gebhart/patrepeval huggingface dataset:
55.2: Bipyridyl Oxadiazoles as a New Class of Durable and Efficient Electron‐Transporting Materials (2005)

Abstract We demonstrate a new class of high‐performance electron transporting (ET) molecular materials for organic light‐emitting devices (OLEDs.) The bipyridyl‐substituted oxadiazole derivatives potentially have excellent ET and electron‐accepting ability and also exhibit good thermal stability. We demonstrate for the first time that pure organic compounds, composed of only carbon, hydrogen, nitrogen, and oxygen, can provide good ET properties with practical operational durability in OLEDs.
Dissociative Photodetachment Dynamics of S2O2- (2001)

Photoelectron-photofragment coincidence spectroscopy is employed to study the dissociative photodetachment (DPD) dynamics of S2O2- at 258 nm. Experimental data and theoretical calculations show evidence for photodetachment from a trigonal form of S2O2-. The vertical detachment energy of this isomer was determined to be 3.73 ± 0.02 eV. An upper bound of 2.41 ± 0.14 eV is determined for the enthalpy of the reaction S2O2- → S + SO2 + e- at 0 K. The observed dynamics are interpreted in terms of dissociative photodetachment of S2O2- to S(3P) + SO2(1A1) + e-, S(1D) + SO2(1A1) + e-, and S2(3Σg-) + O2(3Σg-) + e- product channels. The S-atom channels are characterized by a large photofragment kinetic energy release and an anisotropic photofragment angular distribution peaked along the electric vector of the laser. The S2 channel has a low kinetic energy release consistent with elimination of highly vibrationally excited O2 from a strained form of the trigonal isomer.
Machine Learning Technologies and Their Applications for Science and Engineering Domains Workshop -- Summary Report (2016)

The fields of machine learning and big data analytics have made significant advances in recent years, which has created an environment where cross-fertilization of methods and collaborations can achieve previously unattainable outcomes. The Comprehensive Digital Transformation (CDT) Machine Learning and Big Data Analytics team planned a workshop at NASA Langley in August 2016 to unite leading experts the field of machine learning and NASA scientists and engineers. The primary goal for this workshop was to assess the state-of-the-art in this field, introduce these leading experts to the aerospace and science subject matter experts, and develop opportunities for collaboration. The workshop was held over a three day-period with lectures from 15 leading experts followed by significant interactive discussions. This report provides an overview of the 15 invited lectures and a summary of the key discussion topics that arose during both formal and informal discussion sections. Four key workshop themes were identified after the closure of the workshop and are also highlighted in the report. Furthermore, several workshop attendees provided their feedback on how they are already utilizing machine learning algorithms to advance their research, new methods they learned about during the workshop, and collaboration opportunities they identified during the workshop.
Simulation of amine concentration dependence on line edge roughness after development in electron beam lithography (2008)

Line edge roughness (LER) of chemically amplified (CA) resist has evolved as a major class of issues when the required fabrication accuracy of future nanolithography gets close to the limit of materials. Near the material limit, processes have a significant impact on the limit of resist performance. In order to provide an insight into the mechanism of LER formation and survey the performance limit of CA resists, the LERs after development in positive-tone CA resist for electron beam lithography were investigated in terms of their dependences on the amine (quencher of proton/acid) concentration and exposure dose. The latent images formed during the acid formation and diffusion processes were simulated by a Monte Carlo technique. The development process described by Mack’s dissolution model was incorporated into the simulation. The LERs (high frequency) after development are discussed from the aspects of image contrast, acid diffusion length, and topography of developed pattern.
Development of a novel method to detect a potential inhalation of nanoaerosols (2011)

