gebhart/patrepeval huggingface dataset:
Accelerating Force-Directed Graph Drawing with RT Cores (2020)

Graph drawing with spring embedders employs a V ×V computation phase over the graph's vertex set to compute repulsive forces. Here, the efficacy of forces diminishes with distance: a vertex can effectively only influence other vertices in a certain radius around its position. Therefore, the algorithm lends itself to an implementation using search data structures to reduce the runtime complexity. NVIDIA RT cores implement hierarchical tree traversal in hard-ware. We show how to map the problem of finding graph layouts with force-directed methods to a ray tracing problem that can subsequently be implemented with dedicated ray tracing hardware. With that, we observe speedups of 4× to 13× over a CUDA software implementation.
Modifying the sorption properties of multi-walled carbon nanotubes via covalent functionalization (2009)

We demonstrate that the functionalization of carbon nanotubes dramatically alters their sorption characteristics. The effect of covalent functionalization of multiwalled carbon nanotubes (MWNTs) on the gas phase adsorption and desorption of polar and nonpolar organics is presented. Carboxylation and nitration led to the generation of polar functional groups on the nanotube surface. The derivatized nanotubes showed strong adsorption of polar analytes such as alcohols and relatively weaker adsorption for nonpolar and aromatic compounds. The breakthrough volume of ethanol increased by 300%, where as that of hexane decreased by 75% after functionalization. The functionalized MWNT also showed rapid desorption of the polar as well as nonpolar compounds.
Action in Chemistry (1977)

There's a lot going on in chemistry today--and much of it is likely to have an impact on the world's long-term needs in energy, food, and materials.
MicroRNAs 155, -221 and -222 Control Megakaryopoiesis at Progenitor and Precursor Level through Ets-1 Multitargeting. (2006)

Abstract It is generally accepted that microRNAs (miRs) control basic biological functions, such as cell proliferation and differentiation. However, only few targets of the ~ 300 known mammalian miRs have been validated so far, thus hampering delineation of miR-based control circuitries. Particularly, little is known on miR function in mammalian hematopoiesis. We have investigated by microarray and Northern blot evalutation miR expression profiles in human megakarypoiesis, as evaluated in cord blood hematopoietic progenitor cell (HPC) unilineage culture through the megakaryopoietic (MK) differentiation-maturation pathway. These studies indicated that miR-155, -221 and -222 are abundant in HPCs, but sharply decline during megakaryopoiesis. The decline may favour megakaryopoiesis by unblocking translation of key functional target protein(s). Bioinformatic analysis predicted that miR-155, -221 and -222 target Ets-1, a transcription factor up-regulated in Mk differentiation, which transactivates relevant Mk genes (e.g., TPO receptor, PF4, CD42 and von Willebrand factor). Consistently, in megakaryocytic cells the increase of Ets-1 protein expression coincides with the miR-155, -221 and -222 decrease. To find out whether Ets-1 mRNA is a possible target of miR-155, -221 and -222, we cloned segments of the 3′UTR of the Ets-1 gene downstream of a firefly luciferase ORF. Luciferase assay confirmed a direct interaction between each of these miRs and the 3′UTR of Ets-1. Functional studies showed that enhanced expression of these three miRs impairs proliferation, differentiation and maturation of MK cells, at least in part via enhanced degradation of Ets1 mRNA and down-modulation of Ets-1 protein. Similar results were obtained by RNA interference against Ets-1. Finally, HPCs transfected with miR-155, -221, and -222 showed a significant reduction of their Mk clonogenic capacity, suggesting that down-modulation of these miRs favours MK progenitor recruitment and commitment. Altogether, these studies indicate that a novel regulatory circuitry, based on miR-155, -221, -222 multitargeting Ets-1 mRNA leading in turn to transactivation of Mk-specific genes, plays a key role in the control of megakaryopoiesis at both progenitor and precursor level.
Comparison of Predictive Ability of Water Solubility QSPR Models Generated by MLR, PLS and ANN Methods (2004)

