of an IMRT or VMAT commissioning test suite, varying in complexity. Each case study is analyzed according to TG-119 instructions for gamma passing rates and action levels for per-beam and/or composite plan dosimetric QA. Then, each case study is analyzed in-depth with advanced diagnostic methods (dose profile examination, EPID-based measurements, dose difference pattern analysis, 3D measurement-guided dose reconstruction, and dose grid inspection) and more sensitive metrics (2% local normalization/2 mm DTA and estimated DVH comparisons).Results: For these case studies, the conventional 3%/3 mm gamma passing rates exceeded 99% for IMRT per-beam analyses and ranged from 93.9% to 100% for composite plan dose analysis, well above the TG-119 action levels of 90% and 88%, respectively. However, all cases had systematic errors that were detected only by using advanced diagnostic techniques and more sensitive metrics. The systematic errors caused variable but noteworthy impact, including estimated target dose coverage loss of up to 5.5% and local dose deviations up to 31.5%. Types of errors included TPS model settings, algorithm limitations, and modeling and alignment of QA phantoms in the TPS. Most of the errors were correctable after detection and diagnosis, and the uncorrectable errors provided useful information about system limitations, which is another key element of system commissioning.Conclusions: Many forms of relevant systematic errors can go undetected when the currently prevalent metrics for IMRT/VMAT commissioning are used. If alternative methods and metrics are used instead of (or in addition to) the conventional metrics, these errors are more likely to be detected, and only once they are detected can they be properly diagnosed and rooted out of the system. Removing systematic errors should be a goal not only of commissioning by the end users but also product validation by the manufacturers. For any systematic errors that cannot be removed, detecting and quantifying them is important as it will help the physicist understand the limits of the system and work with the manufacturer on improvements. In summary, IMRT and VMAT commissioning, along with product validation, would benefit from the retirement of the 3%/3 mm passing rates as a primary metric of performance, and the adoption instead of tighter tolerances, more diligent diagnostics, and more thorough analysis.

61 RADIATION PROTECTION AND DOSIMETRY↗