In the context of the precautionary principle for engineered nanoparticles, a test able to verify the non exposure of individuals to nanoaerosols seems to be of great interest, especially for workers involved with nanomaterials. A novel method is proposed to detect the presence of nanoparticles in the nose. Different materials, including paper and polycarbonate, have been tested for their sampling efficiency towards ZnO nanoparticles. The detection of nanoparticles is performed by elemental analysis using Total Reflection X-Ray Fluorescence (TXRF). For an optimal sensitivity of the TXRF signal, samples have to be deposited on a smooth surface. Therefore, different materials have been compared as sample carrier. The results indicate that pure paper is the most efficient material for sampling nanoparticles (ZnO), while the use of polycarbonate, and even more flexible polyester, as sample carrier allows a better sensitivity for TXRF analysis. Therefore, the sampling device made of paper is digested under slightly acidic conditions in a microwave oven after collection, and the resulting solution is deposited on polyester for TXRF analysis. Internal calibration is performed thanks to an addition of Rb to the samples. The proposed method allows the chemical identification of nanoparticles deposited in the nose: a qualitative signature of a potential nanoaerosol inhalation.
Characterization of exosomes secreted by HeLa cells used for small RNA deep sequencing. (2015)

&lt;p&gt;&lt;b&gt;(A)&lt;/b&gt; Immunoblot analysis of total cellular extract (30, 10 and 1 μg) from exosome-producing cells, and of 1 μg protein from exosome preparations. Hsc70, CD63, Annexin-1, CD9 and β-Actin: exosomal markers; EEA1: early endosome marker; GRP78: ER marker. &lt;b&gt;(B)&lt;/b&gt; Visualization of exosomes by electron microscopy. Bar corresponds to 100 nm. (C) Characterization of cellular and exosomal RNA. Electropherograms of total RNA isolated from HeLa cells and from RNAse A-treated exosomes. Upper panel: total RNA contents; lower panel: small RNA contents. M = marker. Shown are representative images for siContr-1-treated samples.&lt;/p&gt;
Measurement of Foam Quality of Activated Sludge in MBR Process (2005)

Abstract MBR (membrane bioreactor) process has been applied to wastewater treatment plants recently. It is well known that the most important point of the optimum maintenance is control of membrane clogging in the process. Suitable indices for operation and maintenance in MBR are desired to predict the timely cleaning period and carry out the effective cleaning of the membrane. A large amount of foam is sometimes produced in MBR facilities. Some foam seems to be produced by extracellular protein that is known to cause the membrane clogging. Therefore measurement methodology of foam quality produced by activated sludge in MBR process and characteristics of its extracellular polymer substances (EPS) were studied. The conclusions were: (1) EPS was able to be extracted by steaming treatment on the optimum condition at 105 °C for 30 minutes. (2) Bingham viscosity and yield stress of activated sludge were measured. The yield stress was contributed by EPS and this suggested that EPS was one important factor for foaming. (3) The measurement of foam quality using a video camera showed good performance. The foaming power and the foam stability increased proportionally with the concentration of protein in EPS. It was clear that the protein concentration in EPS was strongly related to the foam quality and quantity. (4) The foaming power decreased by addition of MLSS. This decrease was caused by adsorption of EPS to MLSS. Foaming in an aeration tank will be an index for membrane cleaning requirement.
Field-test results using a nacelle-mounted lidar for improving wind turbine power capture by reducing yaw misalignment (2014)

In this paper, a nacelle-mounted lidar was used to improve the yaw alignment of an experimental wind turbine. Using lidar-recorded data during normal operation, an error correction value for the nacelle vane wind direction measurement used in the yaw controller was determined. A field test was then conducted in which the turbine was operated with and without the correction applied to the yaw controller. Results demonstrated a significant increase in power capture. In addition, the study includes analysis on the impacts on loading of applying this yaw correction. The study demonstrates a successful application in field testing of using a nacelle-mounted lidar to improve turbine performance.
SINCERA: A Pipeline for Single-Cell RNA-Seq Profiling Analysis (2015)

