gebhart/patrepeval huggingface dataset:
Small Reorganization Energies of Photoinduced Electron Transfer between Spherical Fullerenes (2013)

Rate constants of photoinduced electron transfer between spherical fullerenes were determined using triscandium nitride encapsulated C80 fullerene (Sc3N@C80) as an electron donor and the triplet excited state of lithium ion-encapsulated C60 fullerene (Li(+)@C60) as an electron acceptor in polar and less polar solvents by laser flash photolysis measurements. Upon nanosecond laser excitation at 355 nm of a benzonitrile (PhCN) solution of Li(+)@C60 and Sc3N@C80, electron transfer from Sc3N@C80 to the triplet excited state [(3)(Li(+)@C60)*] occurred to produce Sc3N@C80(•+) and Li(+)@C60(•-) (λ(max) = 1035 nm). The rates of the photoinduced electron transfer were monitored by the decay of absorption at λ(max) = 750 nm due to (3)(Li(+)@C60)*. The second-order rate constant of electron transfer from Sc3N@C80 to (3)(Li(+)@C60)* was determined to be k(et) = 1.5 × 10(9) M(-1) s(-1) from dependence of decay rate constant of (3)(Li(+)@C60)* on the Sc3N@C80 concentration. The rate constant of back electron transfer from Li(+)@C60(•-) to Sc3N@C80(•+) was also determined to be k(bet) = 1.9 × 10(9) M(-1) s(-1), which is close to be the diffusion limited value in PhCN. Similarly, the rate constants of photoinduced electron transfer from C60 to (3)(Li(+)@C60)* and from Sc3N@C80 to (3)C60* were determined together with the back electron-transfer reactions. The driving force dependence of log k(et) and log k(bet) was well fitted by using the Marcus theory of outer-sphere electron transfer, in which the internal (bond) reorganization energy (λi) was estimated by DFT calculations and the solvent reorganization energy (λs) was calculated by the Marcus equation. When PhCN was replaced by o-dichlorobenzene (o-DCB), the λ value was decreased because of the smaller solvation changes of highly spherical fullerenes upon electron transfer in a less polar solvent.
Increasing Rates and Scope of Reactions:  Sluggish Amines in Microwave-Heated Aminocarbonylation Reactions under Air (2003)

Commercially available molybdenum hexacarbonyl serves as a convenient and solid carbon monoxide source in palladium-catalyzed aminocarbonylations of aryl bromides and iodides. This improved microwave protocol, relying on DBU as base and THF as solvent, enables rapid couplings using otherwise sluggish anilines, tert-butylamine, and free amino acids. In addition, Cr(CO)(6) and W(CO)(6) were found to be useful alternative CO-releasing reagents. Altogether, 16 different aromatic amides were synthesized under air in 35-95% yield after only 15 min of controlled microwave irradiation.
Web scale taxonomy cleansing (2011)

Large ontologies and taxonomies are automatically harvested from web-scale data. These taxonomies tend to be huge, noisy, and contains little context. As a result, cleansing and enriching those large-scale taxonomies becomes a great challenge. A natural way to enrich a taxonomy is to map the taxonomy to existing datasets that contain rich information. In this paper, we study the problem of matching two web scale taxonomies. Besides the scale of the problem, we address the challenge that the taxonomies may not contain enough context (such as attribute values). As existing entity resolution techniques are based directly or indirectly on attribute values as context, we must explore external evidence for entity resolution. Specifically, we explore positive and negative evidence in external data sources such as the web and in other taxonomies. To integrate positive and negative evidence, we formulate the entity resolution problem as a problem of finding optimal multi-way cuts in a graph. We analyze the complexity of the problem, and propose a Monte Carlo algorithm for finding greedy cuts. We conduct extensive experiments and compare our approach with three existing methods to demonstrate the advantage of our approach.
Performance of transform and subband coding systems combined with harmonic scaling of speech (1980)

