gebhart/patrepeval huggingface dataset:
Aqueous Suzuki Coupling Reactions of Basic Nitrogen-Containing Substrates in the Absence of Added Base and Ligand: Observation of High Yields under Acidic Conditions (2016)

A series of aqueous heterogeneous Suzuki coupling reactions of substrates containing basic nitrogen centers with phenylboronic acid in the absence of added base and ligand is presented. High yields of products were obtained by employing aryl bromides containing aliphatic 1°, 2°, and 3° amine substituents, and good to high yields were obtained by employing a variety of substituted bromopyridines. In the former series, the pH of the aqueous phase changed from basic to acidic during the course of the reaction, while in the latter series the aqueous phase was on the acidic side of the pH scale throughout the entire course of reaction. A mechanistic interpretation for these observations, which generally preserves the oxo palladium catalytic cycle widely accepted in the literature, is presented.
Highly piezoelectric co-doped AlN thin films for wideband FBAR applications (2014)

In this paper, we report new piezoelectric materials composed of charge-compensated co-doped (Mg, β) <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">x</sub> Al <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">1-x</sub> N (β = Zr or Hf). The effect of the dopant element into AlN on chemical stability, crystal structure, and piezoelectric property of co-doped AlN was determined on the basis of first-principles calculation, and the theoretical piezoelectric property was confirmed by experimentally depositing thin films of magnesium (Mg) and zirconium (Zr) co-doped AlN (Mg-Zr-doped AlN). The Mg-Zr-doped AlN thin films were prepared on Si (100) substrates by a triple-radio-frequency magnetron reactive co-sputtering system. The crystal structures and piezoelectric coefficients (d <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">33</sub> ) of the films were investigated as a function of their concentrations, which were measured by X-ray diffraction and a piezometer. The investigation results show that d <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">33</sub> of Mg-Zr-doped AlN at total Mg and Zr concentrations (both expressed as x) of 0.35 is 280% larger than that of pure AlN. The experimentally measured parameter of the crystal structure and d <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">33</sub> of Mg-Zr-doped AlN (plotted as functions of total Mg and Zr concentrations) are in very close agreement with the corresponding values obtained by first-principle calculations. Thin film bulk acoustic wave resonators (FBARs) employing (Mg,Zr) <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">0.13</sub> Al <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">0.87</sub> N and (Mg,Hf) <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">0.13</sub> Al <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">0.87</sub> N as a piezoelectric thin film were fabricated, and their resonant characteristics were evaluated. As a result, the measured electromechanical coupling coefficient was found to increase from 7.1% (for pure AlN) to 8.5% for Mg-Zr-doped AlN and 10.0% for Mg-Hf-doped AlN. These results indicate that co-doped (Mg, β) <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">x</sub> Al <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">1-x</sub> N (β = Zr or Hf) films have potential as piezoelectric thin films for wideband RF applications.
Direct Observation of Growth of Lamellae and Spherulites of a Semicrystalline Polymer by AFM (2000)

The dynamic growth processes of lamellae and spherulites of a polymer (BA-C8) synthesized by condensation polymerization of bisphenol A and 1,8-dibromooctane were directly observed using an atomic force microscope at 25±1 °C. The phase shift measured at the tip of growing lamellae is lower than the phase shifts of the other regions of the lamellae. This result indicates that the growth front of a lamella is softer and contains more defects than the developed ones. The growth process of lamellae and the formation of spherulites were studied. A lamella was observed to breed more lamellae by inducing adjacent secondary nuclei and to develop into a lamellar sheaf and finally into a spherulite. The lamellae were preferentially oriented edge-on with respect to the surface of the BA-C8 polymer thin films. The detailed observations on the formation of the secondary nuclei indicated that the branching of the lamellae was only a temporary growth stage of the secondary lamellae. At the branch point, the secondary lamellae could propagate in both backward and forward directions with respect to the growth direction of the parent lamellae.
Ultrakurze Laserpulse – Erzeugung und Anwendung (2005)

