gebhart/patrepeval huggingface dataset:
Characterization of Free-Standing PEDOT:PSS/Iron Oxide Nanoparticle Composite Thin Films and Application As Conformable Humidity Sensors (2013)

In this study, a new simple, fast, and inexpensive technique for the preparation of free-standing nanocomposite ultrathin films based on the conductive polymer poly(3,4-ethylenedioxythiophene):polystyrene sulfonate (PEDOT:PSS) and embedding iron oxide nanoparticles (NPs) is presented. These nanofilms were fabricated by a single step of spin-coated assisted deposition in conjunction with a release technique ("supporting layer technique") to detach them from the substrate. Free-standing nanofilms can be easily transferred onto several substrates due to their high conformability, preserving their functionalities. The effect of the addition of iron oxide nanoparticles on the structural and functional properties of the PEDOT:PSS nanofilms is investigated through topography, thickness, magnetic, magneto-optical activity, and conductivity characterizations. PEDOT:PSS and PEDOT:PSS/iron oxide NP nanofilms were tested as resistive humidity sensors. Their sensitivity to humidity was found to increase with increasing nanoparticle concentration. On the basis of these results, it is expected that these composites may furnish inexpensive and reliable means for relative humidity detection.
Comparison of Reaction Energetics and Leaving Group Interactions during the Enzyme-Catalyzed and Uncatalyzed Displacement of Chloride from Haloalkanes (2003)

The SN2 displacement of chloride from haloalkanes methyl chloride and 1,2-dichloroethane by a series of carboxylate nucleophiles is characterized using ab initio calculations. Comparison of reactivities of methyl chloride and 1,2-dichloroethane in the gas phase and aqueous solution reveals that relative reactivities of these two haloalkanes depend on the reaction environment. 1,2-Dichloroethane is more reactive in the gas phase than methyl chloride, but the order of reactivities is reversed in water. The origin of this effect is analyzed. The activation free energy barrier for the reaction between acetate and 1,2-dichloroethane is 25 kcal/mol (104.6 kJ/mol) in the aqueous environment. A similar reaction is catalyzed by the enzyme haloalkane dehalogenase with activation barrier of 15.3 kcal/mol (64.0 kJ/mol). The origin of this 10 kcal/mol (41.8 kJ/mol) catalytic effect is investigated by calculating how activation free energies depend on the dielectric constant of medium. Comparison of results obtained for the water environment and for the model of the active site environment indicates that a large percentage of this rate acceleration can be explained by the general hydrophobic nature of the active site. The enzyme also uses specific interactions with the chloride atom to facilitate the departure of this leaving group. We find that a single active site tryptophan residue interacts significantly more strongly with the leaving group in the transition state than in the ground state.
Evaluation of Methods Used in Detecting Changes of Airway Resistance in Man <sup>1,</sup> <sup>2,</sup> <sup>3</sup> (1963)

"Evaluation of Methods Used in Detecting Changes of Airway Resistance in Man1,2,3." American Review of Respiratory Disease, 87(4), pp. 529–537
An inductive learning algorithm based on regression analysis (1997)

There are two types of learning. One is symbol learning such as inductive learning in artificial intelligence and the other is pattern learning such as multivariate analysis and neural networking. This paper presents an inductive learning algorithm which obtains propositions whose errors are at a minimum. The algorithm is based on regression analysis and works better than C4.5. The algorithm consists of preprocessing data, obtaining linear functions by multiple regression analysis, and approximating the functions with Boolean theory. Approximating linear functions with Boolean theory is a pseudo maximum likelihood method and regression is the least square method. They are the principles of pattern learning, and so an algorithm for symbolic learning can be obtained by these principles. © 1997 Scripta Technica, Inc. Syst Comp Jpn, 28(3): 62–70, 1997
Polypyrrole Nanotubes Conjugated with Human Olfactory Receptors: High‐Performance Transducers for FET‐Type Bioelectronic Noses (2009)