A major challenge in developmental biology is to understand the genetic and cellular processes/programs driving organ formation and differentiation of the diverse cell types that comprise the embryo. While recent studies using single cell transcriptome analysis illustrate the power to measure and understand cellular heterogeneity in complex biological systems, processing large amounts of RNA-seq data from heterogeneous cell populations creates the need for readily accessible tools for the analysis of single-cell RNA-seq (scRNA-seq) profiles. The present study presents a generally applicable analytic pipeline (SINCERA: a computational pipeline for SINgle CEll RNA-seq profiling Analysis) for processing scRNAseq data from a whole organ or sorted cells. The pipeline supports the analysis for: 1) the distinction and identification of major cell types; 2) the identification of cell type specific gene signatures; and 3) the determination of driving forces of given cell types. We applied this pipeline to the RNA-seq analysis of single cells isolated from embryonic mouse lung at E16.5. Through the pipeline analysis, we distinguished major cell types of fetal mouse lung, including epithelial, endothelial, smooth muscle, pericyte, and fibroblast-like cell types, and identified cell type specific gene signatures, bioprocesses, and key regulators. SINCERA is implemented in R, licensed
A Motion Retargeting Method for Effective Mimicry-based Teleoperation of Robot Arms (2017)

In this paper, we introduce a novel interface that allows novice users to effectively and intuitively tele-operate robot manipulators. The premise of our method is that an interface that allows its user to direct a robot arm using the natural 6-DOF space of his/her hand would afford effective direct control of the robot; however, a direct mapping between the user's hand and the robot's end effector is impractical because the robot has different kinematic and speed capabilities than the human arm. Our key technical idea that by relaxing the constraint of the direct mapping between hand position and orientation and end effector configuration, a system can provide the user with the feel of direct control, while still achieving the practical requirements for telemanipulation, such as motion smoothness and singularity avoidance. We present methods for implementing a motion retargeting solution that achieves this relaxed control using constrained optimization and describe a system that utilizes it to provide real-time control of a robot arm. We demonstrate the effectiveness of our approach in a user study that shows novice users can complete a range of tasks more efficiently and enjoyably using our relaxed-mimicry based interface compared to standard interfaces.
Depolarization of a Pb(Zr52Ti48)O3 Polycrystalline Piezoelectric Energy-Carrying Element of Compact Pulsed Power Generator by a Longitudinal Shock Wave (2005)

A poled lead zirconate titanate Pb(Zr <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">52</sub> Ti <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">48</sub> )O <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</sub> polycrystalline piezoelectric ceramic energy-carrying element of a compact explosive-driven pulsed power generator was depolarized by an explosive shock wave traveling along the polarization vector P <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">0</sub> . We show that shock wave compression of a ferroelectric energy- carrying element at pressures of 1.5-3.8 GPa caused almost complete depolarization of the sample. The shock wave velocity in the Pb(Zr <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">52</sub> Ti <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">48</sub> )O <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</sub> was determined to be 3.94 plusmn 0.27 km/s. The electric charge stored in the ferroelectrics, due to their remnant polarization, is released during a short time interval, and can be transformed into pulsed power. Compact explosive-driven sources of primary power utilizing longitudinal shock wave depolarization of Pb(Zr <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">52</sub> Ti <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">48</sub> )O <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</sub> are capable of producing pulses of high voltage, with amplitudes up to 22 kV and peak powers up to 0.35 MW.
Genome‐wide small nucleolar RNA expression analysis of lung cancer by next‐generation deep sequencing (2014)