ADME/Tox computational screening is one of the most hot topics of modern drug research. About one half of the potential drug candidates fail because of poor ADME/Tox properties. Since the experimental determination of water solubility is time-consuming also, reliable computational predictions are needed for the pre-selection of acceptable "drug-like" compounds from diverse combinatorial libraries. Recently many successful attempts were made for predicting water solubility of compounds. A comprehensive review of previously developed water solubility calculation methods is presented here, followed by the description of the solubility prediction method designed and used in our laboratory. We have selected carefully 1381 compounds from scientific publications in a unified database and used this dataset in the calculations. The externally validated models were based on calculated descriptors only. The aim of model optimization was to improve repeated evaluations statistics of the predictions and effective descriptor scoring functions were used to facilitate quick generation of multiple linear regression analysis (MLR), partial least squares method (PLS) and artificial neural network (ANN) models with optimal predicting ability. Standard error of prediction of the best model generated with ANN (with 39-7-1 network structure) was 0.72 in logS units while the cross validated squared correlation coefficient (Q(2)) was better than 0.85. These values give a good chance for successful pre-selection of screening compounds from virtual libraries, based on the predicted water solubility.
Compact zwitterion-coated iron oxide nanoparticles for in vitro and in vivo imaging. (2013)

We have recently developed compact and water-soluble zwitterionic dopamine sulfonate (ZDS) ligand coated superparamagnetic iron oxide nanoparticles (SPIONs) for use in various biomedical applications. The defining characteristics of ZDS-coated SPIONs are small hydrodynamic diameters, low non-specific interactions with fetal bovine serum, the opportunity for specific labeling, and stability with respect to time, pH, and salinity. We report here on the magnetic characterization of ZDS-coated SPIONs and their in vitro and in vivo performance relative to non-specific interactions with HeLa cells and in mice, respectively. ZDS-coated SPIONs retained the superparamagnetism and saturation magnetization (M(s)) of as-synthesized hydrophobic SPIONs, with M(s) = 74 emu g(-1) [Fe]. Moreover, ZDS-coated SPIONs showed only small non-specific uptake into HeLa cancer cells in vitro and low non-specific binding to serum proteins in vivo in mice.
LAX and HNL Plunge into Valet Parking (2006)

This article profiles the valet parking services implemented at the Los Angeles International (LAX) and Honolulu International (HNL) airports. LAX introduced valet parking in May 2006, and while only a small percentage of cars are currently using the valet service, airport officials feel confident that the 15 minutes of time savings associated with the service will offset the $38 daily parking fee, which is $8 more than self-parking, and bring in more customers. HNL airport features a valet parking service which began in July 2006 and costs $20 a day, which is twice the fee for self-parking. The pilot project is drawing an average of 60 vehicles a day, and administrators plan to conduct periodic reviews of the program to determine its value as a parking alternative.
Kinetics and mechanisms: Reaction of iodine and triiodide with thiosulfate; decomposition of copper(III)glycylglycyl-L -histidine and copper(III)glycylglycyl-alpha -hydroxyhistamine (1992)

