gebhart/patrepeval huggingface dataset:
Synthesis and Structure of P-Halogenated Benzazaphospholes and Their Reactivity toward Pt(0) Sources (2023)

Dearomatization of the five-membered ring of N-Dipp (Dipp = 2,6-diisopropylphenyl)-substituted benzazaphosphole 2 with HCl generated 1–Cl, which undergoes substitution with halide sources to provide the remaining members of the P-halogenated series (1–F, 1–Br, and 1–I). These P-heterocycles (1) were characterized by multinuclear [31P{1H}, 1H, 13C{1H}, and 19F (if applicable)] NMR spectroscopy, elemental analysis, and X-ray crystallography. 1H and 13C{1H} NMR spectroscopy revealed that derivatives 1–F, 1–Cl, and 1–Br have C1 symmetry in solution. In contrast, 1–I has effective Cs symmetry in solution due to a rapid, concentration-dependent, inversion at phosphorus, shown by density functional theory (DFT) calculations (B3LYP-D3/6-311G**++) to involve a dimeric iodine-bridged transition structure. In the solid state, 1–F through 1–I all exhibited C1 symmetry with varying degrees of elongation of their P–X bonds. Elongation of the P–X bonds is shown by DFT/natural bond orbital studies to involve NLP → σ*(P–X) negative hyperconjugation, which increases down the halogen series but is less pronounced than that for the closely related NHP–X counterparts (3–F through 3–I). Treatment of 1–Br/I with [Pt(P(t-Bu)3)2] afforded Pt(I)–Pt(I) dimers 4–Br/I, which were characterized by 31P{1H}, 1H, and 13C{1H} NMR spectroscopy, elemental analysis, and X-ray crystallography. Addition of 1–F to Pt(PPh3)4 gave Pt(1–F)(PPh3)2 (6), a coordination compound in which the P-heterocyclic ligand is bound through its lone pair without P–F bond cleavage. Recrystallization attempts resulted in ligand exchange, furnishing Pt(0) complex 7, which features 1–F and PPh3 donors in a 2:1 ratio. Reactions of 1–Cl with all tested starting materials produced unidentifiable product mixtures by 31P{1H} NMR spectroscopy, but the combination of Pt(PPh3)4 or Pt(PPh3)2(C2H4) and 1–Cl in acetone generated an unisolable Pt complex containing tentatively assigned PtP2 metallacyclopropane structural unit 8.
Epidemiology of Travelers' Diarrhea and Relative Importance of Various Pathogens (1990)

Each year 12 million persons travel from an industrialized country to a developing country in the tropics or subtropics. These travelers experience a high rate of diarrhea caused by a wide variety of enteric pathogens acquired by ingestion of contaminated food or water. One or more pathogens can be found in the stool of a majority of ill individuals. Enterotoxigenic Escherichia coli generally are the most frequently identified pathogens, having been found in a median of 42% of travelers' diarrheal episodes in studies in Latin America, 36% in Africa, and 16% in Asia. Other pathogens that cause diarrhea in a smaller fraction of ill travelers include Shigella species, Salmonella species, Campylobacter jejuni, Vibrio, Aeromonas hydrophila, Entamoeba histolytica, Giardia lamblia, rotavirus, and 27-nm viruses, including Norwalk virus. Other organisms that may cause a fraction of the episodes of travelers' diarrhea include Plesiomonas shigelloides, enteroadherent E. coli, adenovirus or other viruses, and Cryptosporidium. Mixed infections of two or more of these pathogens also occur.
Late Breaking Abstract - Effect on asthma control using a novel digital self-management system: a physician blinded randomised controlled cross-over pilot trial (2018)

<b>Background:</b> Asthmatuner is a new self-management system that consists of a patient app, a cloud based storage solution and a healthcare interface. Patients use a Bluetooth spirometer (MIR SmartOne) to measure FEV1 and can register symptoms. They then receive immediate feedback on asthma control and an image of the correct inhaler(s) to use and the dose, coupled to their treatment plan. We aimed to evaluate the effect of Asthmatuner on asthma control test (ACT). <b>Methods:</b> This cross-over pilot study evaluated 38 schoolchildren (mean age 11 years) with uncontrolled asthma (ACT &lt;20 points), randomised to start 8 weeks with Asthmatuner or conventional management (paper personalized treatment plan), and with 2 weeks wash-out period between the periods. The outcome ACT was evaluated before and after each period with paired t-tests. <b>Results:</b> Both Asthmatuner and conventional arm resulted in significantly improved ACT between visit one and two (mean score 3.7 vs 2.4, p-values &lt;0.003) Figure 1. In addition, Asthmatuner improved the ACT between visit three and four (mean score 0.9 vs. - 0.2). When combining the two arms, the overall difference between Asthmatuner and conventional management did not reach statistical significance (p-0.23). <b>Conclusions:</b> Asthmatuner improves asthma control. Our findings support the use of digital self-management for asthma.
Synthesis and Structure–Activity Relationship Studies in Translocator Protein Ligands Based on a Pyrazolo[3,4-b]quinoline Scaffold (2011)

