gebhart/patrepeval huggingface dataset:
Doppelte Deprotonierung von 3-Nitropropen und 4-Nitro-1-buten: Derivate ihrer Dianionen als neuartige Reagentien zur CC-Verknüpfung (1978)

Doppelt deprotoniertes 4-Nitro-1-buten (1) ist ein Crotonaldehydenolat-Äquivalent (2), das sich mit Elektrophilen bevorzugt zu γ- (3) und nicht wie normale Dienolate zu α-substituierten Produkten (4) umsetzt. Die Verbindungen (3) lassen sich durch Nef-Reaktion in die α,β-ungesättigten Aldehyde überführen.
Electron Flow Generated by Gas Phase Exothermic Catalytic Reactions Using a Platinum−Gallium Nitride Nanodiode (2005)

We report steady-state conversion of chemical reaction energy into hot electrons by ballistic injection into a platinum-gallium nitride (Pt/GaN) nanodiode during the platinum-catalyzed oxidation of carbon monoxide. Surface catalytic reactions of molecules from the gas phase generated continuous steady-state hot electron currents with energies at least that of Schottky barrier energy ( approximately 1 eV). These hot electron currents were observed on two different nanodiodes (Pt/TiO2 and Pt/GaN) and represent a new method of chemical energy conversion.
Clinical End Points in Coronary Stent Trials (2007)

Although consensus criteria will inevitably include certain arbitrary features, consensus criteria for clinical end points provide consistency across studies that can facilitate the evaluation of safety and effectiveness of these devices.
Electronic properties ofAcenters in CdTe: A comparison with experiment (1993)

The temperature variation of the A-center (a cadmium-vacancy halogen-donor pair) luminescence has been calculated using a temperature-dependent electron-ion interaction. The photoluminescence lines of the A center show a pronounced shift with temperature between 4 and 50 K. The zero-phonon line is explained in terms of a donor-acceptor pair transition and the temperature dependence is not due to the thermal expansion of the CdTe crystal. It results from excitations of electrons from shallow levels of isolated halogen donors and from transitions from the conduction-band edge to the deep acceptor level of the A center.
Preparation and Crystal Structures of Tetracyanoquinodimethans Fused with [1,2,5]Selenadiazole Units (1987)

Abstract The title electron acceptors, TSDA (2) and BSDA (3), were prepared which crystallize isomorphously with the sulfur analogue, BTDA (1). The molecular interactions are enhanced in 2 and 3 compared with 1, which connect the molecules to form two-dimensionally expanded “sheet-like” networks and their infinite layers.
Design of in-pipe robot based on inertial positioning and visual detection (2016)

The horizontal directional drilling technology is widely used to lay the underground pipelines. These pipelines are of small or medium diameters with a dip angle ranging from 10° to 20°, special pipelines to 30°. In-pipe robot is commonly used to detect the pipeline fault. A new type of telescopic in-pipe robot is designed in this article, which is driven by step motor and screw, and supported by wheels. The robot has advantages of waterproof grade of IP68, stable motion state, and larger traction force. The speed is between telescopic robots and wheeled robots. Through force analysis and calculation, its maximum climbing angle is larger than 35°. The robot has good passing ability through the pipelines with bends. The inertial technology is used to locate the robot under the condition of disturbances. The pipeline fault detection algorithm based on the visual identification technology is designed to detect the pipeline fault. It can not only achieve autonomic positioning but also detect the pipeline fault.
Use of continuous-wave illumination for two-photon three-dimensional optical bit data storage in a photobleaching polymer (1999)

We show that a continuous-wave laser beam at an infrared wavelength of 800 nm can be used for two-photon three-dimensional bit data storage in a photobleaching polymer. We successfully demonstrate recording and reading of six layers of data bits with a transverse bit separation of 4.3microm and an axial layer separation of 20microm . This result leads to a three-dimensional bit density of approximately 3Gbits/cm(3) .
Vitamin E Consumption and the Risk of Coronary Disease in Women (1993)

