gebhart/patrepeval huggingface dataset:
Multiphase imide block copolymers: new materials for microelectronics applications (2002)

Imide block copolymers were investigated as a means of lowering the dielectric constant and improving the polymer-polymer adhesion of poly(4,4'-oxydiphenylenepyromellitimide) (PMDA/ODA). Poly(perfluoroalkylenearyl ether) (PFAAE) was used as a coblock to introduce fluorine and lower the dielectric constant of PMDA/ODA. Poly(aryl ether-phenylquinoxaline) (PQE) coblocks were incorporated to improve polymer-polymer adhesion, since conventional poly(phenylquinoxalines) are known to be excellent hot melt adhesives. The preparation of imide copolymers required the use of poly(amic ester), rather than poly(amic acids), as the imide precursor. PFAAE and PQE were selected as coblocks due to their compatibility with the solvents required for the poly(amic ester) synthesis and processing as well as their excellent thermal stability and mechanical properties. The copolymers could be processed and cured with conventional techniques to afford high-quality coatings. The block copolymers showed excellent final properties, including high dimensional stability and tough, ductile mechanical properties. The materials displayed a heterogeneous morphology with submicron domains of PFAAE or PQE in a polyimide matrix. The PFAAE copolymers showed a reduction in dielectric constant relative to PMDA/ODA ( epsilon approximately=2.8), and the copolymers of PMDA/ODA with approximately=15-wt.% PQE showed excellent self-adhesion, as predicted.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">&gt;</ETX>
Temperature dependence of the reduction potential in CuA in carbon monoxide-inhibited cytochrome c oxidase (1986)

The temperature dependence of the reduction potential of the CuA site in carbon monoxide inhibited cytochrome c oxidase has been measured with a spectroelectrochemical method adapted to the relatively weak near-infrared absorption of this copper ion. These measurements, together with parallel measurements on the 604-nm absorption due to Fea, indicate that an interaction between CuA and Fea causes the reduction potential for one of these sites to be decreased by approximately 40 mV upon reduction of the other. The temperature dependence of the CuA reduction potential indicates a relatively large and negative standard entropy of reduction of CuA (delta So' = -48.7 +/- 2.3 eu). Possible implications of the intersite redox interaction and the large standard entropy of reduction of the CuA site are discussed.
Solution Aggregate Structures of Donor Polymers Determine the Morphology and Processing Resiliency of Non-Fullerene Organic Solar Cells (2022)

The solution-state aggregation of conjugated polymers is critical to the morphology and device performance of bulk heterojunction (BHJ) organic solar cells (OSCs). However, tuning the polymer solution-state aggregation for optimal film morphology remains challenging due to a lack of understanding of polymer aggregates in the solution-state. Herein, we demonstrate that polymer solution-state aggregate structure significantly impacts the BHJ film morphology and processing temperature resiliency of OSCs. Using X-ray scattering and imaging techniques, we ascertain that the donor polymer PM7 forms a combination of large fibrillar aggregates and network-like aggregates comprised of single polymer chains while its derivatives PM7 D1 and D2 are mainly composed of polymer network-like aggregates in solution. Upon increasing the solution temperature, large fibrillar aggregates dissolve while polymer network-like aggregates maintain their network structures. Surprisingly, regardless of the polymer system, we show that OSCs fabricated from polymer network-like aggregates yield favorable BHJ morphology comprised of small domains with face-on preferred molecular orientation while large fibrillar aggregates lead to poor film morphologies consisting of large domains without preferential molecular orientation. Due to their stability with temperature, polymer network-like aggregates are resilient to processing temperature variation whereas fibrillar aggregates are sensitive to processing temperature. Overall, this work highlights the critical role of solution-state aggregation of polymers, especially their aggregate structures, in achieving OSCs with favorable morphology and high processing resiliency.
An Introduction to High Performance Computing and Its Intersection with Advances in Modeling Rare Earth Elements and Actinides (2021)

