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At least 73 records · Page 4

Fifteen years of the Protein Crystallography Station: The coming of age of macromolecular neutron crystallography

The Protein Crystallography Station (PCS), located at the Los Alamos Neutron Scattering Center (LANSCE), was the first macromolecular crystallography beamline to be built at a spallation neutron source. Following testing and commissioning, the PCS user program was funded by the Biology and Environmental Research program of the Department of Energy Office of Science (DOE-OBER) for 13 years (2002–2014). The PCS remained the only dedicated macromolecular neutron crystallography station in North America until the construction and commissioning of the MaNDi and IMAGINE instruments at Oak Ridge National Laboratory, which started in 2012. The instrument produced a number of research and technical outcomes that have contributed to the field, clearly demonstrating the power of neutron crystallography in helping scientists to understand enzyme reaction mechanisms, hydrogen bonding and visualization of H-atom positions, which are critical to nearly all chemical reactions. During this period, neutron crystallography became a technique that increasingly gained traction, and became more integrated into macromolecular crystallography through software developments led by investigators at the PCS. As a result, this review highlights the contributions of the PCS to macromolecular neutron crystallography, and gives an overview of the history of neutron crystallography and the development of macromolecular neutron crystallography from the 1960s to the 1990s and onwards through the 2000s.

59 BASIC BIOLOGICAL SCIENCES↗

Study of the interrelation between the electrotechnical parameters of the plasma focus discharge circuit and the plasma compression dynamics on the PF-3 and PF-1000 facilities

The main stages of the plasma current sheath (PCS) dynamics on two plasma focus (PF) facilities with different geometries of the electrode system, PF-3 (Filippov type) and PF-1000 (Mather type), were studied by analyzing the results of the current and voltage measurements. Some dynamic characteristics, such as the PCS velocity in the acceleration phase in the Mather-type facility (PF-1000), the moment at which the PCS reaches the anode end, and the plasma velocity in the radial stage of plasma compression in the PF-3 Filippov-type facility, were determined from the time dependence of the inductance of the discharge circuit with a dynamic plasma load. The energy characteristics of the discharge circuit of the compressing PCS were studied for different working gases (deuterium, argon, and neon) at initial pressures of 1.5–3 Torr in discharges with energies of 0.3–0.6 MJ. In experiments with deuterium, correlation between the neutron yield and the electromagnetic energy deposited directly in the compressed PCS was investigated.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Fabrication of 3-D Photonic Band Gap Crystals Via Colloidal Self-Assembly

The behavior of photons in a Photonic Crystals, PCs, is like that of electrons in a semiconductor in that, it prohibits light propagation over a band of frequencies, called Photonic Band Gap, PBG. Photons cannot exist in these band gaps like the forbidden bands of electrons. Thus, PCs lend themselves as potential candidates for devices based on the gap phenomenon. The popular research on PCs stem from their ability to confine light with minimal losses. Large scale 3-D PCs with a PBG in the visible or near infra red region will make optical transistors and sharp bent optical fibers. Efforts are directed to use PCs for information processing and it is not long before we can have optical integrated circuits in the place of electronic ones.

Subramaniam, Girija↗

NSTX-U Control System Upgrades

The National Spherical Tokamak Experiment (NSTX) is undergoing a wealth of upgrades (NSTX-U). These upgrades, especially including an elongated pulse length, require broad changes to the control system that has served NSTX well. A new fiber serial Front Panel Data Port input and output (I/O) stream will supersede the aging copper parallel version. Driver support for the new I/O and cyber security concerns require updating the operating system from Redhat Enterprise Linux (RHEL) v4 to RedHawk (based on RHEL) v6. While the basic control system continues to use the General Atomics Plasma Control System (GA PCS), the effort to forward port the entire software package to run under 64-bit Linux instead of 32-bit Linux included PCS modifications subsequently shared with GA and other PCS users. Software updates focused on three key areas: (1) code modernization through coding standards (C99/C11), (2) code portability and maintainability through use of the GA PCS code generator, and (3) support of 64-bit platforms. Central to the control system upgrade is the use of a complete real time (RT) Linux platform provided by Concurrent Computer Corporation, consisting of a computer (iHawk), an operating system and drivers (RedHawk), and RT tools (NightStar). Strong vendor support coupled with an extensive RT toolset influenced this decision. The new real-time Linux platform, I/O, and software engineering will foster enhanced capability and performance for NSTX-U plasma control.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Closed-loop simulation with Grad-Shafranov equilibrium evolution for plasma control system development

