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At least 55 records · Page 3

Applications of mass spectrometry-based targeted and non-targeted lipidomics

Highlights: • Advances in mass spectrometry have expanded our knowledge of lipids. • Targeted and non-targeted lipidomics are powerful strategies with distinct features. • We briefly review the applications of these lipidomics strategies in lipid research. • Current limitations and challenges in lipidomics are also discussed. Recent advances in mass spectrometry have expanded our knowledge of lipids and lipid metabolic pathways involved in many (patho)physiological events. Targeted and non-targeted lipidomics are powerful analytical strategies with distinct features, and a combination of these two approaches is often employed to maximize the coverage of lipid species detected and quantified in complex biological matrices. This review briefly summarizes the applications of targeted and non-targeted lipidomics, mainly focusing on electrospray ionization–liquid chromatography–tandem mass spectrometry (ESI–LC–MS/MS), along with recent technical advances in the field. Current limitations and challenges in lipidomics and possible solutions are also discussed.

60 APPLIED LIFE SCIENCES↗

Coupled beam-target-moderator optimization for the Second Target Station

To support the design of the Second Target Station, that aims to provide the world’s highest peak brightness of cold neutrons, studies that optimize the dimensions of the target and moderators are invaluable. In this work, we investigate the influence of the target dimensions and beam profile on the performance and optimal size of the moderators. We perform optimization runs with detailed MCNP6.2 simulations using high-fidelity unstructured mesh geometries generated from parametrized CAD models. We demonstrate that small changes in target height do not influence the moderator performance if the beam dimensions are chosen adequately. We quantify the effect of beam footprint and target width on the moderator performance and show that the optimal moderator dimensions are insensitive to limited changes in target and beam profile.

Dakota↗

Design of protein-binding proteins from the target structure alone

The design of proteins that bind to a specific site on the surface of a target protein using no information other than the three-dimensional structure of the target remains a challenge. Here we describe a general solution to this problem that starts with a broad exploration of the vast space of possible binding modes to a selected region of a protein surface, and then intensifies the search in the vicinity of the most promising binding modes. We demonstrate the broad applicability of this approach through the de novo design of binding proteins to 12 diverse protein targets with different shapes and surface properties. Biophysical characterization shows that the binders, which are all smaller than 65 amino acids, are hyperstable and, following experimental optimization, bind their targets with nanomolar to picomolar affinities. We succeeded in solving crystal structures of five of the binder–target complexes, and all five closely match the corresponding computational design models. Experimental data on nearly half a million computational designs and hundreds of thousands of point mutants provide detailed feedback on the strengths and limitations of the method and of our current understanding of protein–protein interactions, and should guide improvements of both. Our approach enables the targeted design of binders to sites of interest on a wide variety of proteins for therapeutic and diagnostic applications.

59 BASIC BIOLOGICAL SCIENCES↗

Conceptual moderator studies for the Spallation Neutron Source short-pulse second target station

Candidate moderator configurations for a short-pulse second target station (STS) at the Oak Ridge National Laboratory Spallation Neutron Source (SNS) have been identified using a global optimizer framework built around the MCNPX particle transport code. Neutron brightness metrics were selected as the figure-of-merit. We assumed that STS would use one out of six proton pulses produced by an SNS accelerator upgraded to operate at 1.3 GeV proton energy, 2.8 MW power and 60 Hz repetition rate. The simulations indicate that the peak brightness can be increased by a factor of 5 and 2.5 on a per proton pulse basis compared to the SNS first target station for both coupled and decoupled para-hydrogen moderators, respectively. Additional increases by factors of 3 and 2 were demonstrated for coupled and decoupled moderators, respectively, by reducing the area of neutron emission from 100 × 100 mm{sup 2} to 20 × 20 mm{sup 2}. This increase in brightness has the potential to translate to an increase of beam intensity at the instruments’ sample positions even though the total neutron emission of the smaller moderator is less than that of the larger. This is especially true for instruments with small samples (beam dimensions). The increased fluxes in the STS moderators come at accelerated poison and de-coupler burnout and higher radiation-induced material damage rates per unit power, which overall translate into lower moderator lifetimes. A first effort was undertaken to group decoupled moderators into a cluster collectively positioning them at the peak neutron production zone in the target and having a three-port neutron emission scheme that complements that of a cylindrical coupled moderator.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Measurement of target and double-spin asymmetries for the $\vec e\vec p\to e\pi^+ (n)$ reaction in the nucleon resonance region at low $Q^2$