In this presentation we report on a nearly 2:1 reduction in the bit rate of two high quality waveform encoding schemes—adaptive transform coding (ATC) and subband coding, without impairing the quality of the reconstructed speech. The bit rate reduction is achieved by operating the waveform coders on a frequency scaled speech signal, occupying half of its original band. The frequency scaling is performed by a recently developed efficient time-domain harmonic scaling (TDHS) algorithm. This algorithm is pitch adaptive and is based on weighting adjacent pitch periods by an appropriately chosen window function. Once the pitch period is known, the TDHS algorithm can be implemented with only one multiplication and two additions per output sample. The aim of this study was to achieve high-quality, natural sounding speech at or below 9.6 kbit/s. By combining TDHS with ATC, high-quality encoded speech is demonstrated at 4.8 kbit/s. For high-quality speech at 9.6 kbit/s the combination of TDHS and subband coding offers a system with a lower complexity than ATC and which is potentially amenable for hardware implementation with current technology. Examples of computer processed speech by the above schemes will be played.
Prevalence and Characterization of Macrolide Resistance in Clinical Isolates of Streptococcus pneumoniae and Streptococcus pyogenes from North America (2002)

Resistance to macrolides is not a new phenomenon but it deserves attention because of the widespread use of these agents and their inclusion in many clinical guidelines for respiratory tract infections. The most common mechanisms by which Streptococcus pneumoniae and Streptococcus pyogenes develop resistance to macrolides is by target site modification (erythromycin ribosome methylase, erm) and efflux of the drug out of the organisms (macrolide efflux, mef). Target site modification may be of greater concern because it confers high-level resistance to all antimicrobials in the macrolide-lincosamide-streptograminB (MLSB) group. The genotype profiles of macrolide-resistant S. pneumoniae and S. pyogenes differ somewhat across regions in the US and between the US and Canada and other countries. There is some evidence for an association between macrolide resistance and treatment failure but this must be researched more fully. S. pneumoniae and S. pyogenes isolates resistant to macrolides are generally susceptible to ketolide antimicrobials because these agents bind more strongly to the relevant domain of the ribosomal subunit (withstanding erm resistance) and are less vulnerable to efflux compared to the macrolides.
Modeling Nonlinear Power Amplifiers in OFDM Systems from Subsampled Data: A Comparative Study Using Real Measurements (2003)

A comparative study among several nonlinear high-power amplifier (HPA) models using real measurements is carried out. The analysis is focused on specific models for wideband OFDM signals, which are known to be very sensitive to nonlinear distortion. Moreover, unlike conventional techniques, which typically use a single-tone test signal and power measurements, in this study the models are fitted using subsampled time-domain data. The in-band and out-of-band (spectral regrowth) performances of the following models are evaluated and compared: Saleh's model, envelope polynomial model (EPM), Volterra model, the multilayer perceptron (MLP) model, and the smoothed piecewise-linear (SPWL) model. The study shows that the SPWL model provides the best in-band characterization of the HPA. On the other hand, the Volterra model provides a good trade-off between model complexity (number of parameters) and performance.
Antimicrobial Activity of Medicinal Oil Plants against Human Pathogens from (2014)

Plant essential oils are potential source of antimicrobials of natural origin. Oil extracted from twenty nine medicinal plants were screened for their antimicrobial activity against human pathogenic bacteria and fungi causing skin diseases. The antimicrobial activity of 29 oils were investigated against Escherichia coli, Trichophyton rubrum and Candida albicans by agar well diffusion method, Minimum inhibitory concentrations (MICs) of oil (%v/v) done by agar well diffusion method. Most of the essential oils showed a relatively high antimicrobial activity against all the tested organisms. Of the essential oils studied, The maximum antimicrobial activity was shown by Calotropis gigantae followed by Semecarpus anacardium, Azadirachta indica, Datura stramonium, Coriandrum sativum, Luffa acutangula, Momordica cymbalaria, Gliricidia sepium, Hyptis sauveolens and Ocimum sanctum are more inhibitory activity against tested bacteria and fungi. C. gigantae showed good antimicrobial activity against tested bacteria and fungi with MIC values ranging from 0.62 to 40 mg/mL using inhibitory zone estimation. The effects of the plant extract were compared with those of Ketoconazole for fungi and Streptomycin sulphate for bacteria. The results obtained suggest that C. gigantae has antimicrobial activity. These results support the plant oils can be used to cure skin diseases and plant oils may have role as pharmaceutical and preservatives.
GRACE: Generating Concise and Informative Contrastive Sample to Explain Neural Network Model's Prediction (2019)