Plasma control design increasingly depends on fast simulations able to connect to operational plasma control system (PCS) software for iterative development. GSevolve is a nonlinear free-boundary simulation that evolves the Grad-Shafranov equilibrium including current and pressure profiles, and can connect to all versions of the DIII-D PCS operational on devices around the world. Its ability to simulate the evolution of current continuously from open to closed field lines enables GSevolve to simulate full-discharge control from breakdown through plasma termination. GSevolve is compliant with the Plasma Control System Simulation Platform (PCSSP), a Matlab/Simulink®-based environment that serves as the primary framework for development of the ITER Plasma Control System (PCS). The code employs a novel response function-updating scheme to achieve fast simulations. The plasma evolves linearly until a significant shape change triggers a nonlinear update of the response while enforcing a prescribed accuracy. Old responses are recalled if the plasma changes back to an old shape. The equilibrium is a function of a state vector containing axisymmetric conductor currents and parameters related to parallel and perpendicular currents, which evolves according to an efficient state space circuit formulation. Control design and validation results are presented for simulations of DIII-D and EAST, connected to their corresponding versions of the DIII-D PCS.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Enhanced Interfacial Strength in Carbon Fiber Composites via Mussel‐Inspired Sizing Polymers

Composite materials possess a high strength-to-weight ratio. A key determinant of their mechanical performance is the interfacial strength between the fibers and the matrix. Sizing agents are commonly used to improve this interface by promoting better adhesion, though optimizing this interaction remains a significant challenge. Here, this study evaluates the use of poly(catechol-styrene) (PCS), a mussel-inspired sizing agent, to enhance fiber–matrix bonding in carbon fiber composites. Woven carbon fiber laminates were dip-coated with varying concentrations of PCS (0.05 and 0.1 wt%) and subsequently fabricated using vacuum-assisted resin transfer molding followed by compression molding. Interlaminar shear strength (ILSS) tests showed improvements of 4% and 8% for the 0.05% and 0.1% PCS treatments, respectively. These results indicate that PCS is effective in reinforcing interfacial adhesion, thereby improving the mechanical integrity of carbon fiber-reinforced composites.

Carbon fiber composites↗

Evaluation of Effectiveness of Embolization in Pelvic Congestion Syndrome with the New Vascular Occlusion Device (ArtVentive EOS™): Preliminary Results

PurposeThis study aimed to collect confirmatory data in support of the safety and efficiency of the ArtVentive EOS™ for the treatment of the pelvic congestion syndrome (PCS). This study was based on the OCCLUDE 1 Study Protocol approved by the Local Ethics Committee.Materials and MethodsA prospective study carried out in June and July 2014 included 12 women aged 21–48 years (mean 31 years) scheduled for PCS embolization using the ArtVentive EOS™. The inclusion criteria were clinical symptoms of PCS documented by transvaginal Doppler ultrasound and pelvic MRI. The pelvic pain was assessed by VAS score from 0 to 10 (0 represents lack of pain and 10 unbearable pain). A decrease in pelvic pain intensity based on the VAS was considered a clinical success.ResultsSuccessful embolization procedures with ArtVentive EOS™ were performed in 11 out of 12 patients. Nine patients underwent unilateral embolization of the left ovarian vein, and two had bilateral embolization of the ovarian veins. Complete ovarian vein occlusion confirmed by post deployment venography was achieved in all 11 patients. Procedures lasted from 19 to 45 min (average 28 min). Pain intensity decrease was observed in all 11 patients—a decrease of 5.6 points—from 7.3 pre-procedure to 1.6 post-embolization (standard deviation: 0.67). In one case, the left ovarian vein was injured by guide wire manipulation with contrast extravasation—not clinically significant.ConclusionsThe use of ArtVentive EOS™ for occlusion of the ovarian veins in PCS patients is safe and effective.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Pericardial Cysts: a Contemporary Comprehensive Review

Purpose of Review: This is an in-depth review on the etiology, clinical manifestation, differential diagnosis, diagnostic modalities, complications, and management of pericardial cysts (PCs). Recent Findings: PCs are the third most common type of mediastinal masses and are usually identified incidentally by chest x-ray (CXR) or transthoracic echocardiography (TTE). Although most PCs are asymptomatic, they might lead to serious complications such as cardiac tamponade. Diagnosis is confirmed by cardiac computed tomography or cardiac magnetic resonance. Cysts need to be followed by imaging every 1 to 2 years; however, a recent report suggested less frequent follow-up. Most cases resolve spontaneously, but if needed, aspiration or surgical resection can be done. Summary: PCs are rare entities and are usually detected incidentally after CXR or TTE. Providers should be aware of this condition since it could potentially lead to serious complications.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Preliminary proof-of-concept of real-time divertor heat flux control from infrared cameras with nitrogen injection in the DIII-D tokamak

