Technology Commercialization Fund (TCF): Hydrogen Contaminant Detector (HCD) (Slides)
Abstract not provided.
08 HYDROGEN↗
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Hydrogen Contaminant Detector Transition to Production (HCD-TTP II)
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Moscoso, Jerome↗
Auto-adaptive Harris corner detection algorithm based on entropy-improved block processing
Extracting well distributed control points (CPs) is a very challenging task for remote sensing image registration, particularly for large high-resolution images over heterogeneous landscape. Based on image analysis such as edge detection, corner detection, and information theory, a new CP detection approach is proposed to select high- quality, evenly distributed CPs. The Entropy-Block-Based variant of the Harris Corner Detector (EBB-HCD) is achieved by dividing the image into blocks and by allocating the number of CP's based upon the entropy of each block. While the block-based strategy improves the CP balance problem, a factor calculated from entropy avoids overdetection. We conducted a comparison study utilizing the well-known Harris Corner Detector (HCD) and an implementation of the Block-Based Harris Corner Detector (BB-HCD). Experimental results indicate that using EBB-HCD to find the CPs improves the overall alignment accuracy during registration compared with HCD or BB-HCD.
Sun, Yihang↗
Top-Down Analysis of Proteins in Low Charge States
The impact of charging methods on the dissociation behavior of intact proteins in low charge states is investigated using HCD and 193 nm UVPD. Low charge states are produced for seven different proteins using the following four different methods: (1) proton transfer reactions of ions in high charge states generated from conventional denaturing solutions; (2) ESI of proteins in solutions of high ionic strength to enhance retention of folded native-like conformations; (3) ESI of proteins in high pH solutions to limit protonation; and (4) ESI of carbamylated proteins. Comparison of sequence coverages, degree of preferential cleavages, and types and distribution of fragment ions reveals a number of differences in the fragmentation patterns depending on the method used to generate the ions. More notable differences in these metrics are observed upon HCD than upon UVPD. The fragmentation caused by HCD is influenced more significantly by the presence/absence of mobile protons, a factor that modulates the degree of preferential cleavages and net sequence coverages. Carbamylation of the lysines and the N-terminus of the proteins alters the proton mobility by reducing the number of proton-sequestering, highly basic sites as evidenced by decreased preferential fragmentation C-terminal to Asp or N-terminal to Pro upon HCD. UVPD is less dependent on the method used to generate the low charge states and favors non-specific fragmentation, an outcome which is important for obtaining high sequence coverage of intact proteins. .
74 ATOMIC AND MOLECULAR PHYSICS↗
Native Top-Down Mass Spectrometry Characterization of Model Integral Membrane Protein Bacteriorhodopsin
Bacteriorhodopsin (bR) from Halobacterium salinarum has been a model system for structural biology and is a structural template for the characterization of membrane G-protein couple receptors (GPCRs) in particular. Here, in this study, wild-type bacteriorhodopsin and two single-residue mutants were characterized by native top-down mass spectrometry (nTD-MS) with Orbitrap-based high-energy collision dissociation (HCD) and electron capture dissociation (ECD). After in-source dissociation ejected the membrane protein from detergent micelles, high-resolution native MS measurement allowed for identification of multiple proteoforms as well as lipid-bound forms. Further top-down MS measurements by HCD produced a large number of product ions for in-depth sequencing and unambiguous localization of post-translational modifications. For the first time, native TD-MS with ECD was used to characterize an integral membrane protein. ECD yielded fragments originating from all helices and loop regions, even accessing a sequence stretch that HCD could not. Combining HCD and ECD fragmentation patterns significantly enhanced the sequence coverage of bR. We propose bR to be a model analyte for testing nTD-MS performance for membrane proteins.