Aqueous iodine and triiodide ion react rapidly with thiosulfate ion in a multistep mechanism: (UNFORMATTED TABLE OR EQUATION FOLLOWS)$$\eqalign{&\rm I\sb2 + I\sp- \ {{k\sb1\atop\longrightarrow}\atop{\longleftarrow\atop K\sb{-1}}}\ I\sbsp{3}{-}\cr&\rm I\sb2 + S\sb2O\sbsp{3}{2-}\ {{k\sb2\atop\longrightarrow}\atop{\longleftarrow\atop K\sb{-2}}}\ I\sb2S\sb2O\sbsp{3}{2-}\cr&\rm I\sbsp{3}{-} + S\sb2O\sbsp{3}{2-}\ {{k\sb3\atop\longrightarrow}\atop{\longleftarrow\atop K\sb{-3}}}\ I\sb2S\sb2O\sbsp{3}{2-} + I\sp-\cr&\rm I\sb2S\sb2O\sbsp{3}{2-}\ {{k\sb4\atop\longrightarrow}\atop{\longleftarrow\atop K\sb{-4}}}\ IS\sb2O\sbsp{3}{-} + I\sp-\cr&\rm IS\sb2O\sbsp{3}{-} + S\sb2O\sbsp{3}{2-}\ {k\sb5\atop\longrightarrow}\ I\sp- + S\sb4O\sbsp{6}{2-}\cr}$$(TABLE/EQUATION ENDS) Rate constants (25.0 $\pm$ 0.2$\sp\circ$C, $\mu$ = 0.10) measured by pulsed-accelerated-flow and stopped-flow methods are: k$\sb2$ = 7.8 $\times$ 10$\sp9$ M$\sp{-1}$ s$\sp{-1}$, k$\sb{-2}$ = 2.5 $\times$ 10$\sp2$ s$\sp{-1}$, k$\sb3$ = 4.2 $\times$ 10$\sp8$ M$\sp{-1}$ s$\sp{-1}$, k$\sb{-3}$ = 9.5 $\times$ 10$\sp3$ M$\sp{-1}$ s$\sp{-1}$, k$\sb4$/k$\sb{-4}$ = 0.26 M, k$\sb5$ = 1.28 $\times$ 10$\sp6$ M$\sp{-1}$ s$\sp{-1}$. The I$\sb2$S$\sb2$O$\sb3\sp{2-}$ adduct is thermodynamically stable (k$\sb2$/k$\sb{-2}$ = K$\sb2$ = 3.2 $\times$ 10$\sp7$ M$\sp{-1}$), but is kinetically reactive. It dissociates rapidly to give IS$\sb2$O$\sb3\sp-$ which reacts with S$\sb2$O$\sb3\sp{2-}$ to eliminate I$\sp-$ and form S$\sb4$O$\sb6\sp{2-}$. Cu(III) (H$\sb{-2}$GlycylGlycyl-L-Histidine) has a reduction potential of 0.98 V (vs NHE) and decomposes rapidly, 0.7 s$\sp{-1}$ (pH = 6.3, $\mu$ = 1.0 M, 5$\sp\circ$C). The oxidation products are CO$\sb2$ and Cu(II) (GlycylGlycyl-NHCH(OH)CH$\sb2$IM) or Cu(II) (GGP). This Cu(II)product has a reduction potential of 1.02 V. The Cu(III) (H$\sb{-2}$GGP) decomposes more slowly than Cu(III) (H$\sb{-2}$GGH). From kinetic data, the pK$\sb{\rm a}$ of terminal amine deprotonation for Cu(III) (H$\sb{-2}$GGP) is 9.5 (5$\sp\circ$C, $\mu$ = 1.0). This is higher than the value of 8.7 measured for Cu(III) (H$\sb{-2}$GGH) by electrochemical methods. The oxidation product of the Cu(III) (H$\sb{-2}$GGP) decomposition is Cu(II) (GlycylGlycyl-N(OH)CH(OH)CH$\sb2$IM). The corresponding Cu(III) complex has a reduction potential of 1.2 V, and is slower to decompose than Cu(III) (H$\sb{-2}$GGH). It is proposed that the Cu(III) (H$\sb{-2}$GG-NHCH(OH)CH$\sb2$IM)$\sp+$ and the Cu(III) (GG-N(OH)CH(OH)CH$\sb2$IM)$\sp{2+}$ complexes decay by the loss of an proton from the $\alpha$-carbon of the histamine residue, while the Cu(III) (H$\sb{-2}$GGH) decays by the loss of carbon dioxide from the $\alpha$-carbon of histidine.
Pulsed laser deposition (PLD) of III-V semiconductors: Epitaxial film growth and gas-phase species analyses by in situ time-of-flight mass-spectrometry (1995)

PLD has been used to grow epitaxial thin films of III-V semiconductors. Systematic studies have been carried out to determine growth conditions for optimizing the structural quality of PLD epilayers of GaAs/GaAs(100), InP/InP(100), and GaAs/InP(100). These studies have focussed on the effects of substrate temperature and laser pulse energy for a fixed value of laser vaporization wavelength = 532 nm (viz., the frequency doubled output of a Q-switched Nd:YAG laser). The structure and morphology of the epilayers have been measured by resonance Raman scattering, atomic force microscopy (AFM), and x-ray diffraction. These techniques have shown that the thin film (10 nm < film thickness < 300 nm) adopts the crystallographic orientation of the substrate material. It has been shown by AFM that the rms surface roughness of PLD-grown GaAs is ca. 1 nm. Also, TOF-MS has been used to investigate velocity distributions of the gas-phase species.
Effective Utilization of Network by Spectrum Defragmentation (2014)

We experimentally demonstrate hitless spectrum defragmentation and show the effectiveness of spectrum defragmentation through network simulations. In addition, we implement the OpenFlow extensions for spectrum defragmentation.
Recent Progress in the Voltage-Controlled Magnetic Anisotropy Effect and the Challenges Faced in Developing Voltage-Torque MRAM (2019)