Although these prospective data do not prove a cause-and-effect relation, they suggest that among middle-aged women the use of vitamin E supplements is associated with a reduced risk of coronary heart disease. Randomized trials of vitamin E in the primary and secondary prevention of coronary disease are being conducted; public policy recommendations about the widespread use of vitamin E should await the results of these trials.
Mechanism-Based Inhibition of Human Steroid 5α-Reductase by Finasteride:  Enzyme-Catalyzed Formation of NADP−Dihydrofinasteride, a Potent Bisubstrate Analog Inhibitor (1996)

Finasteride is employed in treatment of benign prostatic hyperplasia in man, where its target enzyme is steroid 5α-reductase. It is a novel, potent mechanism-based inhibitor of the human prostate (type 2) isozyme. Although it is accepted as an alternate substrate and is ultimately reduced to dihydrofinasteride, this proceeds through an enzyme-bound NADP−dihydrofinasteride adduct. Finasteride is processed with a second-order rate constant, ki/Ki = 1 × 106 M-1 s-1, that approaches kcat/Km for reduction of testosterone, 3 × 106 M-1 s-1, and essentially every catalytic event is lethal (partition ratio ≤ 1.07). The membrane-bound enzyme−inhibitor complex formed from [3H]finasteride appears to release [3H]dihydrofinasteride with a half-life of 1 month at 37 °C (k = (2.57 ± 0.03) × 10-7 s-1), as identified by mass spectroscopy. The intermediate NADP−dihydrofinasteride adduct can be recovered intact by denaturation of the enzyme−inhibitor complex and has been purified. Free in solution, it likewise decomposes to dihydrofinasteride (half-life = 11 days). An extremely potent bisubstrate analog inhibitor, this NADP−dihydrofinasteride adduct binds to the free enzyme with a second-order rate constant equal to kcat/Km for turnover of testosterone and has a dissociation constant Ki ≤ 1 × 10-13 M. Finasteride is also a mechanism-based inhibitor of the human skin (type 1) isozyme, but it is processed with a much smaller second-order rate constant, ki/Ki = 3 × 103 M-1 s-1, which attenuates its activity against this isozyme in vivo. The mechanism explains the exceptional potency and specificity of finasteride in treatment of benign prostatic hyperplasia, and the concept may have application to other pyridine nucleotide-linked enzymes.
Participation of C1q and its receptor in adherence of human diploid fibroblast. (1990)

C1q binds through its collagen-like domain to specific surface receptors of fibroblasts and to adhesive elements of extracellular matrix including fibronectin, collagens, proteoglycans, and laminin. To determine whether C1q participates in fibroblast adhesion, cells in serum-free medium were plated on surfaces coated with purified C1q at physiologic ionic strength and pH. Surfaces coated with fibronectin or collagen type I served as positive controls, and those coated with BSA were negative controls. Substratum-adsorbed C1q promoted fibroblast adhesion to a maximum of 73% of available cells within 90 min at 37 degrees C. Adhesion was C1q concentration dependent, saturable, specific, and dependent on the collagen-like domain of the molecule. De novo protein synthesis plays a role in adhesion: pretreatment of fibroblasts with cycloheximide reduced adherence about 50% of controls. Addition of exogenous fibronectin, collagen type I, or C1q as soluble mediators did not affect adhesion of the cycloheximide-treated cells to C1q substrate. Adhesion could be accounted for primarily, although not completely, by the C1q receptors. Antibodies raised against the Raji cell C1q receptors (alpha C1qR Ab) specifically inhibited fibroblast adhesion to C1q substrates about 60% of controls. The binding of fibroblasts to C1q substrates could be inhibited about 24% of controls with the GRGDTP cell recognition peptide. GRGDTP and alpha C1q Ab had an additive effect on adhesion that was inhibited 77 to 80% of controls. We conclude from these data that aggregated rather than monomeric C1q may be the natural ligand of the fibroblast C1q receptor, and the biologic function of the receptor in cells of the connective tissue may be cell adhesion.
U.S. Department of Education’s Teacher Education Reform (2012)

A response from the field to Secretary of Education Arne Duncan and President Barack Obama’s plan for teacher education reform and improvement as described in the document Our Future, Our Teachers (2011).
Un laboratoire d'immigration post-fordiste (2004)