Abstract Seit einigen Jahren sind Ultrakurzpulslaser vom Entwicklungsstadium zu nützlichen Instrumenten herangereift, die in der Hochfeldphysik und der Metrologie Anwendung finden. Heute decken Ultrakurzpulslaser das gesamte Spektrum ab zwischen Pulsenergien im sub‐μJ‐Bereich bei Repetitionsraten von einigen MHz und hochenergetischen Pulsen mit Spitzenleistungen im Terawattbereich bei Wiederholraten von einigen kHz.
Machine learning approach to differentiation of peripheral schwannomas and neurofibromas: A multi-center study (2021)

The radiomics-based classifiers developed here proved to be more accurate and had a higher AUC on the ROC curve than expert human evaluators. This demonstrates that radiomics using routine MRI sequences and clinical features can aid in differentiation of peripheral schwannomas and neurofibromas.
Proteomic identification of molecular targets of gambogic acid: Role of stathmin in hepatocellular carcinoma (2008)

Gamboge has been developed as an injectable drug for cancer treatment in China. In this study, the inhibition ratio and their IC(50) values of two derivatives from Gamboge in hepatocellular carcinoma (HCC) were determined. Proteomic approach was employed to reveal the target proteins of these two derivatives, gambogic acid (GA), and gambogenic acid (GEA). HCC cells were cultured under varied conditions with the addition of either GA or GEA. Twenty differentially expressed proteins were identified and the four most distinctly expressed proteins were further validated by Western blotting. GA and GEA revealed inhibitory effects on HCC cell proliferation. The expression of cyclin-dependent kinase 4 inhibitor A and guanine nucleotide-binding protein beta subunit 1 were upregulated by both xanthones, whilst the expression of 14-3-3 protein sigma and stathmin 1 (STMN1) were downregulated. Furthermore, overexpression of STMN1 in HCC cells decreased their sensitivity, whilst small interfering RNAs targeting STMN1 enhanced their sensitivity to GA and GEA. In conclusion, our study suggested for the first time that STMN1 might be a major target for GA and GEA in combating HCC. Further investigation may lead to a new generation of anticancer drugs exerting synergistic effect with conventional therapy, thus to promote treatment efficacy.
Unprecedented Stylissazoles A–C from Stylissa carteri: Another Dimension for Marine Pyrrole‐2‐aminoimidazole Metabolite Diversity (2010)

Vielfalt erhöht: Drei Pyrrol-2-aminoimidazol-Alkaloide wurden aus dem Meeresschwamm Stylissa carteri isoliert. Es handelt sich um ausschließlich N-C-gebundene „Dimere“, was auf einen speziellen Dimerisierungsweg hinweist und der molekularen Vielfalt dieser Alkaloidklasse eine weitere Dimension hinzufügt.
Integrated Hypersonic Aeromechanics Tool (IHAT) (2002)

The IHAT System is a tool suite for configuration optimization of high speed airbreathing flight vehicles currently under development. The focus of the System is on high speed tactical weapons (Mach 4-8 regime) with relatively long range. The hypersonic flight regime of the weapons results in unique requirements for the analysis, design, and optimization tool suite. While the requirements for tactical weapons systems are quite different from those for launch vehicles, strategic weapons systems, and high speed aircraft, they share the characteristic that they are highly integrated configurations. For such highly integrated configurations, the traditional disciplinary lines between vehicle components tend to disappear as, for example, the structure becomes more tightly integrated with the propulsion system. Due to the highly integrated nature of the configurations, traditional stovepipe design methods have not been successful in defining a viable configuration for this type of mission. It is expected that an integrated approach to the analysis, design, and optimization of the entire vehicle will allow interactions between the disciplines to be understood and exploited. This will allow for the development of viable long range hypersonic vehicles. The IHAT System is an effort to provide such an integrated analysis/optimization toolset. IHAT is being developed by a government/ industry team using multiple, incremental builds. This paper describes the first build (Build 1) of the IHAT System.
Architecture for Integrated Mems Resonators Quality Factor Measurement (2008)