The electron spin degree of freedom can provide the functionality of "nonvolatility" in electronic devices. For example, magnetoresistive random access memory (MRAM) is expected as an ideal nonvolatile working memory, with high speed response, high write endurance, and good compatibility with complementary metal-oxide-semiconductor (CMOS) technologies. However, a challenging technical issue is to reduce the operating power. With the present technology, an electrical current is required to control the direction and dynamics of the spin. This consumes high energy when compared with electric-field controlled devices, such as those that are used in the semiconductor industry. A novel approach to overcome this problem is to use the voltage-controlled magnetic anisotropy (VCMA) effect, which draws attention to the development of a new type of MRAM that is controlled by voltage (voltage-torque MRAM). This paper reviews recent progress in experimental demonstrations of the VCMA effect. First, we present an overview of the early experimental observations of the VCMA effect in all-solid state devices, and follow this with an introduction of the concept of the voltage-induced dynamic switching technique. Subsequently, we describe recent progress in understanding of physical origin of the VCMA effect. Finally, new materials research to realize a highly-efficient VCMA effect and the verification of reliable voltage-induced dynamic switching with a low write error rate are introduced, followed by a discussion of the technical challenges that will be encountered in the future development of voltage-torque MRAM.
HIV evolution in early infection: selection pressures, patterns of insertion and deletion, and the impact of apobec (2009)

The pattern of viral diversification in newly infected individuals provides information about the host environment and immune responses typically experienced by the newly transmitted virus. For example, sites that tend to evolve rapidly across multiple early-infection patients could be involved in enabling escape from common early immune responses, represent adaptation for rapid growth in a newly infected host, or reversion from less fit forms of the virus that were selected for immune escape in previous hosts. Here we investigated the diversification of HIV -I env coding sequences in 81 very early B SUbtype infections previously shown to have resulted from transmission or expansion of single viruses (n=78) or two closely related viruses (n=3). In these cases the sequence of the infecting virus can be estimated accurately, enabling inference of both the direction of substitutions as well as distinction between insertion and deletion events. By integrating information across multiple acutely infected hosts, we find evidence of adaptive evolution of HIV-1 envand identified a subset of codon sites that diversified more rapidly than can be explained by a model of neutral evolution. Of 24 such rapidly diversifying sites, 14 were either (i) clustered and embedded in CTL epitopes that were verified experimentally or predicted based on the individual's HLA or (ii) in a nucleotide context indicative of APOBEC mediated G-to-A substitutions, despite having excluded heavily hypermutated sequences prior to the analysis. In several cases, a rapidly evolving site was both embedded in an APOBEC motif and in a CTL epitope, suggesting that APOBEC may facilitate early immune escape. Ten rapidly diversifying sites could not be explained by CTL escape or APOBEC hypermutation, including the most frequently mutated site, in the fusion peptide of gp4l. We also examined the distribution, extent, and sequence context of insertions and deletions and provide evidence that the length variation seen in hypervariable loop regions of the envelope glycoprotein is a consequence of selection and not mutational hotspots. These results provide a detailed view of the process of diversification of HIV-1 following transmission.
High Resolution Generation Expansion Planning Considering Flexibility Needs: The Case of Switzerland in 2030 (2021)

This paper presents a static generation expansion planning formulation in which operational and investment decisions for a wide range of technologies are co-optimized from a centralized perspective. The location, type and quantity of new generation and storage capacities are provided such that system demand and flexibility requirements are satisfied. Depending on investments in new intermittent renewables (wind, PV), the flexibility requirements are adapted in order to fully capture RES integration costs and ensure normal system operating conditions. To position candidate units, we incorporate DC constraints, nodal demand and production of existing generators as well as imports and exports from other interconnected zones. To show the capabilities of the formulation, high-temporal resolution simulations are conducted on a 162-bus system consisting of the full Swiss transmission grid and aggregated neighboring countries.
Strongly coupled slow-light polaritons in one-dimensional disordered localized states (2013)

Cavity quantum electrodynamics advances the coherent control of a single quantum emitter with a quantized radiation field mode, typically piecewise engineered for the highest finesse and confinement in the cavity field. This enables the possibility of strong coupling for chip-scale quantum processing, but till now is limited to few research groups that can achieve the precision and deterministic requirements for these polariton states. Here we observe for the first time coherent polariton states of strong coupled single quantum dot excitons in inherently disordered one-dimensional localized modes in slow-light photonic crystals. Large vacuum Rabi splittings up to 311 μeV are observed, one of the largest avoided crossings in the solid-state. Our tight-binding models with quantum impurities detail these strong localized polaritons, spanning different disorder strengths, complementary to model-extracted pure dephasing and incoherent pumping rates. Such disorder-induced slow-light polaritons provide a platform towards coherent control, collective interactions, and quantum information processing.
OPERATION OF SUPERCONDUCTING DIGITAL RECEIVER CIRCUITS ON 2-STAGE GIFFORD-MCMAHON CRYOCOOLER (2008)