crystal cleavage↗
Oak Ridge National Laboratory Office of International Nuclear Safeguards: Human Capital Development Activity in FY16
In 2007, the U.S. Department of Energy National Nuclear Security Administration (DOE NNSA) Office of Nonproliferation and Arms Control (NPAC) completed a comprehensive review of the current and potential future challenges facing the international safeguards system. One of the report’s key recommendations was for DOE NNSA to launch a major new program to revitalize the international safeguards technology and human resource base. In 2007, at the International Atomic Energy Agency (IAEA) General Conference, then Secretary of Energy Samuel W. Bodman announced the newly created Next Generation Safeguards Initiative (NGSI). NGSI consists of five program elements: policy development and outreach, concepts and approaches, technology and analytical methodologies, human capital development (HCD), and infrastructure development. This report addresses the HCD component of NGSI. The goal of the HCD component as defined in the NNSA Program Plan is “to revitalize and expand the international safeguards human capital base by attracting and training a new generation of talent.” The major objectives listed in the HCD goal include education and training, outreach to universities and professional societies, postdoctoral appointments, and summer internships at national laboratories.
98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
High-resolution ultrahigh-pressure long column reversed-phase liquid chromatography for top-down proteomics
We report development of an approach providing high-resolution RPLC of proteins and its utility for mass spectrometry-based top-down proteomics. A chromatographic peak capacity of ~450 was achieved for proteins and large polypeptides having MWs up to 43 kDa in the context of proteomics applications. RPLC column lengths from 20 to 200 cm, particle sizes from 1.5 to 5 m, bonding alkyl chains from C1 to C2, C4, C8, and C18, and particle surface structures that spanned porous, superficially porous (porous shell, core-shell), and nonporous were investigated at pressures up to14K psi. Column length was found as the most important factor for >20 kDa proteins in gradient RPLC, and shortening column length degraded RPLC resolution and sensitivity regardless of the size and surface structure of the packing particles used. The alkyl chains bonded to the silica particle surface significantly affected the RPLC recovery and efficiency, and short alkyl C1-C4 phases provided higher sensitivity and resolution than C8 and C18 phases. Long gradient separations (e.g., >10 hours) with long columns (e.g., 100 cm) were particularly effective in conjunction with use of high accuracy mass spectrometers (e.g., the Orbitrap Elite) for top-down proteomics with improved proteoform coverage by allowing multiple HCD, CID, and ETD dissociation modes. It was also found that HCD produced small fragments useful for proteoform identification, while low energy CID and ETD often complemented HCD by providing large fragments.
columns and stationary phases↗
Numerical simulation of the sustaining discharge in radio frequency hollow cathode discharge in argon
In this paper, a two-dimensional fluid model was developed to study the radio frequency (RF) hollow cathode discharge (HCD) in argon at 1 Torr. The evolutions of the particle density distribution and the ionization rate distribution in RF HCD at 13.56 MHz indicate that the discharge mainly occurs inside the hollow cathode. The spatio-temporal distributions of the ionization rate and the power deposition within the hollow cathode imply that sheath oscillation heating is the primary mechanism to sustain the RF HCD, whereas secondary electron emission plays a negligible role. However, as driving frequency decreases, secondary electron heating becomes a dominant mechanism to sustain the discharge in RF hollow cathode.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Trap state passivation improved hot-carrier instability by zirconium-doping in hafnium oxide in a nanoscale n-metal-oxide semiconductor-field effect transistors with high-k/metal gate
This work investigates the effect on hot carrier degradation (HCD) of doping zirconium into the hafnium oxide high-k layer in the nanoscale high-k/metal gate n-channel metal-oxide-semiconductor field-effect-transistors. Previous n-metal-oxide semiconductor-field effect transistor studies demonstrated that zirconium-doped hafnium oxide reduces charge trapping and improves positive bias temperature instability. In this work, a clear reduction in HCD is observed with zirconium-doped hafnium oxide because channel hot electron (CHE) trapping in pre-existing high-k bulk defects is the main degradation mechanism. However, this reduced HCD became ineffective at ultra-low temperature, since CHE traps in the deeper bulk defects at ultra-low temperature, while zirconium-doping only passivates shallow bulk defects.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Development of ITER non-activation phase operation scenarios