Computationally driven solutions in nuclear and radiochemistry heavily depend on efficient modeling of Rare Earth Elements (REEs) and actinides. Accurate modeling of REEs and actinides faces challenges stemming from limitations from an imbalanced hardware-software ecosystem and its implications on inefficient use of High Performance Computing (HPC). This chapter provides a historical perspective on the evolution of HPC hardware, its intersectionality with domain sciences, the importance of benchmarks for performance, and an overview of challenges and advances in modeling REEs and actinides. This chapter intends to provide an introduction for researchers at the intersection of scientific computing, software development for HPC, and applied computational modeling of REEs and actinides. The chapter is structured in five sections. First, the Introduction includes subsections focusing on the Importance of REEs and Actinides (1.1), Hardware, Software, and the HPC Ecosystem (1.2), and Electronic Structure Modeling of REEs and Actinides (1.3). Second, a section in High Performance Computing focuses on the TOP500 (2.1), HPC Performance (2.2), HPC Benchmarks: Processing, Bandwidth, and Latency (2.3), and HPC Benchmarks and their Relationship to Chemical Modeling (2.4). Third, the Software Challenges and Advances focus on NWChem/NWChemEx (3.1), MADNESS (3.2), and MPQC (3.3). The fourth section provides a short overview of Artificial Intelligence in HPC applications relevant to nuclear and radiochemistry. The fifth section illustrates A Protocol to Evaluate Complexation Preferences in Separations of REEs and Actinides through Computational Modeling.
Modeling and tuning the filament properties in RRAM metal oxide stacks for optimized stable cycling (2012)

Forming current I <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">form</sub> is a crucial parameter for stable cycling in a HfO <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> RRAM stack. (i) Too low I <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">form</sub> results in constriction `elongation' for filament current reduction during reset, quickly leading to failure. (ii) Too high and unlimited I <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">form</sub> leads to poor control of the filament nature expressed as a wide V <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">0</sub> -distribution in the QPC model. (iii) In between, I <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">form</sub> is directly correlated to the minimal achievable HRS current and a narrow, stable filament is formed which allows for device scaling as well as multi-level programming.
An inside look at temperature measurement solutions from a casting facility (1990)

Temperature measurement of molten uranium metal in casting furnaces has been a long-standing problem at the Oak Ridge Y-12 Plant. Automatic optical pyrometers used to measure surface temperatures were plagued with problems of emissivity differences across melt surfaces. The Plant responded to the need for an automatic measurement by taking a hard look at thermocouple and optical solutions to high temperature measurement. Existing thermocouple measurement problems were addressed. Products from several vendors of two-color optical pyrometers were placed on production furnaces and evaluated. For most areas, the two-color optical pyrometers was chosen as the best technique. Selling the use of automatic optical pyrometers to production personnel required on extensive data collection and analysis program. After analysis of the data, it became apparent that measurement variation in some areas was too large to satisfy production needs. To resolve measurement problems, a scanning technique was developed to provide intelligent selection of the optical target on the melt surface. By choosing a slag free area of the melt as a target, variations introduced by the slag were eliminated. Data which compared the traditional manual measurement to the scanning automatic measurement showed mean difference of less than 5{degree}C with 2{sigma}-limits (about the mean) ofmore » roughly {plus minus}10{degree}C. The work described in this paper has now brought good acceptance of automatic optical pyrometry in our casting facility. 6 refs., 1 tab.« less
Glycogen depletion increases peroxisome proliferator activated receptor‐δ (PPAR‐δ) activity following acute exercise (2011)