Despite the recent development in the topic of explainable AI/ML for image and text data, the majority of current solutions are not suitable to explain the prediction of neural network models when the datasets are tabular and their features are in high-dimensional vectorized formats. To mitigate this limitation, therefore, we borrow two notable ideas (i.e., "explanation by intervention" from causality and "explanation are contrastive" from philosophy) and propose a novel solution, named as GRACE, that better explains neural network models' predictions for tabular datasets. In particular, given a model's prediction as label X, GRACE intervenes and generates a minimally-modified contrastive sample to be classified as Y, with an intuitive textual explanation, answering the question of "Why X rather than Y?" We carry out comprehensive experiments using eleven public datasets of different scales and domains (e.g., # of features ranges from 5 to 216) and compare GRACE with competing baselines on different measures: fidelity, conciseness, info-gain, and influence. The user-studies show that our generated explanation is not only more intuitive and easy-to-understand but also facilitates end-users to make as much as 60% more accurate post-explanation decisions than that of Lime.
A new solid solution compound with the Sr21Mn4Sb18 structure type: Sr13Eu8Cd3Mn1Sb18 (2017)

Abstract The title compound with the nominal formula, Sr 13 Eu 8 Cd 3 Mn 1 Sb 18 , was synthesized by Sn-flux. Structure refinement was based on single-crystal X-ray diffractometer data. Employing the exact composition, the formula is Sr 13.23 Eu 7.77 Cd 3.12 Mn 0.88 Sb 18 for the solid solution Sr 21-x Eu x Cd 4-y Mn y Sb 18 . This phase adopts the Sr 21 Mn 4 Sb 18 type structure with site preferences for both Eu and Cd. The structure crystallizes in the monoclinic system in space group C 2/ m and Z =4: a =18.1522(11), b =17.3096(10), c =17.7691(10) Å, β=91.9638(8)°, 6632 F 2 values, 216 variables, R1=0.0254 and wR2=0.0563. Site selectivity of the elements in this new compound will be discussed in relationship with the Sr 21 Mn 4 Sb 18 type structure and other related structure types. Temperature dependent magnetic susceptibility data reveal Curie–Weiss paramagnetism with an experimental moment of 19.3 μ B /f.u. and a Weiss constant of 0.4 K. Magnetic ordering is seen at low temperatures, with a transition temperature of 3.5 K.
Voltammetric sensor based on long alkyl chain tetraalkylammonium ionic liquids comprising ascorbate anion for determination of nitrite (2021)

An electrochemical sensor was fabricated utilizing ionic liquids possessing cations with long alkyl chains such as trimethyl octadecylammonium and behenyl trimethylammonium and ascorbate anion. The ionic liquids were drop-coated onto the electrode. Thin modifying layers were prepared. Cyclic voltammetric investigations revealed electrostatic interactions between the electrochemical probes and the modified surface, proving that a positive charge was established at the film surface. Hence, negatively charged species such as nitrite can be pre-concentrated on the surface of presented modified electrodes. The fabricated electrodes have been used as a voltammetric sensor for nitrite. Due to the electrostatic accumulation properties of long alkyl cation, the assay exhibits a remarkable improvement in the voltammetric response toward nitrite oxidation. The influence of pH on the electrode response was thoroughly investigated, and the mechanism of the electrode was established. The developed sensor showed a linear electrochemical response in the range 1.0-50 μM with a detection limit of 0.1 μM. The electrode revealed good storage stability, reproducibility, and anti-interference ability. The determination of nitrite performed in curing salts brought satisfactory results.
A critical look at nuclear qualified electrical cable insulation ignition and damage thresholds (1989)

The modeling of fire growth and fire-induced damage to electrical equipment in nuclear power plants requires knowledge of the ignition and damage thresholds for nuclear qualified electrical cable insulation. The present state of knowledge regarding these thresholds is based on a very limited amount of experimental data. In this paper it is shown that some of the industry-accepted ignition and damage thresholds have been extrapolated well beyond the experimental data resulting in incorrect and nonconservative lower limits of electrical cable ignition and damage. A more appropriate parameter for determining cable damage thresholds is suggested. 16 refs., 7 figs.
Efficient Synthesis of Propargylic Ethers under the DBU Conditions and Its Application to Natural Products Synthesis. (2007)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
jQuery Mobile (2011)