In future tokamak reactors like ITER and the Fusion Pilot Plant (FPP), real-time feedback control of heat flux to the plasma-facing components (PFC) will be critical for steady-state operation. This work presents the first experimental demonstration of real-time divertor heat flux estimation with infrared thermography and feedback control with impurity seeding on the DIII-D tokamak. The flexible infrastructure of the Plasma Control System (PCS) on DIII-D makes this new capability possible. The PCS software runs on a gateway computer system, and five real-time compute nodes. An array of low latency streaming digitizers from D-TACQ Solutions connects to these real-time computers to collect and process data, and send commands to actuators during plasma discharges. This system handles the signal IO from the tokamak and allows the PCS to utilize the diagnostic data necessary to perform control in real-time. Feedback control on heat flux was accomplished by feeding infrared camera data from the “Infrared TV” (IRTV) camera to a custom-developed User Datagram Protocol (UDP) server. This server transmits infrared data to a newly developed PCS algorithm that estimates the heat flux to PFC. Here, a proportional integral derivative (PID) controller minimizes the error between a heat flux reference and the real-time estimate by injecting nitrogen gas into the divertor.

Algorithm development↗

Cerebellar dysfunction in a mouse model of childhood-onset manganese-induced dystonia parkinsonism

Humans with pathogenic variants of the manganese (Mn) transporter gene SLC39A14 exhibit highly elevated brain Mn concentrations and childhood-onset dystonia-parkinsonism. Here we show that Slc39a14-knockout (KO) mice, a preclinical model of the disease with elevated Mn concentrations in the CB, express deficits in physiological tremor implicating cerebellar (CB) dysfunction. Imaging of intracellular Mn in Purkinje cells (PCs) using synchrotron-based X-ray fluorescence microscopy confirmed highly elevated Mn concentrations in the PCs of Slc39a14-KO mice. To determine biological pathways altered in the CB of Slc39a14-KO mice relative to wildtype (WT), we performed RNA sequencing and discovered significant upregulation of pathways and genes regulating immune response and cell death. To substantiate these findings, we performed quantitative autoradiography of the neuroinflammation biomarker Translocator Protein 18 kDa (TSPO) which was significantly increased in the CB of Slc39a14-KO mice relative to WT. The latter findings were confirmed via immunostaining with the microglial marker Iba-1, revealing widespread microglia activation and clustering in the CB cortex. Immunostaining for cleaved caspase-3 (cCASP3), a marker of apoptosis, showed increased number of PCs with positive immunolabeling for cCASP3 in Slc39a14-KO mice relative to WT. Degeneration of PCs was confirmed by Hematoxylin and Eosin (H&E) staining. Lastly, functional electrophysiological assessment of CB neurocircuitry revealed a marked decrease in firing rates of cerebellar nuclei (CN) neurons and increased variability of PC simple spikes firing. Collectively, these findings show, for the first time, Mn-induced PC degeneration and dysfunctional CB circuitry in Slc39a14-KO mice providing additional evidence for the pathological underpinnings of the dystonia-like movements, balance, and gait abnormalities in SLC39A14 mutation carriers.

36 MATERIALS SCIENCE↗

HIF-1α inhibition blocks the cross talk between multiple myeloma plasma cells and tumor microenvironment

Multiple myeloma (MM) is a malignant disorder of post-germinal center B cells, characterized by the clonal proliferation of malignant plasma cells (PCs) within the bone marrow (BM). The reciprocal and complex interactions that take place between the different compartments of BM and the MM cells result in tumor growth, angiogenesis, bone disease, and drug resistance. Given the importance of the BM microenvironment in MM pathogenesis, we investigated the possible involvement of Hypoxia-Inducible transcription Factor-1 alpha (HIF-1α) in the PCs-bone marrow stromal cells interplay. To test this hypothesis, we used EZN-2968, a 3rd generation antisense oligonucleotide against HIF-1α, to inhibit HIF-1α functions. Herein, we provide evidence that the interaction between MM cells and BM stromal cells is drastically reduced upon HIF-1α down-modulation. Notably, we showed that upon exposure to HIF-1α inhibitor, neither the incubation with IL-6 nor the co-culture with BM stromal cells were able to revert the anti-proliferative effect induced by EZN-2968. Moreover, we observed a down-modulation of cytokine-induced signaling cascades and a reduction of MM cells adhesion capability to the extracellular matrix proteins in EZN-2968-treated samples. Taken together, these results strongly support the concept that HIF-1α plays a critical role in the interactions between bone BM cells and PCs in Multiple Myeloma. - Highlights: • HIF-1α inhibition induces a mild apoptotic cell death. • Down-modulation of cytokine-induced signaling cascades upon HIF-1α inhibition. • Reduced interaction between MM cells and BMSCs upon HIF-1α down-modulation. • Reduced PCs adhesion to the extracellular matrix protein induced by EZN-2968. • HIF-1α inhibition may be an attractive therapeutic strategy for Multiple Myeloma.