Abstract Reingeschnuppert : Polypyrrol‐Nanoröhren, die mit dem menschlichen olfaktorischen Rezeptor (hOR) konjugiert waren, wurden in Feldeffekttransistoren integriert, um leistungsfähige bioelektronische Nasen herzustellen (siehe Bild; S=Source, D=Drain). Das Gerät kann hOR‐Geruchsstoff‐Wechselwirkungen in ein messbares Signal übertragen und zeigte hochempfindliche und spezifische Reaktionen auf einen ausgewählten Geruchsstoff. magnified image
Comment on "Energy-time uncertainty relation for driven quantum systems" and "Quantum Speed Limit for Non-Markovian Dynamics" (2018)

Deffner and Lutz [J. Phys. A 46, 335302 (2013) and Phys. Rev. Lett. 111, 010402 (2013).] extended the Mandelstam-Tamm bound and the Margolus-Levitin bound to time-dependent and non-Markovian systems, respectively. Although the derivation of the Mandelstam-Tamm bound is correct, we point out that thier analysis of the Margolus-Levitin bound is incorrect. The Margolus-Levitin bound has not yet been established in time-dependent quantum systems, except for the adiabatic case.
Exploring intelligence of web communities (2014)

Web Intelligence is a multidisciplinary area dealing with utilizing data and services over the Web, to create new data and services using Information and Communication Technologies (ICT) and Intelligent techniques. The link to Networking and Web Communities (WCs) is apparent: the Web is a set of nodes, providing and consuming data and services; the permanent or temporary ties and exchanges in-between these nodes build the virtual communities; and the ICT and intelligent techniques influence the modeling and the processes, and it automates (or semi-automate) communication and cooperation. In this paper, we will explore one aspect of (Web) intelligence pertinent to the Web Communities. The "intelligent" features may emerge in a Web community from interactions and knowledge-transmissions between the community members. We will also introduce the WI&C'14 workshop's goal and structure.
Detecting and Identifying Wood Decay Fungi Using DNA Analysis (2003)

Amplification of genomic DNA by the polymerase chain reaction (PCR) is a sensitive and specific tool that can be used to detect degradative fungi in wood. PCR coupled with other molecular methods has been used to detect specific fungal products and to identify and survey fungi in the environment. Researchers have used PCR methods to detect and monitor specific fungal degradative genes, to detect and identify basidiomycetes in culture, and to sequence ribosomal DNA for taxonomic studies of selected wood decay fungi. In our work basidiomycete specific primers derived from fungal ribosomal DNA sequences were shown to detect the presence of fungal DNA in spruce wood, even at very early stages of decay. When used in conjunction with restriction fragment length polymorphism (RFLP) analysis, this procedure was able to provide reliable fungal species identification. The assay is currently being developed for use in wood of other species and in wood composite materials. The ultimate goal of this work is to develop a reliable and sensitive DNA-based assay to detect incipient decay in wood and identify the fungi involved.
Photoreactions of Simple Halonaphthalenes in Solution (1975)

The photolysis products and reaction quantum yields from a number of simple halonaphthalenes have been determined. Fluoronaphthalenes react from a singlet state to yield substitution products in nucleophilic solvents. Chloronaphthalenes and 1-bromonaphthalene afford mainly radical products (naphthalene and binaphthyls) through a triplet state, though some photonucleophilic substitution occurs with chloronaphthalene. Attempts at quenching lead to abnormal behavior, in that enhanced quantum yields for reaction are found with several potential triplet quenchers. Electron transfer processes are proposed to rationalize the observed products.
Mechanism of Ivermectin Facilitation of Human P2X4 Receptor Channels (2004)

Ivermectin (IVM), a widely used antiparasitic agent in human and veterinary medicine, was recently shown to augment macroscopic currents through rat P2X(4) receptor channels. In the present study, the effects of IVM on the human P2X(4) (hP2X(4)) receptor channel stably transfected in HEK293 cells were investigated by recording membrane currents using the patch clamp technique. In whole-cell recordings, IVM (< or =10 microM) applied from outside the cell (but not from inside) increased the maximum current activated by ATP, and slowed the rate of current deactivation. These two phenomena likely result from the binding of IVM to separate sites. A higher affinity site (EC(50) 0.25 microM) increased the maximal current activated by saturating concentrations of ATP without significantly changing the rate of current deactivation or the EC(50) and Hill slope of the ATP concentration-response relationship. A lower affinity site (EC(50) 2 microM) slowed the rate of current deactivation, and increased the apparent affinity for ATP. In cell-attached patch recordings, P2X(4) receptor channels exhibited complex kinetics, with multiple components in both the open and shut distributions. IVM (0.3 microM) increased the number of openings per burst, without significantly changing the mean open or mean shut time within a burst. At higher concentrations (1.5 microM) of IVM, two additional open time components of long duration were observed that gave rise to long-lasting bursts of channel activity. Together, the results suggest that the binding of IVM to the higher affinity site increases current amplitude by reducing channel desensitization, whereas the binding of IVM to the lower affinity site slows the deactivation of the current predominantly by stabilizing the open conformation of the channel.
Hand-Assisted Laparoscopic Renal Surgery: Hand-Port Incision Complications (2004)