Performing exercise with low muscle glycogen has profound effects on substrate utilization and gene transcription. The aim of the present study was to examine signaling pathways potentially responsible for modulating gene transcription during exercise in a glycogen-depleted state. Methods Twenty female Wistar rats were randomly assigned to 5 experimental groups: control [CON]; normal glycogen control [NG-C]; normal glycogen exercise [NG-E]; low glycogen control [LG-C]; and low glycogen exercise [LG-E]). Results Exercise reduced muscle glycogen by 47 and 75% post exercise in the NG-E and LG-E groups respectively. The exercise protocol meant that the LG-E group began exercise with a 40% decrease in resting glycogen levels (2.1 ± 0.1 to 1.3 ± 0.3 nmol.mg.wet wt; P<0.05). Exercise in low glycogen increased AMPK α1 activity by 32% (CON 0.04 ± 0.002, LG-E 0.06 ± 0.006 Units mg/AMPK; P<0.05) and AMPK α2 activity by 147% (CON 0.03 ± 0.004, LG-E 0.07 ± 0.005 Units mg/AMPK; P<0.05). In addition to the increase in AMPK activity, ChIP analysis demonstrated increased PPAR-δ binding to the CPT1 promoter in the LG-C, LG-E, and NG-E experimental groups compared to the CON group or the NG-C groups. Discussion Our data suggests that PPAR-δ activation may contribute to the altered gene transcription previously reported during exercise in a glycogen-depleted state.
Customer-focused service management for contact centers (2009)

Customer-focused service management results when contact center metrics are based on the customer's expectations. Today, contact centers are a primary touch point between a customer and an enterprise. We identify customer communications, business intelligence, service improvement, and business impact as the four main components of service management. Using real life examples, we show that the voice of the customer is the main driving force for each of these components.
Dehydrogenation of Imidazolines to Imidazoles with Pd-Carbon (1990)

Abstract A new and mild method for converting imidazoline derivatives to imidazole derivatives using Pd-C is described. The dehydrogenation of 2-and 2,4-disubstituted imidazolines is carried out in refluxing toluene using Pd-C in good yields. Mixed results are obtained with 4-substituted imidazolines.
Package level interconnect options (2005)

Scaling enhances intrinsic transistor performance and degrades interconnects. As the technology steps into nanometer era, global interconnects are becoming bottleneck for overall chip performance. In this paper, we show package level interconnects are an effective alternative for on-chip global wiring. These interconnects behave as LC transmission lines and can be exploited for their near speed of light transmission and low attenuation characteristics. We compare performance - bandwidth, bandwidth density, latency and power consumption - of the package level transmission lines with conventional on-chip global interconnects for different ITRS technology nodes. Based on these results, we show package level interconnects are well suited for power demanding low latency applications and we analyze different interconnect options like memory buses, long inter tile interconnects, clock and power distribution.
Compact 200 line MATLAB code for inverse design in photonics by topology optimization: tutorial (2020)

We provide a compact 200 line MATLAB code demonstrating how topology optimization (TopOpt) as an inverse design tool may be used in photonics, targeting the design of two-dimensional dielectric metalenses and a metallic reflector as examples. The physics model is solved using the finite element method, and the code utilizes MATLAB’s fmincon algorithm to solve the optimization problem. In addition to presenting the code itself, we briefly discuss a number of extensions and provide the code required to implement some of these. Finally, we demonstrate the superiority of using a gradient-based method compared to a genetic-algorithm-based method (using MATLAB’s ga algorithm) for solving inverse design problems in photonics. The MATLAB software is freely available in the paper and may be downloaded from https://www.topopt.mek.dtu.dk .
Evaluation of data acquisition scheme in a new myocardial SPECT system (2004)

The purpose of our research is to develop a new data acquisition scheme for myocardial single photon emission CT (SPECT) with a semiconductor detector. The gamma camera with a semiconductor detector enables us to measure projection data with arbitrary angles because the detector is smaller than that in ordinary gamma cameras with a scintillation detector. The proposed data acquisition scheme is to measure projection data with angles where the signal to noise ratio in projection data is relatively high. We proposed this new data acquisition and image reconstruction method. In this study we evaluated the performance of the proposed method by simulations and a basic experiment. In the simulation we used spatial resolution phantoms and the MCAT phantom, and in the experiment we used a spatial resolution phantom with hot rods and cold rods. The results obtained showed us the possibilities of the proposed method.
Principal Component Mapping Applied to Raman Microspectroscopy of Fiber-Reinforced Polymer Composites (1998)