L'extrême variété des mécanismes en jeu fait du système migratoire italien un laboratoire des nouvelles formes de gestion de l'immigration, entre instrumentalisation et intégration, entre liberté et criminalisation. Ce sont principalement les systèmes locaux et les réseaux sociaux qui charpentent ce phénomène, ce qui explique le hiatus entre les cristallisations politiques nationales et la réussite individuelle de certains projets locaux d'intégration, comme entre des pratiques discriminatoires de facto et des stratégies efficaces de migrants, fondées sur la circulation. Si les populations issues de l'immigration sont dans leur grande majorité marginalisées, on note des formes d'intégration multiples et des rapports progressivement négociés avec la société ou les institutions italiennes. L'intégration, qui reflète les contradictions de la société et du marché du travail, se fait donc en « clair-obscur ».
Human Bone Morphogenetic Protein 2 Contains a Heparin‐Binding Site which Modifies Its Biological Activity (1996)

Bone morphogenetic protein 2 (BMP-2) plays a decisive role during bone regeneration and repair as well as during various stages of embryonal development. A cDNA encoding mature human BMP-2 could be efficiently expressed in Escherichia coli, and after renaturation a dimeric BMP-2 protein of M(r) 26,000 was prepared with a purity greater 98%. The recombinant BMP-2 was functionally active as demonstrated by the induction of alkaline phosphatase activity in the C3H10T1/2 fibroblast cell line (EC50 of 70 nM) and proteoglycan synthesis in embryonic chicken limb bud cells (EC50 of 15-20 nM). A peptide 1-17 representing the N-terminal basic part of BMP-2 as well as heparin increased the specific activity of the protein about fivefold in the limb bud assay. These observations suggested that the N-terminai reduce the specific activity of BMP-2, probably by interacting with heparinic sites in the extracellular matrix. This conclusion was supported by a variant EHBMP-2, where the N-terminal residues 1-12 of BMP-2 had been substituted by a dummy sequence of equal length and which showed an EC50 value of around 1 nM which was affected neither by heparin nor by peptide 1-17. A physical interaction between BMP-2 and heparin could be seen in biosensor experiments, where BMP-2 bound to immobilized heparin with a dissociation constant, Kd, of approximately 20 nM, whereas the heparin-binding of variant EHBMP-2 was negligible. These results identify the basic N-terminal domains of dimeric BMP-2 as heparin-binding sites that are not obligatory for receptor activation but modulate its biological activity.
Enhancement of α-Helix Mimicry by an α/β-Peptide Foldamer via Incorporation of a Dense Ionic Side-Chain Array (2012)

We report a new method for preorganization of α/β-peptide helices, based on the use of a dense array of acidic and basic side chains. Previously we have used cyclically constrained β residues to promote α/β-peptide helicity; here we show that an engineered ion pair array can be comparably effective, as indicated by mimicry of the CHR domain of HIV protein gp41. The new design is effective in biochemical and cell-based infectivity assays; however, the resulting α/β-peptide is susceptible to proteolysis. This susceptibility was addressed via introduction of a few cyclic β residues near the cleavage site, to produce the most stable, effective α/β-peptide gp41 CHR analogue identified. Crystal structures of an α- and α/β-peptide (each involved in a gp41-mimetic helix bundle) that contain the dense acid/base residue array manifest disorder in the ionic side chains, but there is little side-chain disorder in analogous α- and α/β-peptide structures with a sparser ionic side-chain array. These observations suggest that dense arrays of complementary acidic and basic residues can provide conformational stabilization via Coulombic attractions that do not require entropically costly ordering of side chains.
Glycine reversal of felbamate hypoxic protection (1993)