As a further development of our large program focused on the medicinal chemistry of translocator protein [TSPO (18 kDa)] ligands, a new class of compounds related to alpidem has been designed using SSR180575, emapunil, and previously published pyrrolo[3,4-b]quinoline derivatives 9 as templates. The designed compounds were synthesized by alkylation of the easily accessible 4-methyl-2-phenyl-1H-pyrazolo[3,4-b]quinolin-3(2H)-one derivatives 13-15 with the required bromoacetamides. Along with the expected 2-(4-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazolo[3,4-b]quinolin-1-yl)acetamide derivatives 10, 2-(4-methyl-3-oxo-2-phenyl-2H-pyrazolo[3,4-b]quinolin-9(3H)-yl)acetamide isomers 11 were isolated and characterized. The high TSPO affinity shown by new pyrazolo[3,4-b]quinoline derivatives 10 and especially 11 leads the way to further expand the chemical diversity in TSPO ligands and provides new templates and structure-affinity relationship data potentially useful in the design of new anxiolytic and neuroprotective agents.
Acyclic Guanosine Analogs Inhibit DNA Polymerases .alpha., .delta., and .epsilon. with Very Different Potencies and Have Unique Mechanisms of Action (1995)

Acyclovir triphosphate, ganciclovir triphosphate and penciclovir triphosphate inhibited DNA polymerases alpha, delta, and epsilon. Each triphosphate preferentially inhibited pol delta, although ganciclovir triphosphate was the most impressive of the three; the Ki for inhibition of pol delta was 2 microM (competitive with dGTP), while the Kis for inhibition of pol alpha and epsilon were 80 and 140 microM, respectively. Each of the compounds was polymerized by pol alpha, delta, and epsilon. Incorporation of acyclovir triphosphate resulted in immediate chain termination, whereas incorporation of ganciclovir triphosphate often allowed polymerization of additional dNTPs. Interestingly, chain termination most often occurred after polymerization of just one additional dNTP onto the ganciclovir monophosphate. All three compounds were very weak inhibitors of DNA primase. Acyclovir triphosphate, however, was a unique inhibitor of the pol alpha-catalyzed elongation of primase-synthesized primers. Immediately after DNA primase synthesized a primer, pol alpha frequently incorporated acyclovir triphosphate with consequent chain termination. If, however, pol alpha did not immediately polymerize acyclovir triphosphate onto the primase-synthesized primer, further dNTPs were readily added and acyclovir triphosphate was incorporated much less frequently.
Leaving the bench: Supreme Court justices at the end (1999)

Suffering from a bad heart, emphysema, glaucoma, and deafness, Thurgood Marshall finally retired from the Supreme Court at the age of 82 in spite of having always claimed was appointed to a life term, and I intend to serve it. Many observers felt he should have left much earlier. Life appointments make Supreme Court justices among the most powerful officials in government and allow even dysfunctional judges to stay on long after they should have departed. For that reason, when a justice leaves the bench is often as controversial as when he's appointed. This first comprehensive historical treatment of their deaths, resignations, and retirements explains when and why justices do step down. It considers the diverse circumstances under which they leave office and clarifies why they often are reluctant to, showing how factors like pensions, party loyalty, or personal pride come into play. It also relates physical ailments to mental faculties, offering examples of how a justice's disability sometimes affects Court decisions. David Atkinson examines each of the nearly 100 men who have left the bench and provides anecdotal glimpses into the lives of famous and obscure justices alike. He reveals how men like Salmon Chase and William O. Douglas determinedly continued to serve after suffering strokes, how Joseph McKenna persevered despite knowing he was professionally unqualified, and how, long before Thurgood Marshall, the ailing octogenarian Gabriel Duvall finally retired after struggling to protect another ideological position on the Ultimately, Atkinson shows just how human these people are and enhances our understanding of how the Court conducts its business. He also suggests specific ways to improve the present situation, weighing the pros and cons of mandatory retirement and calling for reform in the delegation of duties to law clerks who in recent years have dominated the actual writing of many justices' decisions. As the current Court ages, how long might we expect justices to remain on the bench? Because our next president will likely make several appointments, now is the time to consider what shape the Supreme Court will take in the next century. Offering a wealth of information never before collected, Leaving the Bench provides substantial grist for that debate and will serve as an unimpeachable reference on the Court.
Direct Amide Synthesis from Alcohols and Amines by Phosphine‐Free Ruthenium Catalyst Systems (2009)