Article Principal Component Mapping Applied to Raman Microspectroscopy of Fiber-Reinforced Polymer Composites was published on June 1, 1998 in the journal Science and Engineering of Composite Materials (volume 7, issue 1-2).
Polymeric patterns from natural templates for tribological applications (2006)

In this paper, we report on the replication of surface topography of natural leaves such as Lotus and Colocasia onto thin polymeric films using a capillarity-directed soft lithographic technique. PDMS molds were used to replicate the surfaces. The replication was carried out on poly(methyl methacrylate) (PMMA) film coated on silicon wafer. The patterns so obtained were investigated for their friction properties at micro-scale using a ball-on-flat type micro-tribo tester, under reciprocating motion. Soda lime balls (1 ㎜ diameter) were used as counterface sliders. Friction tests were conducted at a constant applied normal load of 3000 μN and speed of 1㎜/s. All experiments were conducted at ambient temperature (24±1℃) and relative humidity (45±5%). Results showed that the patterned samples exhibited superior tribological properties when compared to the silicon wafer and non-patterned sample (PMMA thin film). The reduced real area of contact projected by the surfaces was the main reason for their enhanced friction property.
Novel Arylazoarylmethane as Potential Inhibitor of Macrophage Migration Inhibitory Factor (2013)

Macrophage migration inhibitory factor (MIF), a cytokine involved in the pathogenesis of sepsis, diabetes, asthma, arthritis, and cancer, has an enzymatic active site that has proven to be an effective target for small molecule-based inhibitors. Herein, we describe the synthesis of a novel arylazoarylmethane compound (3) from a known arylhydrazone MIF inhibitor (2). This new compound has improved stability and in vivo biological activity.
Isolation and identification of 25-hydroxyvitamin D2 25-glucuronide: a biliary metabolite of vitamin D2 in the chick (1981)

The biliary metabolites of vitamin D2 obtained from chickens dosed with 3H-labeled vitamin D2 were investigated. Most of the biliary radioactivity migrated as charged compounds on diethylaminoethyl-Sephadex chromatography, and the charged fraction could be resolved into several components by reversed-phase high pressure liquid chromatography. A major charged metabolite was further purified by reversed-phase high-pressure liquid chromatography. This compound was found to be beta-glucuronidase sensitive and to yield 25-hydroxyvitamin D2 upon mild acid hydrolysis. The metabolite was converted first to the methyl ester and then to silylated and acetylated derivatives, which were subjected to mass spectrometry. The structure of the original metabolite was established as 25-hydroxyvitamin D2 25-beta-D-glucuronic acid. This 25-hydroxyvitamin D2 25-beta-glucuronide is a major biliary metabolite of vitamin D2 in the chick and may play a role in the chick's discrimination against vitamin D2.
Static-to-dynamic field conversion with time-varying media (2022)

We theoretically demonstrate that a uniform static electric field distribution can be partially converted to radiation fields when a portion of the medium undergoes a temporal change of its permittivity. An in-depth theoretical investigation of this phenomenon is developed for a dielectric block with a steplike temporal change located inside a waveguide charged with a DC voltage source. Closed analytical expressions are derived for the radiated electric and magnetic fields. The exchange of energy between the electrostatic and electromagnetic fields is discussed. The reconciliation between the seemingly contradictory temporal and spatial boundary conditions for the electric and magnetic fields at the interface of the time-varying dielectric block is analyzed and elucidated. Our findings may provide an alternative solution for generating electromagnetic radiation based on time-varying media.
Identification of conditionally essential genes for growth of Pseudomonas putida KT2440 on minimal medium through the screening of a genome‐wide mutant library (2010)