We investigated the role of glycine in felbamate hypoxic neuroprotection using the rat hippocampal slice. Following hypoxic exposure, CA1 orthodromic PS recovered a mean 26 +/- 3% of original amplitude; treatment with 1.3 mM felbamate, a recently developed anticonvulsant, increased this recovery to 95 +/- 3%. However, the addition of 10 microM glycine with felbamate during hypoxia, reduced this recovery to 16 +/- 12%. The glycine EC50 for reversal of felbamate hypoxic protection was found to be 4.4 microM. Glycine 10 microM given during hypoxia without felbamate, slightly exacerbated subsequent injury, with 13 +/- 3% recovery seen. Glycine 100 microM given alone under normoxic conditions showed no effect. Reversal of felbamate hypoxic protection was specific for glycine, and was not seen with 50 microM glutamate. These results suggest that felbamate neuroprotection from hypoxia occurs through a glycine interaction.
Targeted disruption of the hepatocyte growth factor β-chain/Met interface inhibits HGF-dependent Met signaling (2007)

AACR Annual Meeting-- Apr 14-18, 2007; Los Angeles, CA

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Hepatocyte growth factor (HGF) binds the receptor tyrosine kinase Met to trigger a complex set of intracellular signaling pathways. Together, HGF and Met regulate cell proliferation, motility and morphogenesis, key processes that contribute to invasive tumor growth and angiogenesis. Previously, we have shown that upon proteolytic activation, there is a conformational rearrangement of the serine protease-like HGF β-chain (HGF β) that reveals a critical Met binding site required for signaling (1,2). Thus, we hypothesized that by targeting HGF at the β-chain/Met interface, we could inhibit signal transduction in the HGF/Met pathway. To screen for inhibitors, linear and disulfide constrained naive peptide libraries displayed on phage were sorted against HGF and HGF β. Following multiple rounds of enrichment, we identified a disulfide-constrained 15-mer peptide termed P10, originating from the library X4CX5CX4 (where X denotes all 20 amino acids). Peptide P10 binds to the HGF β-chain and blocks solution phase binding of HGF β to Met-IgG with an IC50 of 450 nM. In MDA-MB435 breast carcinoma cells, P10 (100 μM) reduced HGF-dependent Met phosphorylation by ~ 70% compared to HGF alone. Similarly, P10 also reduced downstream AKT and p44/42 phosphorylation by 74% and 69%, respectively. In a transwell assay, P10 was able to inhibit the migration of MDA-MB435 cells in response to HGF (1 nM) with an IC50 of ~ 20 μM. P10-S, an analog of P10 where the two cysteines were replaced with serines, was negative in all binding and activity assays, demonstrating the importance of the disulfide constraints on the tertiary structure for activity. The solution structure of P10 was solved by 2D 1H-NMR and revealed a β-hairpin loop, which is stabilized by the disulfide bond and hydrophobic stacking of two critical tryptophans. The N- and C-termini are in relatively close proximity and contain the majority of positions important for both binding and inhibition, determined by analysis of alanine scan analogs of P10. Notably, P10 does not bind murine HGF β, which shares ~ 90% identity to the human protein. Using various murine/human HGF β chimeras, we were able to map the binding epitope of P10 to surface residues of HGF β located near the Met interface. Currently, we are confirming this by generating crystals of P10 in complex with HGF β for X-ray analysis.

References 

1. D Kirchhofer, X Yao, M Peek, C Eigenbrot, MT Lipari, KL Billeci, HR Maun, P Moran, L Santell, C Wiesmann, and RA Lazarus. Structural and functional basis of the serine protease-like hepatocyte growth factor β-chain in Met binding and signaling. J Biol Chem (2004) 279: 39915 - 39924.

2. J Stamos, RA Lazarus, X Yao, D Kirchhofer, C Wiesmann. Crystal structure of the HGF β-chain in complex with the Sema domain of the Met receptor. EMBO J (2004) 23: 2325 - 2335.
SenSec: Mobile security through passive sensing (2013)

We introduce a new mobile system framework, SenSec, which uses passive sensory data to ensure the security of applications and data on mobile devices. SenSec constantly collects sensory data from accelerometers, gyroscopes and magnetometers and constructs the gesture model of how a user uses the device. SenSec calculates the sureness that the mobile device is being used by its owner. Based on the sureness score, mobile devices can dynamically request the user to provide active authentication (such as a strong password), or disable certain features of the mobile devices to protect user's privacy and information security. In this paper, we model such gesture patterns through a continuous n-gram language model using a set of features constructed from these sensors. We built mobile application prototype based on this model and use it to perform both user classification and user authentication experiments. User studies show that SenSec can achieve 75% accuracy in identifying the users and 71.3% accuracy in detecting the non-owners with only 13.1% false alarms.
The vitronectin binding area of plasminogen activator inhibitor‐1, mapped by mutagenesis and protection against an inactivating organochemical ligand (2002)