Background and Purpose: Hand-assisted laparoscopic (HAL) renal surgery is an accepted standard of practice. We report our complications at the hand port-site incision in various HAL urologic procedures. Patients and Methods: Data and follow-up were complete for 54 patients who underwent HAL nephrectomy. HAL partial nephrectomy, or HAL nephroureterectomy at our institution from October 2001 to April 2003. A retrospective review of the patients' charts was performed to identify the incidence of postoperative hand port-site complications. The mean patient age was 59 years, and the mean follow-up was 5.4 months. Results: Five complications were observed in four patients (9.3%). One patient had a superficial wound infection (1.9%) and an incisional hernia (1.9%) that was surgically repaired. One patient had a superficial incisional breakdown that healed well after conservative measures. One obese patient with severe chronic obstructive pulmonary disease eviscerated through his hand-port incision after a coughing spell. This was repaired operatively, and the patient healed well with the aid of an abdominal binder. One patient developed an enterocutaneous fistula at her hand-port site that healed well after both operative and conservative management. Conclusions: The technique of HAL renal surgery is safe and effective. Complications associated with the hand-port incision exist, and as they become better defined, the surgeon may take extra steps toward their recognition and prevention.
Synthesis of Highly Soluble and Oxidatively Stable Tetraceno[2,3-<i>b</i>]thiophenes and Pentacenes (2007)

A comparative study of suitably functionalized, highly soluble tetraceno[2,3-b]thiophenes (1-3) and pentacenes (4-6) that show higher photoxidative stability than that of unfunctionalized corresponding acenes is reported. The absorption and emission of 1-3 (Amax = 624-656 nm, lambda max = 634-672 nm, PhiF approximately 10%) and 4-6 (Amax = 672-704 nm, lambda max = 682-718 nm, PhiF approximately 10%) were found to be systematically red-shifted by the substitution in the order of the tert-butylethynyl < triisopropylsilylethynyl < phenylethynyl groups. The oxidation potentials of these compounds were similar (E1/2 approximately 0.70 V), except for 4, which showed lower oxidation potential (E1/2 approximately 0.63 V).
A Convenient Synthesis of Difluoromethyl-Substituted Pyridines (1997)

The treatment of α-alkoxycarbonyl-α,β-unsaturated trifluoromethyl ketones 1 with β-aminocrotonates 2 affords 2-methyl-6-trifluoromethyl-1,4-dihydropyridines 3, which undergo dehydrofluorination using DBU/piperazine, giving moderate to high yields of 2-difluoromethyl-6-methylpyridines 4.
Elementary excitations of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">C</mml:mi></mml:mrow><mml:mrow><mml:mn>60</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>from the far infrared to the far vacuum ultraviolet studied by high-resolution electron-energy-loss spectroscopy (1992)

