gebhart/patrepeval huggingface dataset:
Complexation of Phenol and Thiophenol by Amine N‐Oxides: Isothermal Titration Calorimetry and ab Initio Calculations (2010)

To develop a new solvent-impregnated resin (SIR) system for removal of phenols from water, the complex formation of dimethyldodecylamine N-oxide (DMDAO), trioctylamine N-oxide (TOAO), and tris(2-ethylhexyl)amine N-oxide (TEHAO) with phenol (PhOH) and thiophenol (PhSH) is studied. To this end we use isothermal titration calorimetry (ITC) and quantum chemical modeling (on B3LYP/6-311G(d,p)-optimized geometries: B3LYP/6-311+G(d,p), B3LYP/6-311++G(2d,2p), MP2/6-311+G(d,p), and spin component scaled (SCS) MP2/6-311+G(d,p); M06-2X/6-311+G(d,p)//M06-2X/6-311G(d,p), MP2 with an extrapolation to the complete basis set limit (MP2/CBS), as well as CBS-Q). The complexes are analyzed in terms of structural (e.g., bond lengths) and electronic elements (e.g., charges). Furthermore, complexation and solvent effects (in benzene, toluene, and mesitylene) are investigated by ITC measurements, yielding binding constants K, enthalpies ΔH(0), Gibbs fre energies ΔG(0), and entropies ΔS(0) of complex formation, and stoichiometry N. The ITC measurements revealed strong 1:1 complex formation between both DMDAO-PhOH and TOAO-PhOH. The binding constant (K=1.7-5.7×10(4) M(-1)) drops markedly when water-saturated toluene was used (K=5.8×10(3) M(-1)), and π-π interaction with the solvent is shown to be relevant. Quantum mechanical modeling confirms formation of stable 1:1 complexes with linear hydrogen bonds that weaken on attachment of electron-withdrawing groups to the amine N-oxide moiety. Modeling also showed that complexes with PhSH are much weaker than those with PhOH, and in fact too weak for ITC determination. CBS-Q incorrectly predicts equal or even higher binding enthalpies for PhSH than for PhOH, which invalidates it as a benchmark for other calculations. Data from the straightforward SCS-MP2 method without counterpoise correction show very good agreement with the MP2/CBS values.
Enzyme electrochemical sensor electrode and method of making it (2023)

An electrochemical sensor electrode is formed from an electronic conductor coated with a casting solution containing a perfluorosulfonic acid ionomer and a selected enzyme. The selected enzyme catalyzes a reaction between a predetermined substance in a solution and oxygen to form an electrochemically active compound that is detected at the electronic conductor. The resulting perfluorosulfonic acid polymer provides a stable matrix for the enzyme for long lived enzyme activity, wherein only thin coatings are required on the metal conductor. The polymer also advantageously repels interfering substances from contacting the enzyme and contains quantities of oxygen to maintain a sensing capability during conditions of oxygen depletion in the sample. In one particular embodiment, glucose oxidase is mixed with the perfluorosulfonic acid ionomer to form an electrode for glucose detection.
Characterization and Modeling of Segmental Dynamics in Silicone Based Nanocomposites (2009)

This research compared the written compositions of 16 adults with high-functioning autism spectrum disorders and 16 neurotypical control participants, and examined the influence of theory of mind on their writing. Participants ranging in age from 17 years to 42 years, matched on Vocabulary subtest scores from the Wechsler Adult Intelligence Scale (1997), completed the Social Attribution Task and wrote an expository and a narrative text. Texts were assessed on 18 variables representing quality, mechanics, and length. It was found that adults with HFASD wrote lower quality narrative and expository texts, and narratives of shorter length. Theory of mind was positively associated with writing quality and text length across both genres.
Photon-Induced Far-Field and Near-Field Electron Microscopy (2018)

We present developments in the technique of photo-induced near-field electron microscopy. (PINEM) We image the electron interaction with a far-field plane wave reflected from a mirror, and with the near-field resonance of a plasmonic nanowire.
The Nuclear Matrix and the Organization of Nuclear DNA (2018)