In this paper, an architecture designed for electrical measurement of the quality factor of MEMS resonators is proposed. An estimation of the measurement performance is made using PSPICE simulations taking into account the component's non-idealities. An error on the measured Q value of only several percent is achievable, at a small integration cost, for sufficiently high quality factor values (Q &gt; 100).
<title>Optical true-time-delay lines using polyimide-based waveguides for wideband phased-array antennas</title> (2000)

This paper reports our efforts to develop an optical True- Time-Delay line module for Phased Array Antenna applications using optical polymeric waveguides. We first give a brief description of a targeted phased array antenna, having chosen a 16-element sub-array as our demonstration system. Then we address the design considerations of the True-Time- Delay lines pattern based on the sub-array antenna's parameters, including simulations we have done to optimize the building blocks of the pattern: splitters, arcs' curvature, and crossings. Finally, we describe the steps of a modified fabrication process and present the primary result. Our experiment shows that the polyimide-based waveguide has a promising future because it has high fabrication precision and packaging density.
SU-D-18A-02: Towards Real-Time On-Board Volumetric Image Reconstruction for Intrafraction Target Verification in Radiation Therapy (2014)

Purpose: To expedite on-board volumetric image reconstruction from limited-angle kV—MV projections for intrafraction verification. Methods: A limited-angle intrafraction verification (LIVE) system has recently been developed for real-time volumetric verification of moving targets, using limited-angle kV—MV projections. Currently, it is challenged by the intensive computational load of the prior-knowledge-based reconstruction method. To accelerate LIVE, we restructure the software pipeline to make it adaptable to model and algorithm parameter changes, while enabling efficient utilization of rapidly advancing, modern computer architectures. In particular, an innovative two-level parallelization scheme has been designed: At the macroscopic level, data and operations are adaptively partitioned, taking into account algorithmic parameters and the processing capacity or constraints of underlying hardware. The control and data flows of the pipeline are scheduled in such a way as to maximize operation concurrency and minimize total processing time. At the microscopic level, the partitioned functions act as independent modules, operating on data partitions in parallel. Each module is pre-parallelized and optimized for multi-core processors (CPUs) and graphics processing units (GPUs). Results: We present results from a parallel prototype, where most of the controls and module parallelization are carried out via Matlab and its Parallel Computing Toolbox. The reconstruction is 5 times faster on a data-set of twice the size, compared to recently reported results, without compromising on algorithmic optimization control. Conclusion: The prototype implementation and its results have served to assess the efficacy of our system concept. While a production implementation will yield much higher processing rates by approaching full-capacity utilization of CPUs and GPUs, some mutual constraints between algorithmic flow and architecture specifics remain. Based on a careful analysis of the prototype performance, it will be feasible to resolve such issues through appropriate algorithmic modifications or special-purpose hardware, thus enabling target verification in seconds with the LIVE system. This work was partially supported by a research grant from Varian Medical Systems.
Characterization of Structure and Damage in Materials in Four Dimensions (2010)

The materials characterization toolbox has recently experienced a number of parallel revolutionary advances, foreshadowing a time in the near future when materials scientists can quantify material structure across orders of magnitude in length and time scales (i.e., in four dimensions) completely. This paper presents a viewpoint on the materials characterization field, reviewing its recent past, evaluating its present capabilities, and proposing directions for its future development. Electron microscopy; atom-probe tomography; X-ray, neutron and electron tomography; serial sectioning tomography; and diffraction-based analysis methods are reviewed, and opportunities for their future development are highlighted. Particular attention is paid to studies that have pioneered the synergetic use of multiple techniques to provide complementary views of a single structure or process; several of these studies represent the state-of-the-art in characterization, and suggest a trajectory for the continued development of the field. Based on this review, a set of grand challenges for characterization science is identified, including suggestions for instrumentation advances, scientific problems in microstructure analysis, and complex structure evolution problems involving materials damage. The future of microstructural characterization is proposed to be one not only where individual techniques are pushed to their limits, but where the community devises strategies of technique synergy to address complex multiscale problems in materials science and engineering.
Chemical physics of fluorine plasma-etched silicon surfaces: Study of surface contaminations (1990)