Non-activation phase operations in ITER in hydrogen (H) and helium (He) will be important for commissioning of tokamak systems, such as diagnostics, heating and current drive (HCD) systems, coils and plasma control systems, and for validation of techniques necessary for establishing operations in DT. The assessment of feasible HCD schemes at various toroidal fields (2.65–5.3 T) has revealed that the previously applied assumptions need to be refined for the ITER non-activation phase H/He operations. A study of the ranges of plasma density and profile shape using the JINTRAC suite of codes has indicated that the hydrogen pellet fuelling into He plasmas should be utilized taking the optimization of IC power absorption, neutral beam shine-through density limit and H-mode access into account. The EPED1 estimation of the edge pedestal parameters has been extended to various H operation conditions, and the combined EPED1 and SOLPS estimation has provided guidance for modelling the edge pedestal in H/He operations. The availability of ITER HCD schemes, ranges of achievable plasma density and profile shape, and estimation of the edge pedestal parameters for H/He plasmas have been integrated into various time-dependent tokamak discharge simulations. In this paper, various H/He scenarios at a wide range of plasma current (7.5–15 MA) and field (2.65–5.3 T) have been developed for the ITER non-activation phase operation, and the sensitivity of the developed scenarios to the used assumptions has been investigated to provide guidance for further development.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Carbon Support Microstructure Impact on High Current Density Transport Resistances in PEMFC Cathode
Cell voltages at high current densities (HCD) of an operating proton-exchange membrane fuel cell (PEMFC) cathode suffer from losses due to the local-O 2 and bulk-H + transport resistances in the catalyst layer. Particularly, the microstructure of high surface area carbon (HSC) support upon which both the platinum catalyst and ionomer are dispersed play a pivotal role in controlling the reactant transport to the active site in the catalyst layer. In this study, we perform a systematic analysis of the underlying microstructure of platinum-cobalt catalyst dispersed on various HSC supports in terms of their surface area and pore-size distribution. The carbon microstructure was found to strongly influence the PtCo nanoparticle dispersion, catalyst layer ionomer distribution and transport losses governing the performance at HCD. Catalyst layer electrochemical diagnostics carried out to quantify local-O 2 transport resistance and bulk-H + transport resistance in the cathode were found to be directly correlated to the micropore (<2 nm) and macropore (>8 nm) surface areas of the carbon support, respectively. Finally, a 1D-performance model has been developed to assimilate our understanding of the catalyst layer microstructure and transport resistances at HCD.
25 ENERGY STORAGE↗
Development of an Electrochemical Hydrogen Contaminant Detector
Hydrogen refueling stations (HRSs) that dispense hydrogen to fuel cell vehicles need to ensure the quality of hydrogen to avoid contamination of the vehicle’s expensive fuel cell stacks. Currently, stations verify their fuel quality only periodically to ensure that they meet the strict fuel quality standards specified by either International Organization for Standards (ISO) or Society for Automotive Engineers (SAE). The development of hydrogen contaminant detectors (HCDs) that can provide low cost continuous monitoring at the HRS can be an invaluable asset in protecting fuel cell vehicles from any fuel contamination in-between infrequent expensive analysis of hydrogen fuel quality. An HCD capable of detecting < 200 ppb of CO in hydrogen is presented in this paper. The HCD is based on an electrochemical hydrogen pumping cell whose ultra-low loaded working electrode is poisoned by the contaminant, thus reducing its hydrogen oxidation reaction rate. The hydrogen pumping cell consists of a Nafion® membrane, a sputtered Pt working electrode, a Pt/Ru counter/pseudo-reference electrode and an internal water wicking system that provides humidification to the membrane and electrodes. When this HCD is operated in a pulsed voltammetry mode, it can provide stable CO response for thousands of hours in a HRS.