We report measurements of target- and double-spin asymmetries for the exclusive channel $\vec e\vec p\to e\pi^+ (n)$ in the nucleon resonance region at Jefferson Lab using the CEBAF Large Acceptance Spectrometer (CLAS). These asymmetries were extracted from data obtained using a longitudinally polarized NH$_3$ target and a longitudinally polarized electron beam with energies 1.1, 1.3, 2.0, 2.3 and 3.0 GeV. The new results are consistent with previous CLAS publications but are extended to a low $Q^2$ range from $0.0065$ to $0.35$ (GeV$/c$)$^2$. The $Q^2$ access was made possible by a custom-built Cherenkov detector that allowed the detection of electrons for scattering angles as low as $6^\circ$. These results are compared with the unitary isobar models JANR and MAID, the partial-wave analysis prediction from SAID and the dynamic model DMT. In many kinematic regions our results, in particular results on the target asymmetry, help to constrain the polarization-dependent components of these models.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Beam-target double-spin asymmetry in quasielastic electron scattering off the deuteron with CLAS

The deuteron plays a pivotal role in nuclear and hadronic physics, as both the simplest bound multinucleon system and as an effective neutron target. Quasielastic electron scattering on the deuteron is a benchmark reaction to test our understanding of deuteron structure and the properties and interactions of the two nucleons bound in the deuteron. The experimental data presented here can be used to test state-of-the-art models of the deuteron and the two-nucleon interaction in the final state after two-body breakup of the deuteron. Focusing on polarization degrees of freedom, we gain information on spin-momentum correlations in the deuteron ground state (due to the D-state admixture) and on the limits of the impulse approximation (IA) picture as it applies to measurements of spin-dependent observables like spin structure functions for bound nucleons. Information on this reaction can also be used to reduce systematic uncertainties on the determination of neutron form factors or deuteron polarization through quasielastic polarized electron scattering. Furthermore, we measured the beam-target double-spin asymmetry (A || ) for quasielastic electron scattering off the deuteron at several beam energies (1.6–1.7, 2.5, 4.2, and 5.6–5.8GeV), using the CEBAF Large Acceptance Spectrometer (CLAS) at the Thomas Jefferson National Accelerator Facility. The deuterons were polarized along (or opposite to) the beam direction. The double-spin asymmetries were measured as a function of photon virtuality Q 2 (0.13–3.17(GeV/c) 2 ), missing momentum (p m =0.0–0.5GeV/c), and the angle between the (inferred) spectator neutron and the momentum transfer direction (θ nq ). We compare our results with a recent model that includes final-state interactions (FSI) using a complete parametrization of nucleon-nucleon scattering, as well as a simplified model using the plane wave impulse approximation (PWIA). We find overall good agreement with both the PWIA and FSI expectations at low to medium missing momenta (p m ≤0.25GeV/c), including the change of the asymmetry due to the contribution of the deuteron D state at higher momenta. At the highest missing momenta, our data clearly agree better with the calculations including FSI. Final-state interactions seem to play a lesser role for polarization observables in deuteron two-body electrodisintegration than for absolute cross sections. Our data, while limited in statistical power, indicate that PWIA models work reasonably well to understand the asymmetries at lower missing momenta. In turn, this information can be used to extract the product of beam and target polarization (P b P t ) from quasielastic electron-deuteron scattering, which is useful for measurements of spin observables in electron-neutron inelastic scattering. But, at the highest missing (neutron) momenta, FSI effects become important and must be accounted for.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Sputter coating of Nb₃Sn into SRF cavity using stoichiometric target