We have demonstrated the full operation of digital RF receivers on a HYPRES-designed cryostat, which couples an Nb-based superconducting Rapid Single Flux Quantum (RSFQ) chip to a commercially available 100 mW 4 Kelvin Gifford-McMahon cryocooler. A field demonstration of digitization of a satellite-received signal at 7.7 GHz is described. The digital receiver chip is a 1 cm×1 cm chip comprising ∼11,000 Josephson junctions (JJ). The measured cryogenic thermal and magnetic environments of the chip are discussed and their impact on performance. Reception and direct digital conversion of real signals in the HF-, VHF-, and X-bands including signals from military satellite antennae shows the potential of this system to replace large and power-hungry multiple analog receivers.
Novel CO{sub 2}-thickeners for improved mobility control (2000)

The objective of this study was to design, synthesize, and characterize thickening agents for dense carbon dioxide and to evaluate their solubility and viscosity-enhancing potential in CO{sub 2}. Previously, fluoroacrylate homopolymers and fluorinated telechelic ionomers were shown to increase the viscosity of carbon dioxide by a factor of 3--4 at concentrations of 2--3 at concentrations of 4--5 wt%. This report details the findings for several new types of carbon dioxide thickening candidates. Hydrocarbon-fluorocarbon random copolymers, sulfonated hydrocarbon-fluorocarbon random copolymers, semifluorinated trialkyltin fluorides and small hydrogen-bounding compounds were evaluated.
Demonstration of One Hundred Kilogram Xenon Throughput by a Low-Power Hall Thruster (2022)

The Hall thruster component of the Ascendant Sub-Kilowatt Transcelestial Electric Propulsion System (known ASTRAEUS) successfully demonstrated a propellant throughput of over 100 kg of xenon and demonstrated a total of [Formula: see text] of impulse in a long-duration wear test. The thruster was operated for a total of 7205 h, with the test broken into five segments each with a different discharge power between 200 and 1350 W: 3291 h at 300 V/1000 W, 1739 h at 500 V/1000 W, 416 h at 400 V/600 W, 388 h at 200 V/200 W, and 1371 h at 300 V/1350 W. Telemetry and temperature measurements periodically recorded throughout the test revealed constant performance across each test segment and over the full test duration. Each segment was sufficiently long to obtain erosion rate data on the thruster by an optical profilometer. Subnominal magnetic field strengths were inadvertently applied to the thruster during the first 5 khr of the test due to an electrical ground-support equipment issue, which caused a downstream shift of the discharge plasma and higher erosion of the thruster’s pole covers than originally expected. This issue was corrected for the latter three test segments; however, the thruster performance and operational behavior at all reference operating conditions remained unaffected. The long-duration wear test was voluntarily terminated after the thruster processed 100.3 kg of xenon (Xe). This marks the world’s first long-duration wear test of a low-power magnetically shielded Hall thruster with a center-mounted hollow cathode wherein over 100 kg Xe throughput was demonstrated.
TNF-alpha stimulates the ACAT1 expression in differentiating monocytes to promote the CE-laden cell formation (2009)

High levels of the inflammatory cytokine tumor necrosis factor-alpha (TNF-alpha) are present in atherosclerotic lesions. TNF-alpha regulates expression of multiple genes involved in various stages of atherosclerosis, and it exhibits proatherosclerotic and antiatherosclerotic properties. ACAT catalyzes the formation of cholesteryl esters (CE) in monocytes/macrophages, and it promotes the foam cell formation at the early stage of atherosclerosis. We hypothesize that TNF-alpha may be involved in regulating the ACAT gene expression in monocytes/macrophages. In this article, we show that in cultured, differentiating human monocytes, TNF-alpha enhances the expression of the ACAT1 but not ACAT2 gene, increases the cholesteryl ester accumulation, and promotes the lipid-laden cell formation. Several other proinflammatory cytokines tested do not affect the ACAT1 gene expression. The stimulation effect is consistent with a receptor-dependent process, and is blocked by using nuclear factor-kappa B (NF-kappa B) inhibitors. A functional and unique NF-kappa B element located within the human ACAT1 gene proximal promoter is required to mediate the action of TNF-alpha. Our data demonstrate that TNF-alpha, through the NF-kappa B pathway, specifically enhances the expression of human ACAT1 gene to promote the CE-laden cell formation from the differentiating monocytes, and our data support the hypothesis that TNF-alpha is proatherosclerotic during early phase of lesion development.