F2 plasma-Si(100) surface interaction experiments have been conducted to understand basic mechanisms of surface modifications. Surface analysis has been investigated using x-ray photoelectron spectroscopy and nuclear reaction analysis. The experiments show deep penetration of fluorine into silicon and limitation of etching caused by oxide layers coming from contamination of the plasma by removal of oxygen from alumina walls of the reactor. Biasing of the silicon substrate enhanced carbon contamination.
Profilin, a Novel Plant Pan-Allergen (1992)

Recently we identified birch profilin as a novel pollen allergen which showed significant sequence homology with profilins from different eukaryotic organisms. Profilins were described to control actin polymerization and to participate in signal transduction via the phosphoinosite pathway, but have so far been unknown in plants. The ubiquitous occurrence of profilins in eukaryotes led us to the hypothesis that profilins may fulfill similar funtions in plants as known in other eukaryotes. Here we report on the identification of profilins as functional plant pan-allergens in distantly related plants. The ubiquitous occurrence of profilins in distantly related plants as allergenic structures provides a molecular basis for the frequently observed phenomenon of cross-sensitization towards distantly related plant species in allergic patients.
A dynamic resource allocation strategy for satellite communications (2005)

The focus of this paper is dynamic resource allocation algorithms for sharing the limited uplink resources of a future satellite system among many bursty users with varying QoS requirements. The data rates provided to each terminal are selected to differentiate between multiple QoS priority levels, provide fairness, and to maximize system capacity under time-varying channel conditions and traffic loads. The proposed resource schedulers are compared to alternative approaches and shown to provide dramatic improvements in both the average data rates and delay characteristics experienced by the users.
Chronic Rejection in Experimental Cardiac Transplantation: Studies in the Lewis‐F344 Model (1993)

Despite recognition of chronic vascular injection by numerous investigators since the beginning of experimental and solid organ transplantation, the pathogenesis of graft arteriosclerosis remains poorly understood. We have defined a reproducible model of this disease by transplanting heterotopic cardiac grafts across minor histocompatibility barriers using inbred strains of rat. We found that long-term surviving Lewis grafts in untreated F344 recipients are subjected to a chronic rejection process which results in the development of diffuse graft arteriosclerotic lesions, indistinguishable in appearance from those seen in human cardiac grafts. Immunohistochemical studies confirm that end-stage lesions are similar in composition to human lesions, made up predominantly of vascular smooth muscle cells with occasional monocytes and T cells. Analysis of serial rejecting allografts demonstrates that a distinct inflammatory stage precedes smooth muscle cell accumulation in areas of intimal thickening, suggesting that mononuclear cells play a role in the developing lesion. Endothelial expression of class II and ICAM-1 appears to lead to early mononuclear cell adherence to the endothelium. Analysis using quantitative RT-PCR confirms that MCP-1 is expressed by ED1-positive monocyte/macrophages in rejecting cardiac grafts, suggesting that this chemoattractant may help drive mononuclear cell accumulation in the expanding intima. Immunohistochemical labelling of PDGF, TNF, and IL-1 in vascular lesions suggests that these growth factors may trigger intimal vascular smooth muscle cell proliferation in chronically rejecting allografts. Hypercholesterolemia did not enhance the severity of lesion development in long-term surviving allografts, suggesting that lipid levels are not a major etiologic factor in graft arteriosclerotic lesion formation in the Lewis-F344 model. Finally, the dietary manipulation of EFAD reduced graft infiltration by mononuclear cells and markedly diminished arterial lesion development in chronically rejecting grafts. Heparin anologues have previously been shown to inhibit proliferative vascular smooth muscle cell lesions in rats following endothelial injury (Clowes & Karnovsky 1977), and we are currently assessing the role of heparin in the therapy of graft arteriosclerosis in the Lewis-F344 model. We are also investigating the role of CD4-positive mononuclear cells in the pathogenesis of lesion development, using the anti-CD4 monoclonal antibody BWH-4 to deplete recipients of CD4-positive cells (Sayegh et al. 1991). In summary, our studies in the Lewis-F344 model suggest that monocyte/macrophages play an important role in the pathogenesis of cardiac graft arteriosclerosis. Future studies utilizing this model should help further elucidate the mechanisms resulting in--and help define potential therapies for--chronic rejection in cardiac transplantation.
Premenstrual syndrome: comparison between different methods to diagnose cyclicity using daily symptom ratings. (1998)