Emerging evidence indicates that small nucleolar RNAs (snoRNAs), a class of small noncoding RNAs, may play important function in tumorigenesis. Nonsmall-cell lung cancer (NSCLC) is the number one cancer killer for men and women. Systematically characterizing snoRNAs in NSCLC will develop biomarkers for its early detection and prognostication. We used next-generation deep sequencing to comprehensively characterize snoRNA profiles in 12 NSCLC tissues. We used quantitative reverse transcription polymerase chain reaction (qRT-PCR) to verify the findings in 40 surgical Stage I NSCLC specimens and 126 frozen NSCLC tissues of different stages. The 126 NSCLC tissues were divided into a training set and a testing set. Deep sequencing identified 458 snoRNAs, of which, 29 had a ≥3.0-fold expression level change in Stage I NSCLC tissues versus normal tissues. qRT-PCR analysis showed that 16 of 29 snoRNAs exhibited consistent changes with deep sequencing data. The 16 snoRNAs exhibited 0.75-0.94 area under receiver-operator characteristic curve values in distinguishing lung tumor from normal lung tissues (all ≤0.0001) with 70.0-95.0% sensitivity and 70.0-95.0% specificity. Six genes (snoRA47, snoRA68, snoRA78, snoRA21, snoRD28 and snoRD66) were identified whose expressions were associated with overall survival of the NSCLC patients. A prediction model consisting of three genes (snoRA47, snoRA68 and snoRA78) was developed in the training set of 77 cases, which could significantly predict overall survival of the NSCLC patients (p < 0.0001). The prognostic performance of the prediction model was confirmed in the testing set of 49 NSCLC patients. The identified snoRNA signatures may provide potential biomarkers for the early detection and prognostication of NSCLC.
Effect of Freezing on the Level of Contaminants in Uncontrolled Hazardous Waste Sites. Part 1. Literature Review. (1986)

This report reviews the literature concerning the effects of ground freezing on uncontrolled hazardous waste sites. Since there was very little information directly related to hazardous waste materials, previous studies on the beneficial use and impact of freezing on wastewater, sea water, sludges and soils have been included. Freezing of uncontrolled hazardous waste sites may cause frost heaving of buried waste material, allowing chemical wastes to move upward, and chemical transport of ions in freezing and frozen soils. Also, repeated cycles of freeze-thaw may adversely affect the durability of clay liners being used to cover hazardous waste sites. Ground freezing can be used beneficially to 1) dewater and consolidate hazardous waste materials, particularly slurry-type wastes; 2) serve as an alternative to slurry walls, trenches, etc., to separate contaminated areas; and 3) immobilize the contaminants, particularly if time is a critical factor. All hardware needed for artificial ground freezing is available, and in the United States there are at least three commercial firms equipped to do such work. In addition to the versatility of this technique, little or no environmental impact is associated with its use. A hypothetical example using artificial ground freezing is presented to illustrate both the data needed to analyze a situation and the costs involved.
Management of an ACCase ‐inhibitor‐resistant Lolium rigidum population based on the use of ALS inhibitors: weed population evolution observed over a 7 year field‐scale investigation (2012)

At the end of the experiment, multiple-resistant individuals were found in all samples coming from the control strategies investigated. The biennial rotation between ALS and other MoA appeared to delay the development of resistance to SUs over continuous treatments, but additional measures will likely need to be taken in order to make this sustainable in the long term, whereas the field efficacy of SUs remained relatively high until the end of the experiment. Integrated weed management with more diversity should be introduced in oversimplified cropping systems in order to sustainably manage resistant L. rigidum populations.
LU Decomposition on GPUs: The Impact of Memory Access (2010)

Graphics Processing Units (GPUs) are emerging as an attractive computing platform for general purpose computations due to their extremely high floating-point processing performance and their comparatively low cost. In the context of dense linear algebra, the LU decomposition represents a fundamental step in many computationally intensive scientific applications. The use of GPUs can accelerate the computation many times the speed of a single CPU. In this work, we investigate different implementations of the LU decomposition algorithm in a GPU. Our main goal is to parallelize the LU decomposition to fit the highly parallel architecture of modern GPUs, and to evaluate different types of memory access and their impact on the execution time of the algorithm. The results demonstrate that the memory access pattern can significantly impact the performance of the GPU implementation.
Hydroxyapatite and porphyrin-fullerene nanoparticles for diagnostic and therapeutic delivery of paramagnetic ions and radionuclides (2018)