In silico models for Pseudomonas putida KT2440 metabolism predict 68 genes to be essential for growth on minimal medium. In this study a genome-wide collection of single-gene P. putida KT2440 knockouts was generated by mini-Tn5 transposon mutagenesis and used to identify genes essential for growth in minimal medium with glucose. Our screening of the knockout library allowed us to rescue mutants for 48 different knockouts that were conditionally essential for growth on minimal medium. The in vivo screening showed that 24 of these mutants had a insertion in genes proposed to be conditionally essential based on in silico models, whereas another 24 newly implicated conditionally essential genes have been found. For 10 of the in silico proposed conditionally essential genes not found in the screening, knockout mutants were available at the Pseudomonas Reference Culture Collection. These mutants were tested for conditional growth on minimal medium, but none of them was shown to be essential, suggesting that the in silico proposal was inaccurate. Among the set of identified conditionally essential genes were a number of genes involved in the biosynthesis of certain amino acids and vitamins. Auxotrophs for all amino acids predicted by the in silico models were found and, in addition, we also found auxotrophs for proline, serine, threonine and methionine, as well as auxotrophs for biotin, nicotinate and vitamin B12 that were not predicted in silico. Metabolic tests were performed to validate the mutants' phenotypes. Auxotrophies for l-Arg, l-Leu, l-Pro and l-Cys were bypassed by external addition of the corresponding d-amino acids, suggesting the existence of number of d- to l-amino acid racemases encoded by the KT2440 genome. Therefore, the in vivo high-throughput analysis presented here provides relevant insights into the metabolic cross-road of biosynthetic pathways in this microorganism, as well as valuable information for the fine tuning of current in silico metabolic models.
Feature Alignment for the Analysis of Verbatim Text Transcripts (2017)

In the research of deliberative democracy, political scientists are interested in analyzing the communication models of discussions, debates, and mediation processes with the goal of extracting reoccurring discourse patterns from the verbatim transcripts of these conversations. To enhance the time-exhaustive manual analysis of such patterns, we introduce a visual analytics approach that enables the exploration and analysis of repetitive feature patterns over parallel text corpora using feature alignment. Our approach is tailored to the requirements of our domain experts. In this paper, we discuss our visual design and workflow, and we showcase the applicability of our approach using an experimental parallel corpus of political debates.
ChemInform Abstract: Ethynylation of Aryl Halides by a Modified Suzuki Reaction: Application to the Syntheses of Combretastatin A‐4 (VII), A‐5 (X), and Lunularic Acid (XIII). (1997)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Lubrication of polysilicon micromechanisms with self-assembled monolayers (1998)

Here, the authors report on the lubricating effects of self-assembled monolayers (SAMs) on MEMS by measuring static and dynamic friction with two polysilicon surface- micromachined devices. The first test structure is used to study friction between laterally sliding surfaces and with the second, friction between vertical sidewalls can be investigated. Both devices are SAM-coated following the sacrificial oxide etch and the microstructures emerge released and dry from the final water rinse. The coefficient of static friction, {mu}{sub s} was found to decrease from 2.1 {+-} 0.8 for the SiO{sub 2} coating to 0.11 {+-} 0.01 and 0.10 {+-} 0.01 for films derived from octadecyltrichloro-silane (OTS) and 1H,1H,2H,2H-perfluorodecyl-trichlorosilane (FDTS). Both OTS and FDTS SAM-coated structures exhibit dynamic coefficients of friction, {mu}{sub d} of 0.08 {+-} 0.01. These values were found to be independent of the apparent contact area, and remain unchanged after 1 million impacts at 5.6 {micro}N (17 kPa), indicating that these SAMs continue to act as boundary lubricants despite repeated impacts. Measurements during sliding friction from the sidewall friction testing structure give comparable initial {mu}{sub d} values of 0.02 at a contact pressure of 84 MPa. After 15 million wear cycles, {mu}{sub d} was found to rise to 0.27. Wear of the contacting surfaces was examined by SEM. Standard deviations in the {mu} data for SAM treatments indicate uniform coating coverage.