47 OTHER INSTRUMENTATION↗
Heavy Duty Hydrogen: Reference Station, Fueling Performance Test Device Concepts, and Station Capacity Model (CRADA Final Report)
This project will provide valuable information on (1) reference station design, (2) exploration of design concepts for a fueling performance test device, and (3) modeling of station capacity. The work applies to heavy-duty (HD) hydrogen fueling stations with large dispensing capacity and high flowrates servicing HD hydrogen trucks such as class 8 trucks in long haul applications. Additionally, a 4th area will provide near-real-time verification of fuel quality with on-site hydrogen contaminant detectors (HCDs) for use at both light-duty (LD) and HD stations. The work leverages national lab capabilities including staff and equipment at SNL, NLR, and ANL with collaboration and funding cost share from California agencies (CEC, SCAQMD, and GO-Biz). This project will provide tools and information that lead to more efficient design, acceptance, and commissioning of these larger capacity, higher flowrate stations serving HD applications. The HCD work will benefit both LD and HD stations. Note: The 4th area (HCD) mentioned above continued outside of this CRADA and will not be included in this report. There are no tasks included in this CRADA for HCD and the summary text for it should have been removed prior to this CRADA contract execution but remained in error and is included here for completeness.
08 HYDROGEN↗
Expediting SRM assay development for large-scale targeted proteomics experiments
Due to their high sensitivity and specificity, targeted proteomics measurements, e.g. selected reaction monitoring (SRM), are becoming increasingly popular for biological and translational applications. Selection of optimal transitions and optimization of collision energy (CE) are important assay development steps for achieving sensitive detection and accurate quantification; however, these steps can be labor-intensive, especially for large-scale applications. Herein, we explored several options for accelerating SRM assay development evaluated in the context of a relatively large set of 215 synthetic peptide targets. We first showed that HCD fragmentation is very similar to CID in triple quadrupole (QQQ) instrumentation, and by selection of top six y fragment ions from HCD spectra, >86% of top transitions optimized from direct infusion on QQQ instrument are covered. We also demonstrated that the CE calculated by existing prediction tools was less accurate for +3 precursors, and a significant increase in intensity for transitions could be obtained using a new CE prediction equation constructed from the present experimental data. Overall, our study illustrates the feasibility of expediting the development of larger numbers of high-sensitivity SRM assays through automation of transitions selection and accurate prediction of optimal CE to improve both SRM throughput and measurement quality.
59 BASIC BIOLOGICAL SCIENCES↗
Direct Integration of Strained-Pt Catalysts into Proton-Exchange-Membrane Fuel Cells with Atomic Layer Deposition
The design and fabrication of lattice-strained platinum catalysts achieved by removing a soluble core from a platinum shell synthesized via atomic layer deposition, is reported. The remarkable catalytic performance for the oxygen reduction reaction (ORR), measured in both half-cell and full-cell configurations, is attributed to the observed lattice strain. By further optimizing the nanoparticle geometry and ionomer/carbon interactions, mass activity close to 0.8 A mg Pt -1 @0.9 V iR-free is achievable in the membrane electrode assembly. Nevertheless, active catalysts with high ORR activity do not necessarily lead to high performance in the high-current-density (HCD) region. More attention shall be directed toward HCD performance for enabling high-power-density hydrogen fuel cells.
25 ENERGY STORAGE↗
Automated Label‐Free Assay for Viral Detection and Inhibitor Screening via Biomembrane‐Functionalized Microelectrode Arrays
Most virus infection assays have indirect readout such as virus number following entry (e.g., PCR, cell lysis). While effective, these technologies are labor‐intensive, require specialized environments (e.g., sterile or RNA‐free), and detect later‐stage viral events like lysis or cell death, lacking sensitivity to early fusion events. To address these limitations, we present biologically relevant 2D membrane materials, host‐cell‐derived supported lipid bilayers (hcd‐SLBs), integrated with organic microelectrode arrays (OMEAs) for detection of severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) fusion. By overexpressing angiotensin‐converting enzyme 2 (ACE2) receptors on the native membranes, the platform functions as a viral sensor capable of detecting virus pseudo particles (VPPs) through the late pathway. Additionally, hcd‐SLBs extracted from human lung epithelium expressing native ACE2 detect fusion events through the early pathway. The platform's utility as a drug‐screening tool is demonstrated by testing antibodies targeting either the ACE2 on the host membrane or the viral spike (S) proteins. To enhance the throughput, microfluidics are integrated for automation and OMEAs are incorporated within each channel, miniaturizing the testing units. This system supports high‐throughput data generation, automation, and scalability, providing an efficient platform for viral fusion detection that advances the study of pathogen‐host interactions and accelerates antiviral drug discovery.
Biology↗