Nb₃Sn has emerged as a leading alternative material due to its higher superconducting critical temperature (Tc) and superheating field (Hsh), promising a viable solution to the intrinsic performance limit currently faced by Nb superconducting radiofrequency (SRF) cavities. We sputter-coated Nb₃Sn inside Nb SRF cavity using a stoichiometric Nb₃Sn tube target in a DC cylindrical magnetron sputter coater. The target was fabricated by growing an estimated >20 μm thick Nb₃Sn layer on a Nb tube via Sn vapor diffusion using Jefferson Lab’s coating system. Approximately 150 nm thick Nb-Sn films were sputter-deposited onto flat Nb samples at positions representing the beam tubes and equator of a 2.6 GHz Nb cavity. Post-deposition annealing at 950 °C for 3 h resulted in the formation of Nb₃Sn. Microstructural analysis of the annealed films was carried out to investigate the morphology and structure of the Nb₃Sn films. Later, a 2.6 GHz Nb SRF cavity was coated with a ~1.2 μm thick sputtered Nb-Sn film using a stoichiometric Nb₃Sn target, followed by annealing. Cryogenic RF testing of the annealed cavity demonstrated a Tc of 17.8 K, indicating the formation of Nb₃Sn. After a light Sn recoating treatment, the cavity achieved a quality factor (Q0) of 6.7E+08 at lower field at 2.0 K.

Accelerator Physics↗

Multiple target tracking and target attitude determination with a scanning laser radar

A scanning laser radar that can acquire and track single or multiple targets has recently been developed. Scan patterns have been designed for acquisition and tracking of one or more targets using a narrow laser beam. A synchronously scanned transmitter-receiver is used to acquire and track targets anywhere in a 376 x 376 element raster covering a 30 x 30 deg field. All scan patterns are electronically programmed, and the system automatically acquires and tracks the target or targets without the aid of an operator. The maximum tracking rate is 1.0 deg/sec (10.0 deg/sec) when used with a 1 kHz (10 kHz) scan rate. The estimated free space range against passive cooperative targets (corner cube reflectors) is 30 nautical miles. The laser radar has an accuracy of 10 cm (range) and 0.05 deg (angle). The developmental system is relatively small (1.5 cu ft), lightweight (60 lbs) and low-power-consuming (60 W).

Flom, T.↗

Target development using the method of High-Intensity Vibrational Powder Plating (HIVIPP) at the Center for Accelerator Target Science (CATS) at Argonne National Laboratory (ANL)

One of the primary goals of the Center for Accelerator Target Science (CATS) is to provide targets and foils in support of the ATLAS User Facility and the Low-Energy community at large. While a wide array of target production techniques are available at CATS, new methods that must be explored invariably arise. One such technique, the High-Intensity Vibrational Powder Plating (HIVIPP), was first reported in 1997 by Isao Sugai. It was developed to produce targets and stripper foils that were difficult to make by standard methods. At Argonne National Laboratory (ANL), we have successfully constructed and tested a simple system for this purpose. We have produced targets of carbon and titanium on various metal backings using the HIVIPP method. We are currently in the exciting phase of exploring the production of other elements, including isotopically enriched and radioactive material. This work is in progress and will be further detailed with specific examples.

47 OTHER INSTRUMENTATION↗

Spatial–spectral Schroedinger embedding for target detection in hyperspectral imagery

In this work, the Schroedinger eigenmaps (SE) algorithm using spatial and spectral information has been applied to supervised classification of hyperspectral imagery (HSI). We have previously introduced the use of SE in spectral target detection problems. The original SE-based target detector was built on the spectral information encoded in the Laplacian and Schroedinger operators. The original SE-based detector is extended such that spatial connectivity of target-like pixels is explored and encoded into the Schroedinger operator using a “knowledge propagation” scheme. The modified SE-based detector is applied to two HSI data sets that share similar target materials. Receiver operating characteristic curves and rates of detection and false alarm at object level are used as quantitative metrics to assess the detector. In addition, the Schroedinger embedding performance in target detection is compared against the performances of principal component embedding and the Laplacian embedding. Finally, results show that the SE-based detector with spatial–spectral features outperforms the other considered approaches.