Native apps have distinct advantages, but the future belongs to mobile web apps that function on a broad range of smartphones and tablets. Get started with jQuery Mobile, the touch-optimized framework for creating apps that look and behave consistently across many devices. This concise book provides HTML5, CSS3, and JavaScript code examples, screen shots, and step-by-step guidance to help you build a complete working app with jQuery Mobile. If you're already familiar with the jQuery JavaScript library, you can use your existing skills to build cross-platform mobile web apps right now. This book shows you how. Get a high-level overview of jQuery Mobile: how it works and how to use it Learn about paging and navigation, including dialogs, Ajax content, and history Employ jQuery Mobiles extensive event system to create rich interactions Work with toolbars, buttons, lists, forms, and other UI elements Create a variety of visual designs with jQuery Mobiles sophisticated theming system Use the jQuery Mobile API for finer control over elements and interactions Put everything together and build a mobile app from start to finish
Calculation of production rates and thick-target yields for platinum isotopes prepared at the cyclotron (1995)

Consiglio Nazionale delle Ricerche (CNR). Biblioteca Centrale / CNR - Consiglio Nazionale delle Richerche
Polyimides cross‐linked with amino group‐containing compounds (2017)

The commercially available linear polyimide Matrimid ® 9725 was crosslinked with amino groups containing both high‐molecular‐weight and low‐molecular‐weight compounds. The multi‐functional amine‐terminated hyperbranched polyimide precursor (hyperbranched polyamic acid), based on 4,4′‐(hexafluoroisopropylidene)diphthalic anhydride and 4,4′,4″‐triaminotriphenylmethane, and its fully imidized form (amine‐terminated hyperbranched polyimide), bifunctional amine, 4,4′‐diaminodiphenylamine and trifunctional amine, 4,4′,4″‐triaminotriphenylamine, were used as the crosslinkers. Theoretically, 10% or 20% of the Matrimid imide groups was reacted with the amino groups of the crosslinking agent during the formation of the amide groups. The insoluble content (gel) in the final materials was very low at the crosslinking temperature of 80°C and was in the 55–90% range at the crosslinking temperature of 200°. The permeability coefficients of hydrogen, carbon dioxide and methane in the self‐standing, mechanically tough film (membrane) based on the combination of Matrimid and hyperbranched polyimide were approximately 30–45% higher compared with those in the membrane made of pure Matrimid at a comparable separating ability (selectivity). POLYM. ENG. SCI., 57:1367–1373, 2017. © 2017 Society of Plastics Engineers
A Leishmania amazonensis ZIP family iron transporter is essential for parasite replication within macrophage phagolysosomes (2006)

Infection of mammalian hosts with Leishmania amazonensis depends on the remarkable ability of these parasites to replicate within macrophage phagolysosomes.A critical adaptation for survival in this harsh environment is an effi cient mechanism for gaining access to iron.In this study, we identify and characterize LIT1, a novel L. amazonensis membrane protein with extensive similarity to IRT1, a ZIP family ferrous iron transporter from Arabidopsis thaliana.The ability of LIT1 to promote iron transport was demonstrated after expression in yeast and in L. amazonensis LIT1-null amastigotes.Endogenous LIT1 was only detectable in amastigotes replicating intracellularly, and its intracellular expression was accelerated under conditions predicted to result in iron deprivation.Although L. amazonensis lacking LIT1 grew normally in axenic culture and had no defects differentiating into infective forms, replication within macrophages was abolished.Consistent with an essential role for LIT1 in intracellular growth as amastigotes, ∆lit1 parasites were avirulent.After inoculation into highly susceptible mice, no lesions were detected, even after extensive periods of time.Despite the absence of pathology, viable ∆lit1 parasites were recovered from the original sites of inoculation, indicating that L. amazonensis can persist in vivo independently of the ability to grow in macrophages.Our fi ndings highlight the essential role played by intracellular iron acquisition in Leishmania virulence and identify this pathway as a promising target for therapeutic intervention.
Short term prediction of Ht value using BPNN during LCAP (2005)