Abstract Amides are synthesized directly from alcohols and amines in high yields using an in situ generated catalyst from easily available ruthenium complexes such as the ( p ‐cymene)ruthenium dichloride dimer, [Ru( p ‐cymeme)Cl 2 ] 2 , or the (benzene)ruthenium dichloride dimer, [Ru(benzene)Cl 2 ] 2 , an N‐heterocyclic carbene (NHC) ligand, and a nitrogen containing L‐type ligand such as acetonitrile. The phosphine‐free catalyst systems showed improved or comparable activity compared to previous phosphine‐based catalytic systems. The in situ generated catalyst from [Ru(benzene)Cl 2 ] 2 , an NHC ligand, and acetonitrile showed excellent activity toward reactions with cyclic secondary amines such as piperidine and morpholine.
Liver‐infiltrating and circulating CD4+ T cells in chronic hepatitis C: immunodominant epitopes, HLA‐restriction and functional significance (1996)

The aim was to assess the specificity and functional significance of liver-infiltrating and peripheral blood T cells in chronic hepatitis C. Peripheral blood mononuclear cells hepatitis C virus from 50 of 58 (86.2%) patients with chronic hepatitis C virus infection and 6 of 28 (21.4%) controls showed a proliferative T cell response to at least one of 16 synthetic peptides covering highly conserved regions of the core, envelope (El) and non-structural regions (NS4) of hepatitis C virus. However, six immunodominant peptides were exclusively recognized by the proliferating blood mononuclear cells from 46 patients with chronic hepatitis C virus infection (79.3%). Fine specificity and HLA-restriction were studied with 15 peptide-specific CD4+ T cell lines and 23 T cell clones isolated from liver tissue and peripheral blood of 12 patients with chronic hepatitis C. It was demonstrated that the peptide-specific response of CD4+ T cells was restricted to the presence of autologous accessory cells and HLA-DR and -DP molecules. Eight peptide-specific T cell lines and five T cell clones derived from liver tissue and peripheral blood, released interferon-gamma (200-6600 pg/ml) and tumor necrosis factor-alpha (100-400 pg/ml) and no or little interleukin-4 (< 140 pg/ml) after peptide-specific or mitogeneic stimulation, thus resembling a Th1-like cytokine profile. Patients with active liver disease showed significantly higher proliferative responses to hepatitis C virus core peptides than asymptomatic hepatitis C virus carriers or complete responders to interferon therapy. In conclusion, class II-restricted CD4+ T cell responses to some immunodominant epitopes within the hepatitis core region correlated with disease activity in chronic hepatitis C virus infection. Functionally, liver-infiltrating and peripheral blood T cells released Th1-like cytokines in response to the specific stimulus. Thus, it can be suggested that CD4+ T cells can mediate the pathogenesis of chronic hepatitis C virus induced liver disease.
Fams-ace: A combined method to select the best model after remodeling all server models (2007)

During Critical Assessment of Protein Structure Prediction (CASP7, Pacific Grove, CA, 2006), fams-ace was entered in the 3D coordinate prediction category as a human expert group. The procedure can be summarized by the following three steps. (1) All the server models were refined and rebuilt utilizing our homology modeling method. (2) Representative structures were selected from each server, according to a model quality evaluation, based on a 3D1D profile score (like Verify3D). (3) The top five models were selected and submitted in the order of the consensus-based score (like 3D-Jury). Fams-ace is a fully automated server and does not require human intervention. In this article, we introduce the methodology of fams-ace and discuss the successes and failures of this approach during CASP7. In addition, we discuss possible improvements for the next CASP.
Efficient Convention Emergence through Decoupled Reinforcement Social Learning with Teacher-Student Mechanism (2018)