This chapter demonstrates intriguing associations between transcribing or replicating DNA and the nuclear matrix. These associations appear to be generalized features in eukaryotes, since they have been found in diverse species. The chapter suggests that these results are strongly supportive of a role for nuclear structural elements in the control of certain aspects of DNA replication and transcription. Three hierarchical levels of nuclear DNA organization have so far been discovered. The first two, those of nucleosomes and supernucleosomal clusters are maintained largely by histones. The third level of organization, topologically constrained domains of DNA (loops), is maintained by nonhistone proteins, and therefore is a suitable subject for this volume. At low concentrations of ethidium bromide, there is a small halo formed by the negatively supercoiled DNA loops. The superhelical density of DNA varies with ionic strength. Autoradiographic experiments revealed a surprising pattern of nascent DNA with respect to DNA loops.
Self-Cleaning Organic Vapor Sensor Based on a Nanoporous TiO2 Interferometer (2012)

Porous thin films of TiO(2) are prepared and their use as chemical sensors for organic vapor analytes is investigated. Thin-film optical interference (Fabry-Perot) fringes in the reflectance spectrum are monitored using Reflectometric Interference Fourier Transform Spectroscopy (RIFTS). Three analytes are employed to probe the sensitivity of the porous TiO(2)-based sensors as a function of analyte vapor pressure: dodecane, isopropyl alcohol (IPA), and pentane. Measured lower limits of detection (3, 30, and 11, 000 ppmv for dodecane, IPA, and pentane, respectively) track the saturation vapor pressures (P(sat)) of the analytes (0.134, 45, and 513 Torr at 25°C for dodecane, IPA, and pentane, respectively); the analyte with the lowest value of P(sat) shows the lowest LLOD. Recovery of the sensor after a saturation dose of analyte is also dependent on P(sat): the sensor displays good recovery from pentane and IPA, and sluggish and incomplete recovery from dodecane. However, irradiation of the porous TiO(2) sensor with UV light in the presence of air accelerates recovery, and this process is attributed to photo-catalyzed oxidation of the analyte at the TiO(2) surface.
Clock and Trianer Jitter: Effects on Ultrasonic Spectroscopv (1988)

Sampling in digitizers produces errors in ultra- sonic measurements made with broadband, pulsed spec- troscopy, even when waveform averaging is used to improve the signal-to-noise ratio. We distinguish two types of jit- ter. jitter causes the averaged waveform to be a sum of uniformly sampled, but randomly shifted wave- forms. jitter introduces random shifts into each individual sample. We make analytical predictions of the biases and standard deviations due to both types of jit- ter on power and phase spectra, and compare these with numerical simulations and experimentally measured stan- dard deviations from three commercial digitizers. Trigger degrades power spectra less than clock jitter. Clock degrades phase spectra near the edges of the pass- band more than trigger jitter, and towards the center less. Synchronous transient digitization yields lower standard deviations than free-running digitizers. One early model of digitizer gives very poor results.
Preparation of lithium ferrites by coprecipitation (1970)

A new process for preparing coprecipitated lithium-containing ferrites is presented. Chemical coprecipitation results in a fine particle powder which, if properly sintered, yields fast switching memory cores. Ferrites containing Fe, Mn, Ni, Zn, etc., are readily coprecipitated because of the insolubility of their hydroxides and oxalates. Lithium, because of its solubility, cannot be precipitated as a hydroxide or oxalate in an aqueous solution, but it was found that it can be coprecipitated in the form of a stearate from an ammonium or tetramethylammonium hydroxide-stearic acid solution. The other elements are coprecipitated from the solution as hydroxides. The stearate is burned from the dried precipitate powder, leaving a ferrite with a specific surface area of 40 m <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sup> /g. The switching speed of cores fabricated from coprecipitated lithium manganese ferrite is improved compared to cores prepared by the mixed oxide process but only at the expense of a higher drive.
Langzeitergebnisse nach Radikalhöhlenverkleinerung mit Knochenmehl und Knorpelabdeckung (2007)