At present the number of patients of ulcerative colitis(UC) has been increasing in Japan. A leukocytapheresis (LCAP) is one of the cure to the patients of UC. LCAP is a kind of blood purification treatments. It is said that the blood pressure is decreased during the blood purification. This takes place according to the change of the water balance in the body. The water balance is expressed as a hematcrit(Ht) value. Prediction of the Ht value during the LCAP is important to prevent patients from decrease in blood pressure. The purpose of this study is to develop a method to predict the Ht value during the LCAP. In this study, a moving-average type back propagation neural network(MANN) is used for analyzing the nonlinear signals. The MANN is one of the suitable methods to analyze biological signals. In this study, Ht values after one minute, three minutes, and five minutes are predicted using BPNN. At first, Ht values are predicted using the various structures of BPNN to obtain precise prediction.
Infrared multispectral imaging with silicon-based multiband pass filter and infrared focal plane array (2015)

This paper reports the implementation of a silicon-based infrared (IR) multiband pass filter (BPF) on an uncooled microbolometer IR focal plane array (IR-FPA), both of which are fabricated by the standard CMOS process. IR spectroscopy has been widely used as a sample identification technique, exploiting the fact that each molecule structure has a unique spectral feature. Using IR-BPF and IR-FPA, a low-cost and compact IR-spectral imaging system is realized. The microbolometer IR-FPA exhibits broad spectral response sufficient to cover the IR-region from the mid-infrared (3 μm) to far-infrared (8 μm~), which is broader than the coverage of conventional non-silicon-based photodetectors such as mercury cadmium telluride. Single-band images of invisible gases such as ethanol vapor and CO <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> in breath are obtained with the IR-FPA. For multiband imaging, a guided-mode resonance IR filter is fabricated by patterning aluminum (Al) layer of 100 nm thickness on a silicon-on-insulator wafer. Measured peak transmittance wavelengths (λ <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">c</sub> ) of square and hexagonal Al array are compared with results of rigorous coupled-wave analysis, as a function of the Al pattern period. The λ <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">c</sub> of 3.3, 3.9, and 4.4 μm are obtained at the pattern period of 1.8, 2.4, and 2.8 μm for the square array. In all cases, the λ <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">c</sub> slightly decreases for the hexagonal array. The full-width at half-maximum (FWHM) of each filter is approximately 200 nm for the λ <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">c</sub> of 4.4 μm, 400 nm for λ <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">c</sub> of 3.3 μm.
Multispectral observations of marine mammals (2008)

Multispectral visible and infrared observations of various species of whales were made in the St. Lawrence Seaway near Quebec, Canada and Papawai Point in Maui, Hawaii. The Multi-mission Adaptable Narrowband Imaging System (MANTIS) was deployed in two configurations: airborne looking down, and bluff mounted looking at low-grazing angles. An Infrared (IR) sensor was also deployed in the bluff mounted configuration. Detections of marine mammals were made with these systems of submerged mammals and surface mammals at ranges up to 8 miles. Automatic detection algorithms are being explored to detect, track and monitor the behavior of individuals and pods of whales. This effort is part of a United States Navy effort to insure that marine mammals are not injured during the testing of the US Navy's acoustic Anti-submarine Warfare (ASW) systems.
Manifold Learning in Quotient Spaces (2018)

When learning 3D shapes we are usually interested in their intrinsic geometry rather than in their orientation. To deal with the orientation variations the usual trick consists in augmenting the data to exhibit all possible variability, and thus let the model learn both the geometry as well as the rotations. In this paper we introduce a new auto-encoder model for encoding and synthesis of 3D shapes. To get rid of undesirable input variability our model learns a manifold in a quotient space of the input space. Typically, we propose to quotient the space of 3D models by the action of rotations. Thus, our quotient auto-encoder allows to directly learn in the space of interest, ignoring side information. This is reflected in better performances on reconstruction and interpolation tasks, as our experiments show that our model outperforms a vanilla auto-encoder on the well-known Shapenet dataset. Moreover, our model learns a rotation-invariant representation, leading to interesting results in shapes co-alignment. Finally, we extend our quotient auto-encoder to quotient by non-rigid transformations.