60 APPLIED LIFE SCIENCES↗

Spectroscopic Characterization, Computational Investigation, and Comparisons of ECX – (E = As, P, and N; X = S and O) Anions

Three newly-synthesized [Na+(221-kryptofix)] salts containing AsCO–, PCO–, and PCS– anions were successfully electrosprayed into the vacuum, and the ECX– (E = As, P; X = O, S) anions were investigated by negative ion photoelectron spectroscopy (NIPES) and high resolution photoelectron imaging spectroscopy. For each ECX– anion, a well-resolved NIPE spectrum was obtained, in which every major peak is split into a doublet. The splittings are attributed to spin-orbit coupling (SOC) in the ECX• radicals. Vibrational progressions in the NIPE spectra of ECX– were assigned to the symmetric and antisymmetric stretching modes in ECX• radicals. The electron affinities (EAs) and SOC splittings of ECX• are determined from the NIPE spectra to be: AsCO•: EA = 2.414 ± 0.002 eV, SOC splitting = 988 cm-1; PCO•: EA = 2.670 ± 0.005 eV, SOC splitting = 175 cm-1; PCS•: EA = 2.850 ± 0.005 eV, SOC splitting = 300 cm-1. Calculations using the B3LYP, CASPT2, and CCSD(T) methods all predict linear geometries for both the anions and neutral radicals. The calculated EAs and SOC splittings for ECX• are in excellent agreement with the experimentally-measured values. The simulated NIPE spectra, based on the calculated Franck-Condon factors, and SOC splittings nicely reproduce all of the observed spectral peaks, thus allowing unambiguous spectral assignments. The finding that PCS has the greatest EA of the three triatomic molecules considered here is counterintuitive based upon electronegativity considerations, but understandable in terms of the HOMO of PCS– having the greatest degree of delocalization onto both terminal atoms.

Environmental Molecular Sciences Laboratory↗

Surface transport properties of Fe-based superconductors: The influence of degradation and inhomogeneity

Surface properties of Co-doped BaFe{sub 2}As{sub 2} epitaxial superconducting thin films were inspected by X-ray photoelectron spectroscopy, scanning spreading resistance microscopy (SSRM), and point contact spectroscopy (PCS). It has been shown that surface of Fe-based superconductors degrades rapidly if being exposed to air, what results in suppression of gap-like structure on PCS spectra. Moreover, SSRM measurements revealed inhomogeneous surface conductivity, what is consistent with strong dependence of PCS spectra on contact position. Presented results suggest that fresh surface and small probing area should be assured for surface sensitive measurements like PCS to obtain intrinsic properties of Fe-based superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Photonic crystal slab quantum cascade detector

In this Letter, we demonstrate the design, fabrication, and characterization of a photonic crystal slab quantum cascade detector (PCS-QCD). By employing a specifically designed resonant cavity, the performance of the photodetector is improved in three distinct ways. The PCS makes the QCD sensitive to surface normal incident light. It resonantly enhances the photon lifetime inside the active zone, thus increasing the photocurrent significantly. And, the construction form of the device inherently decreases the noise. Finally, we compare the characteristics of the PCS-QCD to a PCS - quantum well infrared photodetector and outline the advantages for certain fields of applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Two-step fabrication technique of gold tips for use in point-contact spectroscopy

For a successful point-contact spectroscopy (PCS) measurement, metallic tips of proper shape and smoothness are essential to ensure the ballistic nature of a point-contact junction. Until recently, the fabrication of Au tips suitable for use in point-contact spectroscopy has remained more of an art involving a trial and error method rather than an automated scientific process. To address these issues, we have developed a technique with which one can prepare high quality Au tips reproducibly and systematically. It involves an electronic control of the driving voltages used for an electrochemical etching of a gold wire in a HCl-glycerol mixture or a HCl solution. We find that a stopping current, below which the circuit is set to shut off, is a single very important parameter to produce an Au tip of desired shape. We present detailed descriptions for a two-step etching process for Au tips and also test results from PCS measurements using them.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Persistent-current switch for pancake coils of rare earth-barium-copper-oxide high-temperature superconductor: Design and test results of a double-pancake coil operated in liquid nitrogen (77–65 K) and in solid nitrogen (60–57 K)