Obliteration of a canal wall down mastoid cavity by autologous bone pate and conchal cartilage is a reliable and effective technique that results in a dry, trouble free mastoid cavity in 90 % of the patients with chronic otitis media.
ChemInform Abstract: Regio‐ and Enantioselective Esterifications of Polyoxygenated Compounds Catalyzed by Lipases. (1993)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Second‐look endoscopy‐guided therapy under sedation prevents early rebleeding after variceal ligation for acute variceal bleeding (2020)

SLE-guided therapy reduces post-EVL early rebleeding and mortality rates in cirrhotic patients with large EV receiving EVL for AVB.
Tunable optical single-sideband generation for OOK and PAM4 data channels using an optical frequency comb and nonlinear wave-mixing (2020)

We experimentally demonstrate tunable optical single-sideband (SSB) generation using a tapped-delay-line (TDL) optical filter for 10 and 20 Gbit/s on/off-keying (OOK) signals and a 20 Gbit/s four-level pulse-amplitude-modulated (PAM4) signal. The optical SSB filter is realized by using an optical frequency comb, wavelength-dependent delay, and nonlinear wave-mixing to achieve the TDL function. Moreover, SSB tunability is achieved by adjusting the amplitude, phase, frequency spacing, and number of selected optical frequency comb lines. We show that the one-sideband suppression of a double-sideband (DSB) channel can be enhanced as the number of taps is increased; however, we do measure a ∼1.5<i>%</i> error-vector-magnitude penalty. Furthermore, we demonstrate that the chromatic-dispersion-induced penalty after 80 km standard-single-mode-fiber transmission of a 10 Gbit/s SSB OOK signal without chromatic dispersion compensation has been reduced by >3<i>d</i><i>B</i> when compared to DSB.
Alaska Native Patient and Provider Perspectives on the Multitarget Stool DNA Test Compared With Colonoscopy for Colorectal Cancer Screening (2019)

<b>Objective:</b> Alaska Native (AN) people have among the world's highest rate of colorectal cancer (CRC). We assessed perceptions of AN people and their health care providers of a new take-home multitarget stool DNA test (MT-sDNA; Cologuard) relative to colonoscopy. <b>Methods:</b> Cross-sectional surveys of AN people aged 40 to 75 years (mailed) and providers (online). <b>Results:</b> Participants included 1616 AN patients (19% response rate) and 87 providers (26% response rate; 57% AN people). Over half (58%) of patients preferred colonoscopy for CRC screening, while 36% preferred MT-sDNA. Unscreened patients were significantly more likely to state a preference for MT-sDNA than previously screened patients (42% vs 31%, <i>P</i> < .05) as were younger patients (<60 years old) compared with older patients (40% vs 30%, <i>P</i> < .05). Most providers thought that MT-sDNA would improve screening rates (69%), would recommend if available (79%), and be implementable (79%). Perceived barriers differed substantially between patients and providers in both type and magnitude. Leading colonoscopy barriers reported by patients were travel (44%) and bowel preparation (40%), while providers thought that fear of pain (92%) and invasiveness of the test (87%) were the primary barriers. For MT-sDNA, patients' belief that colonoscopy was better (56%) and not knowing how to do the test (40%) were primary barriers, while providers thought stool collection (67%) and having a stool sample in their home (63%) were leading barriers. <b>Conclusions:</b> This study found that MT-sDNA has potential acceptability among AN people and their health care providers. Both groups reported a willingness to use MT-sDNA and did not perceive major barriers to its use. This preference was especially true of unscreened and younger patients. The majority of providers indicated they would use MT-sDNA if available and that it would improve CRC screening rates. In this population, where colonoscopy access is limited, MT-sDNA has the potential to improve CRC screening adherence.
Introduction (2011)