Three of the methods used seem to identify the same patients as having or not having cyclical changes and probably also then finding the same biological and/or psychological factor being responsible for the cyclicity. There were, however, some differences in outcome of validity testing and the 30%-change methods seem less valid than the other three methods. Due to its simplicity and theoretical/statistical advances the Run-test seems most preferable.
Process optimization of templated DSA flows (2014)

Directed Self-Assembly (DSA) of Block Co-Polymers (BCP) has become an intense field of study as a potential patterning solution for future generation devices. The most critical challenges that need to be understood and controlled include pattern placement accuracy, achieving low defectivity in DSA patterns and how to make chip designs DSA-friendly. The DSA program at imec includes efforts on these three major topics. Specifically, in this paper the progress in setting up flows for templated DSA within the imec program will be discussed. A process has been implemented based on a hard mask as the template layer. In this paper primarily the impact of local pattern density and BCP film thickness on the templated DSA process are discussed. The open hole rate and the placement accuracy of BCP patterns within the template are the primary figures of merit.
Low-Temperature Propylene Epoxidation Activity of CuO–CeO2 Catalyst with CO + O2: Role of Metal–Support Interaction on the Reducibility and Catalytic Property of CuOx Species (2020)

Epoxidation of propylene into propylene oxide (PO) in the gas phase is a highly challenging reaction. Cu-based catalysts have been active for this reaction, but the state of Cu as an active species is still debatable. In this paper, we report the propylene epoxidation activity of solution combustion synthesized Cu/CeO2 catalysts with the CO + O2 mixture at low temperatures (50–100 °C) peaking at ∼80 °C. The highest PO yield was obtained with 20–25% Cu loading in CeO2. In contrast, the reaction over the catalyst containing nonreducible support such as Cu/SiO2 occurred above 170 °C. Detailed structural characterization indicated two types of Cu species such as Cu2+ partly (∼3%) dissolved in CeO2 forming a CuxCe1–xO2−δ phase and the remaining amount formed highly dispersed CuO as a separate phase. Thus, the highest activity relates to the optimum presence of CuO along with Ce1–xCuxO2−δ. The reducibility of the Cu species in two phases was significantly shifted toward lower temperatures, indicating strong electronic interaction between the two phases. The substituted Cu2+ was reduced first, and then, the bulk CuO reduction was initiated. In situ spectroscopic studies showed Cu+ formation from Cu2+ over Cu/CeO2 catalysts even at room temperature unlike in CeO2 or CuO + CeO2 physical mixtures, indicating strong electronic interaction between Ce1–xCuxO2−δ and CuO phases on CO adsorption in the Cu/CeO2 catalyst. It is proposed that substituted Cu2+ along with Ce4+ is reduced easily, and then, Ce3+ promotes the reduction of the interfacial CuO phase that might donate active oxygen species for epoxidation reaction.
Heteroatom Assisted Isomerization of Epoxides: An Easy Access to Masked β-Hydroxy Aldehydes (1992)

The lithium diisopropylamide-potassium tert-butoxide induced isomerization of β-alkoxy substituted epoxides 1 occurs regio- and stereoselectively affording γ-hydroxyenol ethers 2. The latter compounds can be hydrolyzed to protected aldols or α,β-unsaturated aldehydes.