36 MATERIALS SCIENCE↗

Second Target Station Target Segment PIE Dose Estimates

The purpose of the analysis described in this document is to support post irradiation examination (PIE) future decisions as related to the Second Target Station (STS) Project. The STS Project is discussing plans for future PIE studies, and the radionuclide inventories and dose rates included in this study will aid decision makers as they consider the need for various PIE-related machinery. Three configurations of the lasagna-type target segment are evaluated for this analysis: a single bare tungsten plate, a slice of the segment containing a single tungsten plate, and the upstream half of a segment. The lasagna type target segment used in this analysis has a precipitation hardenable nickel alloy (UNS N07718 or inconel 718) shroud, copper (C10100) cladding, and pure tungsten plates. The target segment is evaluated for 10 years of operation followed by two decay periods: 6 months and 2 years. For each decay period, decay gamma dose rates are tallied 30 cm from the upstream, downstream, top, bottom, and sides of the configurations. Radionuclide inventories are also provided in this report separated by material. The highest dose rates calculated in this study are 2872 rem/hr 30 cm away from the top and bottom of the half-target configuration after 6 months of decay.

36 MATERIALS SCIENCE↗

Modeled Results of Four Residential Energy Efficiency Measure Packages for Deriving Advanced Building Construction Research Targets

The Advanced Building Construction (ABC) Initiative from the U.S. Department of Energy Building Technologies Office is working to accelerate industrialized construction innovations for decarbonizing buildings. To inform performance and cost targets for research under the ABC Initiative, this analysis used the ResStock™ tool to evaluate the energy savings, utility bill impacts, and carbon emissions impacts of four simulated upgrade packages with specific target performance levels on a large sample of residential dwelling units (approximately 550,000) representative of the U.S. housing stock.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Target Selection and Sample Characterization for the DESI LOW-Z Secondary Target Program

Abstract We introduce the DESI LOW- Z Secondary Target Survey, which combines the wide-area capabilities of the Dark Energy Spectroscopic Instrument (DESI) with an efficient, low-redshift target selection method. Our selection consists of a set of color and surface brightness cuts, combined with modern machine-learning methods, to target low-redshift dwarf galaxies ( z < 0.03) between 19 < r < 21 with high completeness. We employ a convolutional neural network (CNN) to select high-priority targets. The LOW- Z survey has already obtained over 22,000 redshifts of dwarf galaxies ( M * < 10 9 M ⊙ ), comparable to the number of dwarf galaxies discovered in the Sloan Digital Sky Survey DR8 and GAMA. As a spare fiber survey, LOW- Z currently receives fiber allocation for just ∼50% of its targets. However, we estimate that our selection is highly complete: for galaxies at z < 0.03 within our magnitude limits, we achieve better than 95% completeness with ∼1% efficiency using catalog-level photometric cuts. We also demonstrate that our CNN selections z < 0.03 galaxies from the photometric cuts subsample at least 10 times more efficiently while maintaining high completeness. The full 5 yr DESI program will expand the LOW- Z sample, densely mapping the low-redshift Universe, providing an unprecedented sample of dwarf galaxies, and providing critical information about how to pursue effective and efficient low-redshift surveys.

79 ASTRONOMY AND ASTROPHYSICS↗

Optics and Systems Design of the Ring-to-Second Target Transport Beam-Line for the SNS Second Target Station

The Second Target Station (STS) project at the Spallation Neutron Source (SNS) is being developed to provide world-leading cold neutron brightness for next-generation neutron scattering experiments. The STS Accelerator Systems (AS) scope includes the design and implementation of the Ring-to-Second Target (RTST) proton beam transport line, which extracts 1.3 GeV proton beam pulses from the existing Ring-to-Beam Transport (RTBT) system and delivers them to the STS target. The RTST design emphasizes operational reliability [high reliability], low activation [minimum activation of components and the tunnel], maintainability, and compatibility with existing SNS infrastructure through extensive reuse of proven RTBT systems and components. The beamline includes a new extraction region, a transport lattice consisting of dipole, quadrupole, and corrector magnets, beam instrumentation systems, vacuum systems, personnel protection systems, and radiation shielding systems. Beam optics and particle tracking studies were performed using PyORBIT to validate extraction trajectories, beam transport, and target beam spot requirements [60–90 cm² beam spot area]. This paper presents the optics design philosophy, extraction system architecture, transport lattice design, instrumentation strategy, vacuum system approach, and radiation protection integration for the RTST beamline. Particle tracking simulations indicate successful beam transport without beam loss under nominal operating conditions. The RTST is designed to transport 1.3 GeV proton beam pulses at repetition rates up to 15 Hz, delivering nominal beam power of 700 kW to the Second Target Station.

Baron, Alex [ORNL]↗