Introduction David Russell, Karin Westman, and Naomi Wood This issue of The Lion and the Unicorn takes us into the archives of children's literature. In his essay "The Child, the Scholar, and the Children's Literature Archive," Kenneth Kidd proposes that, for the field of children's literature, the archive "operates not unlike the ideas of the classic and the canon, which, for all their problematic aspects, have helped shore up children's literature as a creative and critical field." Kidd draws upon a range of sources—the material history of selected archives, the theories of Walter Benjamin and Jacques Derrida, his own experiences at various collections, including the Baldwin Library of Historical Children's Literature at the University of Florida—to map the nexus of personal, professional, and cultural energies that create the children's literature archive in the present day. The archival impulse—to reveal that which has been hidden from view, to find new knowledge within the past—informs the other three essays in this issue. In "Probing Pioneer Girl Sleuths: Puck Larsson and Nancy Drew in 1950s Girls' Book Series in Sweden," Tilda Forselius recovers a moment in 1950s Sweden when two girl detectives were introduced to young female readers: Puck Larsson and Nancy Drew. A comparison of their narrative, style, and characterization helps to identify what makes Nancy Drew such a long-lasting popular cultural phenomenon; it also considers the value of the less popular but still thoughtful depiction in Puck Larsson of a young Swedish girl's realistic struggles with class and gender inequality. Sarah Cantrell provides international context for another popular series in her essay "Harry Potter Goes to France: Exploring Erik L'Homme's Le Livre des Étoiles (Book of the Stars)." An avowed fan of Rowling's Harry Potter, L'Homme crafts his own fantasy series (2001-3) and, in turn, offers a mirror not only to contemporary French culture but also to Rowling's fantasy landscape. Of particular note, in Cantrell's reading, is the representation of "the Other" in both series—an issue for the fantasy [End Page v] genre in general and for the respective national literary traditions of Rowling and L'Homme. Finally, to shine new light on three authors of the past, Ruth Y. Jenkins's essay "Imagining the Abject in Kingsley, MacDonald, and Carroll" uses Julia Kristeva's theory of abjection to examine its presence and function in the work of these three Victorian fantasists. Arguing that the three writers demonstrate the structuring function of abjection in adolescence and, by extension, society, Jenkins considers the way the abject constitutes identity even as it is symbolically expelled. Each fantasy writer offers a distinctive view of the degree to which abjection may support or undermine personal identity and social stability. As always, we welcome your comments and suggestions for the journal. Please contact us at <lionunicorn@ksu.edu>. [End Page vi] Copyright © 2011 The Johns Hopkins University Press
Exome sequencing identifies rare LDLR and APOA5 alleles conferring risk for myocardial infarction (2015)

Myocardial infarction (MI), a leading cause of death around the world, displays a complex pattern of inheritance. When MI occurs early in life, the role of inheritance is substantially greater. Previously, rare mutations in low-density lipoprotein (LDL) genes have been shown to contribute to MI risk in individual families whereas common variants at more than 45 loci have been associated with MI risk in the population. Here, we evaluate the contribution of rare mutations to MI risk in the population. We sequenced the protein-coding regions of 9,793 genomes from patients with MI at an early age (≤50 years in males and ≤60 years in females) along with MI-free controls. We identified two genes where rare coding-sequence mutations were more frequent in cases versus controls at exome-wide significance. At low-density lipoprotein receptor (LDLR), carriers of rare, damaging mutations (3.1% of cases versus 1.3% of controls) were at 2.4-fold increased risk for MI; carriers of null alleles at LDLR were at even higher risk (13-fold difference). This sequence-based estimate of the proportion of early MI cases due to LDLR mutations is remarkably similar to an estimate made more than 40 years ago using total cholesterol. At apolipoprotein A-V (APOA5), carriers of rare nonsynonymous mutations (1.4% of cases versus 0.6% of controls) were at 2.2-fold increased risk for MI. When compared with non-carriers, LDLR mutation carriers had higher plasma LDL cholesterol whereas APOA5 mutation carriers had higher plasma triglycerides. Recent evidence has connected MI risk with coding sequence mutations at two genes functionally related to APOA5, namely lipoprotein lipase and apolipoprotein C3. When combined, these observations suggest that, beyond LDL cholesterol, disordered metabolism of triglyceride-rich lipoproteins contributes to MI risk.
The Church in Ireland Since the Second Vatican Council (1978)

Connolly Peter. The Church in Ireland Since the Second Vatican Council . In: Études irlandaises, n°3, 1978. pp. 87-100.
Information Aggregation in Double Auctions: Rational Expectations and the Winner's Curse (2002)