We present design and test results of a superconducting persistent current switch (PCS) for pancake coils of rare-earth-barium-copper-oxide, REBCO, high-temperature superconductor (HTS). Here, a REBCO double-pancake (DP) coil, 152-mm ID, 168-mm OD, 12-mm high, was wound with a no-insulation technique. We converted a ∼10-cm long section in the outermost layer of each pancake to a PCS. The DP coil was operated in liquid nitrogen (77–65 K) and in solid nitrogen (60–57 K). Over the operating temperature ranges of this experiment, the normal-state PCS enabled the DP coil to be energized; thereupon, the PCS resumed the superconducting state and the DP coil field decayed with a time constant of 100 h, which would have been nearly infinite, i.e., persistent-mode operation, were the joint across the coil terminals superconducting.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Comparative Investigation of System-Level Optimized Power Conversion System Architectures to Reduce LCOE for Large-Scale PV-Plus-Storage Farms

PV-plus-storage (PVS) has become a prevalent configuration for newly commissioned large-scale solar projects. However, the optimal power conversion system (PCS) architecture has not been investigated yet. This paper first validates the limited impact of inverter cost on LCOE and then explores a system-level optimized PCS architecture with extended LCOE reduction to proliferate large-scale dispatchable solar energy. Two state-of-the-art architectures including central inverters (CI), traditional 480/600 V string inverters (SI) are compared with newly proposed medium voltage string inverters (MVSI) and multiport DC transformer (MDCT). With verified layouts and single line diagrams (SLDs) of 20 MW PVS plants, the losses and costs breakdown of different architectures are extracted and the PCS related LCOEs are derived. In this analysis, all electrical bill of materials (EBOS) elements, inverters, battery storage and its associated components, are included, whose losses and costs are obtained from markets, manufacturers, and literature. Besides, the sensitivities of PCS-related LCOEs to Inverter-Loading-Ratio (ILR) are also investigated. Here, the results show that compared with CI and SI with 1.5 kV PV, 4 kV MVSI and 34 kV MDCT present an extended LCOE reduction across all ILR from 1.0 to 3.0, making them economically favorable candidates for PVS farms.

14 SOLAR ENERGY↗

DCE-MRI defined subvolumes of a brain metastatic lesion by principle component analysis and fuzzy-c-means clustering for response assessment of radiation therapy

Purpose: To develop a pharmacokinetic modelfree framework to analyze the dynamic contrast enhanced magnetic resonance imaging (DCE-MRI) data for assessment of response of brain metastases to radiation therapy. Methods: Twenty patients with 45 analyzable brain metastases had MRI scans prior to whole brain radiation therapy (WBRT) and at the end of the 2-week therapy. The volumetric DCE images covering the whole brain were acquired on a 3T scanner with approximately 5 s temporal resolution and a total scan time of about 3 min. DCE curves from all voxels of the 45 brain metastases were normalized and then temporally aligned. A DCE matrix that is constructed from the aligned DCE curves of all voxels of the 45 lesions obtained prior to WBRT is processed by principal component analysis to generate the principal components (PCs). Then, the projection coefficient maps prior to and at the end of WBRT are created for each lesion. Next, a pattern recognition technique, based upon fuzzy-c-means clustering, is used to delineate the tumor subvolumes relating to the value of the significant projection coefficients. The relationship between changes in different tumor subvolumes and treatment response was evaluated to differentiate responsive from stable and progressive tumors. Performance of the PC-defined tumor subvolume was also evaluated by receiver operating characteristic (ROC) analysis in prediction of nonresponsive lesions and compared with physiological-defined tumor subvolumes. Results: The projection coefficient maps of the first three PCs contain almost all response-related information in DCE curves of brain metastases. The first projection coefficient, related to the area under DCE curves, is the major component to determine response while the third one has a complimentary role. In ROC analysis, the area under curve of 0.88 ± 0.05 and 0.86 ± 0.06 were achieved for the PC-defined and physiological-defined tumor subvolume in response assessment. Conclusions: The PC-defined subvolume of a brain metastasis could predict tumor response to therapy similar to the physiological-defined one, while the former is determined more rapidly for clinical decision-making support.

62 RADIOLOGY AND NUCLEAR MEDICINE↗