We report on measurements by high-resolution electron-energy-loss spectroscopy (HREELS) of the excitation spectrum of thin films of ${\mathrm{C}}_{60}$ (containing less than 10% of ${\mathrm{C}}_{70}$) deposited onto Si(100) in ultrahigh vacuum. Most of our spectra have been taken in the specular direction of the reflected beam. By varying the primary-electron energy from 2 to 150 eV, the frequency regions extending from the far ir, through the visible-uv, to the far vuv have been investigated on one single specimen in the same spectrometer with a resolution varying from 10 meV in the ir to 60 meV in the vuv. Since no strict selection rules apply to electron inelastic scattering, the present data contain information on many of the elementary excitations of the ${\mathrm{C}}_{60}$ fullerite film. Several of the spectral features are comparable to the observations of photon, photoelectron, and neutron spectroscopies which address separate parts of the spectrum. Important additional features are revealed by HREELS, including a transition at 1.55 eV which appears to be the lowest one-electron excitation observed in ${\mathrm{C}}_{60}$ and two collective excitations at 6.3 eV (\ensuremath{\pi} plasmons) and 28 eV (\ensuremath{\sigma} plasmons). When possible, the band intensities are discussed with the help of the dielectric theory of EELS. The present data further advance our knowledge of the rich spectrum of elementary vibrational and electronic excitations of the ${\mathrm{C}}_{60}$ fullerite.
On the Internal Friction of Powdered Materials (1966)

It is important, in order to understand the mechanical behavior of powdered materials in the operation of mixing, kneading, transporting and forming procedures, that we should be acquainted, among others, with the properties of their internal friction. For the measurement of internal friction of powdered materials, direct shear tests of various sorts have hitherto been performed.This work was undertaken to determine the relationships between the vertical load σ and the shear stress τ of the consolidated powder beds by a direct shear test.The powders were consolidated into cylindrical forms each of 2cm in diameter and 3cm in length by pressure up to 191kg/cmcm2 for lactose and magnesia clinker powders and 955kg/cmcm2 for aluminapowders.These powder beds were measured, the shear stresses τ against the various vertical loads σ, by direct shear test a pparatus which was equipped with a vertical loading system (hydraulic press), a shear cell, a shear force measuring device (loop gauge) and a shearing force device.It was found that the σ-τ relationships can be represented by the formulawhere k, σ0 and n are constants. Discussion is made on the influence of the degree of consolidation, water content and particle size, on these constants, with necessary descriptions.
Improving the intrinsic cut-off frequency of gate-all-around quantum-wire transistors without channel length scaling (2013)

Progress in high-frequency transistors is based on reducing electron transit time, either by scaling their lengths or by introducing materials with higher electron mobility. For gate-all-around quantum-wire transistors with lateral dimensions similar or smaller than their length, a careful analysis of the displacement current reveals that a time shorter than the transit time controls their high-frequency performance. Monte Carlo simulations of such transistors with a self-consistent solution of the 3D Poisson equation clearly show an improvement of the intrinsic cut-off frequency when their lateral areas are reduced, without length scaling.
Photoelectrochemical decomposition of water on nanocrystalline BiVO4 film electrodes under visible light (2003)

The nanocrystalline BiVO4 film electrode on conducting glass showed an excellent efficiency (IPCE = 29% at 420 nm) for the decomposition of water under visible light.
Application of Designed Enzymes in Organic Synthesis (2011)

ADVERTISEMENT RETURN TO ISSUEPREVReviewNEXTApplication of Designed Enzymes in Organic SynthesisGernot A. Strohmeier†, Harald Pichler†‡, Oliver May§, and Mandana Gruber-Khadjawi*†View Author Information† Austrian Centre of Industrial Biotechnology, Petersgasse 14, A-8010 Graz, Austria‡ Institute of Molecular Biotechnology, Graz University of Technology, Petersgasse 14, A-8010 Graz, Austria§ DSM—Innovative Synthesis BV, Geleen, P.O. Box 18, 6160 MD Geleen, The NetherlandsPhone: +43-316-873 32410. Fax: +43-316-873 1032410. E-mail: [email protected]Cite this: Chem. Rev. 2011, 111, 7, 4141–4164Publication Date (Web):May 10, 2011Publication History Received13 November 2010Published online10 May 2011Published inissue 13 July 2011https://pubs.acs.org/doi/10.1021/cr100386uhttps://doi.org/10.1021/cr100386ureview-articleACS PublicationsCopyright © 2011 American Chemical SocietyRequest reuse permissionsArticle Views9134Altmetric-Citations142LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose SUBJECTS:Genetics,Monomers,Peptides and proteins,Protein engineering,Stereoselectivity Get e-Alerts
Solid-State <sup>1</sup>H and <sup>27</sup>Al NMR Studies of DMSO-Kaolinite Intercalates (2017)