In this paper, we design reinforcement learning based (RL-based) strategies to promote convention emergence in multiagent systems (MASs) with large convention space. We apply our approaches to a language coordination problem in which agents need to coordinate on a dominant lexicon for efficient communication. By modeling each lexicon which maps each concept to a single word as a Markov strategy representation, the original single-state convention learning problem can be transformed into a multi-state multiagent coordination problem. The dynamics of lexicon evolutions during an interaction episode can be modeled as a Markov game, which allows agents to improve the action values of each concept separately and incrementally. Specifically we propose two learning strategies, multiple-Q and multiple-R, and also propose incorporating teacher-student mechanism on top of the learning strategies to accelerate lexicon convergence speed. Extensive experiments verify that our approaches outperform the state-of-the-art approaches in terms of convergence efficiency, convention quality and scalability.
Assistive Technology through Internet of Things and Edge Computing (2019)

This paper proposes a framework that applies computer vision and machine learning techniques, through an Internet of Things (IoT) network, with the use of cloud computing for capacity increase. Images are captured by an IoT device and sent for an edge element (IoT node), which processes them, identifies objects, computes distances, and, ultimately, converts that information into audible commands, in order to provide guidance for visually-impaired people. Unrecognized objects are sent to a cloud service, in order to provide network retraining and, consequently, system evolution. With the goal of validation, the proposed framework was implemented, using known and proven technologies, such as Raspberry Pi, Esp32-CAM, OpenCv, Tensorflow, Google-TTS and Python. Finally, experimental results demonstrated its feasibility and effectiveness.
A Parallel Differential Correlation Acquisition Algorithm in Time Domain (2009)

This paper presents a parallel differential correlation acquisition algorithm in time domain for the Global Navigation Satellite System (GNSS) hardware receivers, which synchronizes multi satellite-signals simultaneous by reusing the correlation results. We compare the computational complexity of the proposed algorithm with other correlation algorithms in time domain and the FFT-based correlation algorithm. Analysis and simulation results indicate that our algorithm outperforms other correlation algorithms in computational complexity without using rounding and scaling operations and it is feasible in the practical hardware systems.
Effect of Bitumen Viscosity and Bitumen-Water Interfacial Tension on the Efficiency of Steam Assisted Bitumen Recovery Processes (2013)

Abstract In Alberta, Canada bitumen is commercially produced by in-situ processes at about 830,000 bbl/d capacity, production capacity is projected to exceed 5,000,000 bbl/d in the next two decades. Steam assisted gravity drainage (SAGD) process is one of the in-situ bitumen recovery processes; the economics and efficiency of which would be improved by reducing the steam to bitumen ratio. For this purpose, the addition of light hydrocarbon solvents into steam as a solvent to reduce bitumen viscosity has been studied; however, several decades of research efforts has resulted in only limited commercial success. More recently, as an alternative to solvent addition, the use of biodiesel (fatty acid methyl esters) with steam as a surfactant additive reducing bitumen-water interfacial tension was proposed and studied experimentally (Babadagli et al, 2009; Babadagli and Ozum, 2010). In the present study, experiments were performed at typical reservoir pressure conditions to evaluate the performance of solvent (pentane) addition with steam to reduce viscosity and biodiesel addition with steam to reduce bitumen-water interfacial tension to improve bitumen recovery efficiency. The results showed that bitumen recovery efficiency may decrease with the addition of hydrocarbon solvent if the solvent is added after a certain period of steam injection. Solvent addition to the steam was tested at 5% and 15% of bitumen mass dosages. Steam assisted bitumen recovery tests with biodiesel addition under 2-g/kg-bitumen dosage showed an increase in bitumen recovery efficiency. To further investigate the reasons behind the lowered recovery with solvent addition, an analytical model was developed to predict heat transfer and pressure fields in the reservoir causing Darcy flow, and therefore, bitumen mobility. The distribution of the aqueous and solvent phases injected in time and space considering the phase change (steam and solvent condensation) effect with respect to steam chamber were clarified for different injection conditions and scenarios. The results and observation will be useful in defining the appropriate application conditions for both solvent as a viscosity reducer and biodiesel as an interfacial tension reducer additive in SAGD operations.
Ultra-high thermal effusivity materials for resonant ambient thermal energy harvesting (2018)