This paper inquires about the ability of double auction institutions to aggregate information in the context of a "common value" information structure that is known to produce the winner's curse in sealed bid environments. While many fundamental features of the economic environment are different from those studied in the context of sealed bids, the pattern of information distributed to the population of traders is the same. This gives us an opportunity to determine if the behaviors reported in sealed bid environments can be detected in the more active market environment. As such the experiments are also a test of the robustness of earlier experiments that demonstrate that in economies with homogeneous preferences similarities single compound securities organized by double auctions are able to aggregate information. The basic result is that a severe winner's curse is not observed. The irrationality observed in sealed bids does not extend itself to the double auction environment. Information aggregation is observed and the rational expectations model receives support.
Quality of test specification by application of patterns (2008)

Embedded system and software testing requires sophisticated methods, which are nowadays frequently supported by application of test patterns. This eases the test development process and contributes to the reusability and maintainability of the test specification. However, it does not guarantee the proper level of quality and test coverage in different dimensions of the test specification.
Structure and Function of Two Prostaglandin (PG) Synthases for Drug Design (2007)

The structural based drug-design (SBDD) is one of the useful methods for producing a novel medicine. We recently succeeded in X-ray crystallographic determination of two target molecules. One is human hematopoietic prostaglandin (PG) D synthase (H-PGDS) that produces PGD2 as an allergic mediator in mast cells and Th2 cells. The other is Trypanosoma brucei PGF2α synthase (TbPGFS), a member of the aldo-ketoreductase superfamily, catalyzes the NADPH-dependent reduction of PGH2 to PGF2α, whose overproduction during trypanosomiasis causes miscarriage in infected female subjects. In this report, we introduce the recent progress in the research of the high resolution structures of human H-PGDS and TbPGFS useful for SBDD.
Highly active position eight analogs of somatostatin and separation of peptide diastereomers by partition chromatography (1978)

Six stereochemically pure analogues of somatostatin (SS), D- and L-5F-Trp8-SS, D- and L -6F-Trp8-SS, and D- and L-5Br-Trp8-SS, were synthesized and found to be more potent than somatostatin in suppressing the release of growth hormone from cultured rat pituitary cells. Two of the analogues, D-5F-Trp8- and D-5Br-Trp8-SS, were respectively 25 and 30 times more active than somatostatin in that assay. The analogues were prepared by solid phase synthesis of their corresponding diastereomeric mixtures, followed by their complete resolution by preparative partition chromatography. Reversed phase high pressure liquid chromatography (HPLC) was used to monitor the resolution and also to check the final purity of each peptide. Positive identification of each diastereoisomer was determined by amino acid analyses of their enzymatic digests, direct comparison with a known all-L standard in the case of the 5F-Trp8 analogues, and chromatographic separation of dansylated amino acids following enzymatic digestion of D- and L-5Br-Trp8-SS. The role of tryptophan in somatostatin is discussed and it is suggested that maintenance of physiological activity in somatostatin peptides, at least on the pituitary, is partially dependent upon the degree of resonance in the indole nucleus in position 8.
Structure and Function Analysis of an Antibody Recognizing All Influenza A Subtypes (2016)

Influenza virus remains a threat because of its ability to evade vaccine-induced immune responses due to antigenic drift. Here, we describe the isolation, evolution, and structure of a broad-spectrum human monoclonal antibody (mAb), MEDI8852, effectively reacting with all influenza A hemagglutinin (HA) subtypes. MEDI8852 uses the heavy-chain VH6-1 gene and has higher potency and breadth when compared to other anti-stem antibodies. MEDI8852 is effective in mice and ferrets with a therapeutic window superior to that of oseltamivir. Crystallographic analysis of Fab alone or in complex with H5 or H7 HA proteins reveals that MEDI8852 binds through a coordinated movement of CDRs to a highly conserved epitope encompassing a hydrophobic groove in the fusion domain and a large portion of the fusion peptide, distinguishing it from other structurally characterized cross-reactive antibodies. The unprecedented breadth and potency of neutralization by MEDI8852 support its development as immunotherapy for influenza virus-infected humans.