Nanoparticles for drug delivery are the subject of extensive research. Importantly, they can transform in size during synthesis or actual use, thereby changing their cytotoxic properties. The aim of the present work was to study the tendency of [67Zn] porphyrin-fullerene nanoparticles (BFNP) to aggregate over time and to compare the properties of hydroxyapatite (HAP) nanoparticles obtained through 3 different techniques. We found that aggregation of BFNP nanoparticles does not affect their function but attenuates their cytotoxicity against leukemia cells. We were also able to obtain HAP nanoparticles with programmable properties (such as size, shape or the capacity to adsorb metal ions, ligands and chemical complexes) through enzymatic synthesis by varying its conditions. The synthesized HAP nanoparticles contain short-lived isotopes of zinc and copper (in the form of ions and complexes with pyrimidine or thiazine derivatives). These tumoricidal components (a radionuclide and a ligand or a complex) determine the diagnostic and therapeutic potential of the obtained radiopharmaceutical agents.
Hydrogen in Palladium and Storage Properties of Related Nanomaterials: Size, Shape, Alloying, and Metal‐Organic Framework Coating Effects (2019)

One of the key issues for an upcoming hydrogen energy-based society is to develop highly efficient hydrogen-storage materials. Among the many hydrogen-storage materials reported, transition-metal hydrides can reversibly absorb and desorb hydrogen, and have thus attracted much interest from fundamental science to applications. In particular, the Pd-H system is a simple and classical metal-hydrogen system, providing a platform suitable for a thorough understanding of ways of controlling the hydrogen-storage properties of materials. By contrast, metal nanoparticles have been recently studied for hydrogen storage because of their unique properties and the degrees of freedom which cannot be observed in bulk, i. e., the size, shape, alloying, and surface coating. In this review, we overview the effects of such degrees of freedom on the hydrogen-storage properties of Pd-related nanomaterials, based on the fundamental science of bulk Pd-H. We shall show that sufficiently understanding the nature of the interaction between hydrogen and host materials enables us to control the hydrogen-storage properties though the electronic-structure control of materials.
Sepsis therapies: learning from 30 years of failure of translational research to propose new leads (2020)

Sepsis has been identified by the World Health Organization (WHO) as a global health priority. There has been a tremendous effort to decipher underlying mechanisms responsible for organ failure and death, and to develop new treatments. Despite saving thousands of animals over the last three decades in multiple preclinical studies, no new effective drug has emerged that has clearly improved patient outcomes. In the present review, we analyze the reasons for this failure, focusing on the inclusion of inappropriate patients and the use of irrelevant animal models. We advocate against repeating the same mistakes and propose changes to the research paradigm. We discuss the long-term consequences of surviving sepsis and, finally, list some putative approaches-both old and new-that could help save lives and improve survivorship.
CA-RBAC: Context Aware RBAC Scheme in Ubiquitous Computing Environments (2010)

Role based access control (RBAC) assigns access permissions to a role rather than a user. This simplifies access control management by simply assigning appropriate roles to users and by modifying the permissions of the roles. With the advent of ubiquitous com-puting, many kinds of services, especially personalized services to give convenience to users, have been introduced. Among them, providing proper access permissions to users based on the current context has become an important issue because their status and ac-cess privilege should be dynamically changed. Previously, various access control meth-ods utilizing context awareness have been proposed; however, their constraint descrip-tion methods, used to assign a role to a user, are quite complex and not enough to express detailed context. Also, they do not fully cover the various situations that can be occurred in ubiquitous computing environments. In this paper, we propose an access control scheme, combining RBAC with context awareness, to give proper privilege to users based on their current context in ubiquitous computing environments. Our scheme de-fines the constraints for assigning a role and modifying the permissions of each role, enabling more detailed descriptions. We also provide various access control algorithms to support diverse situations which occur in ubiquitous computing environments.