Materials science has made progress in maximizing or minimizing the thermal conductivity of materials; however, the thermal effusivity-related to the product of conductivity and capacity-has received limited attention, despite its importance in the coupling of thermal energy to the environment. Herein, we design materials that maximize the thermal effusivity by impregnating copper and nickel foams with conformal, chemical-vapor-deposited graphene and octadecane as a phase change material. These materials are ideal for ambient energy harvesting in the form of what we call thermal resonators to generate persistent electrical power from thermal fluctuations over large ranges of frequencies. Theory and experiment demonstrate that the harvestable power for these devices is proportional to the thermal effusivity of the dominant thermal mass. To illustrate, we measure persistent energy harvesting from diurnal frequencies, extracting as high as 350 mV and 1.3 mW from approximately 10 °C diurnal temperature differences.
Usefulness of surface phenotype study of intrathyroidal lymphocytes obtained by fine needle aspiration cytology in autoimmune thyroid disease and malignant lymphoma of the thyroid (1998)

Surface phenotype study of intrathyroid lymphocytes obtained by fine needle aspiration has limited utility in the evaluation or diagnosis of Graves' disease and chronic thyroiditis. However, this simple rapid method is very helpful in the diagnosis and follow up of malignant lymphoma of the thyroid.
Adenosine A1-A2A receptor heteromers: new targets for caffeine in the brain (2007)

The contribution of blockade of adenosine A1 and A2A receptor to the psychostimulant effects of caffeine is still a matter of debate. When analyzing motor activity in rats, acutely administered caffeine shows a profile of a non-selective adenosine receptor antagonist, although with preferential A1 receptor antagonism. On the other hand, tolerance to the effects of A1 receptor blockade seems to be mostly responsible for the tolerance to the motor-activating effects of caffeine, while the residual motor-activating effects of caffeine in tolerant individuals seem to involve A2A receptor blockade. These behavioral studies correlate with in vivo microdialysis experiments that suggest that A1 receptor-mediated modulation of striatal glutamate release is involved in the psychostimulant effects of caffeine. Experiments in transfected cells demonstrate the ability of A1 receptors to heteromerize with A2A receptors and the A1-A2A receptor heteromer can be biochemically identified in the striatum, in striatal glutamatergic terminals. The striatal A1-A2A receptor heteromer provides a "concentration-dependent switch" mechanism by which low and high concentrations of synaptic adenosine produce the opposite effects on glutamate release. The analysis of the function of A1-A2A receptor heteromers during chronic treatment with caffeine gives new clues about the well-known phenomenon of tolerance to the psychostimulant effects of caffeine.
Patternable transparent carbon nanotube films for electrochromic devices (2007)

This paper reports the application of transparent single walled carbon nanotube films on polyethylene terephthalate as flexible electrodes in electrochromic devices using polyaniline as the active layer, where Sn-doped In2O3 on plastic is not suitable due to its high sensitivity to acids. Patterning of nanotube films with resolution of 50μm is achieved by simply using the transfer printing method based on polydimethylsiloxane stamps. The combination of high optical transparency, low sheet resistance, robust mechanical and environmental stabilities, and ease of patterning of nanotube films meets the requirements for flexible voltage-driven type of displays.
Gradient Zn-Doped Poly Heptazine Imides Integrated with a van der Waals Homojunction Boosting Visible Light-Driven Water Oxidation Activities (2021)

Ionothermal synthesis of amorphous melon in a ternary salt melt (ZnCl2–LiCl–KCl) with lower melting points could promote the polycondensation process and improve the degree of crystallinity. As Zn2+ ions tend to incorporate with edge nitrogen of carbon nitride via Lewis acid–base interactions, a series of crystalline hybrid poly heptazine imides (PHI), namely, Zn-PHI/PHI, integrated by van der Waals interactions, were generated as main products. Interestingly, the contents of doped Zn2+ ions of the as-synthesized Zn-PHI/PHI gradually decrease from the bulk interior to surfaces, due to the evaporation of ZnCl2 during thermal heating processes. Accordingly, a built-in electric field would be created in the catalyst, which largely accelerates a separation of the photogenerated charge carriers at the interfaces. Owing to the fast charge carrier separation and transfer, this hybrid polymer is active for photocatalytic water oxidation with an apparent quantum yield of up to 3.6% at 420 nm. This work offers a strategy for the rational design and synthesis of polymeric photocatalysts for water oxidation reaction.