Abstract Nuclear magnetic resonance (NMR) provides a powerful tool to describe local nuclear environments. In this work, unique structural information on kaolinite and on kaolinite dimethylsulfoxide (DMSO) intercalate were provided by solid-state 1 H and 27 Al magic-angle spinning (MAS) NMR. The interlayer chemistry of kaolinite (K) was examined by intercalating a select group of highly polar organic molecules or salts into kaolinite as a first step. Once the interlayer space is expanded, the intercalated compounds can be replaced in a second step. Intercalating DMSO into kaolinite to form the DMSO-K intercalate is, thus, a particularly useful first step toward the intercalation of a large variety of molecules, including polymers and ionic liquids. Well developed characterization methods are essential to define the structural modifications of kaolinite, and MAS NMR is a useful complement to other techniques. The use of 1 H and 27 Al MAS NMR for this purpose has been relatively rare. 1 H NMR, nevertheless, can give unique information about kaolinite hydroxyls. Because quadrupolar interactions are sensitive to the local octahedral Al(III) geometry, solid-state 27 Al NMR can follow subtle structural modifications in the octahedral sheet. In the present work, the 1 H MAS NMR chemical shifts of KGa-1b were unambiguously attributed to the internal surface hydroxyls at 2.7 ppm and to the internal hydroxyls at 1.7 ppm. The 1 H MAS NMR chemical shifts of the two methyl groups in DMSO-K are not equivalent and can be attributed to the 2.9 and 4.2 ppm peaks. The 27 Al MAS NMR spectra of KGa-1b obtained under different magnetic fields revealed that most of the quadrupolar effects were highly reduced at 21.1 T, whereas the spectra at lower field, 4.7 T, were dominated by quadrupolar effects. The two octahedral Al(III) sites are not equivalent and can be distinguished in the low-field spectral simulation. Increased quadrupolar constants were observed and showed the major perturbations of the local Al symmetry that resulted from DMSO intercalation. Both the 1 H and 27 Al MAS NMR studies at different magnetic fields afforded important information about the local environments of the kaolinite hydroxyl groups and structural Al(III).
Updated Outcomes and Impact of Age With Lenalidomide and Low-Dose Dexamethasone or Melphalan, Prednisone, and Thalidomide in the Randomized, Phase III FIRST Trial (2016)

Purpose This analysis of the FIRST trial in patients with newly diagnosed multiple myeloma (MM) ineligible for stem-cell transplantation examined updated outcomes and impact of patient age. Patients and Methods Patients with untreated symptomatic MM were randomly assigned at a one-to-one-to-one ratio to lenalidomide plus low-dose dexamethasone until disease progression (Rd continuous), Rd for 72 weeks (18 cycles; Rd18), or melphalan, prednisone, and thalidomide (MPT; 72 weeks), stratified by age (≤ 75 v > 75 years), disease stage (International Staging System stage I/II v III), and country. The primary end point was progression-free survival. Rd continuous and MPT were primary comparators. Results Between August 21, 2008, and March 7, 2011, 1,623 patients were enrolled (Rd continuous, n = 535; Rd18, n = 541; MPT, n = 547), including 567 (35%) age older than 75 years. Higher rates of advanced-stage disease and renal impairment were observed in patients older than 75 versus 75 years of age or younger. Rd continuous reduced the risk of progression or death compared with MPT by 31% (hazard ratio [HR], 0.69; 95% CI, 0.59 to 0.80; P < .001) overall, 36% (HR, 0.64; 95% CI, 0.53 to 0.77; P < .001) in patients age 75 years or younger, and 20% (HR, 0.80; 95% CI, 0.62 to 1.03; P = .084) in those age older than 75 years. Median overall survival was longer with Rd continuous than with MPT, including a 14-month difference in patients age older than 75 years. Progression-free survival with Rd18 was similar to that with MPT, and overall survival with Rd18 was marginally inferior to that with Rd continuous. Rates of grade 3 to 4 treatment-emergent adverse events were similar for Rd continuous-treated patients age 75 years or older and those age older than 75 years; however, older patients had more frequent lenalidomide dose reductions. Conclusion Results support Rd continuous treatment as a new standard of care for stem-cell transplantation-ineligible patients with newly diagnosed MM of all ages.