A distinguishing feature of serpins is their ability to undergo a conformational change consisting in insertion of the reactive centre loop (RCL) into beta-sheet A. In the serpin plasminogen activator inhibitor-1 (PAI-1), RCL movements are regulated by vitronectin, having a previously poorly defined binding site lateral to PAI-1's beta-sheet A. Using a novel strategy, based on identification of amino acid residues necessary for vitronectin protection of PAI-1 against inactivation by 4,4'-dianilino-1,1'-bisnaphthyl-5,5'-disulfonic acid, we have defined a vitronectin binding surface spanning 10 residues between alpha-helix F, beta-strand 2A, and alpha-helix E. Our results contribute to elucidating the unique serpin conformational change.
The effect of electrolyte composition on the electroreduction of CO2to CO on Ag based gas diffusion electrodes (2015)

The electroreduction of CO2 to C1-C2 chemicals can be a potential strategy for utilizing CO2 as a carbon feedstock. In this work, we investigate the effect of electrolytes on the electroreduction of CO2 to CO on Ag based gas diffusion electrodes. Electrolyte concentration was found to play a major role in the process for the electrolytes (KOH, KCl, and KHCO3) studied here. Several fold improvements in partial current densities of CO (jCO) were observed on moving from 0.5 M to 3.0 M electrolyte solution independent of the nature of the anion. jCO values as high as 440 mA cm(-2) with an energy efficiency (EE) of ≈ 42% and 230 mA cm(-2) with EE ≈ 54% were observed when using 3.0 M KOH. Electrochemical impedance spectroscopy showed that both the charge transfer resistance (Rct) and the cell resistance (Rcell) decreased on moving from a 0.5 M to a 3.0 M KOH electrolyte. Anions were found to play an important role with respect to reducing the onset potential of CO in the order OH(-) (-0.13 V vs. RHE) < HCO3(-) (-0.46 V vs. RHE) < Cl(-) (-0.60 V vs. RHE). A decrease in Rct upon increasing electrolyte concentration and the effect of anions on the cathode can be explained by an interplay of different interactions in the electrical double layer that can either stabilize or destabilize the rate limiting CO2˙(-) radical. EMIM based ionic liquids and 1 : 2 choline Cl urea based deep eutectic solvents (DESs) have been used for CO2 capture but exhibit low conductivity. Here, we investigate if the addition of KCl to such solutions can improve conductivity and hence jCO. Electrolytes containing KCl in combination with EMIM Cl, choline Cl, or DESs showed a two to three fold improvement in jCO in comparison to those without KCl. Using such mixtures can be a strategy for integrating the process of CO2 capture with CO2 conversion.
Characterization of the proteins released from activated platelets leads to localization of novel platelet proteins in human atherosclerotic lesions (2003)

Proteins secreted by activated platelets can adhere to the vessel wall and promote the development of atherosclerosis and thrombosis. Despite this biologic significance, however, the complement of proteins comprising the platelet releasate is largely unknown. Using a proteomics approach, we have identified more than 300 proteins released by human platelets following thrombin activation. Many of the proteins identified were not previously attributed to platelets, including secretogranin III, a potential monocyte chemoattractant precursor; cyclophilin A, a vascular smooth muscle cell growth factor; calumenin, an inhibitor of the vitamin K epoxide reductase-warfarin interaction, as well as proteins of unknown function that map to expressed sequence tags. Secretogranin III, cyclophilin A, and calumenin were confirmed to localize in platelets and to be released upon activation. Furthermore, while absent in normal vasculature, they were identified in human atherosclerotic lesions. Therefore, these and other proteins released from platelets may contribute to atherosclerosis and to the thrombosis that complicates the disease. Moreover, as soluble extracellular proteins, they may prove suitable as novel therapeutic targets.
Emergence of Epidermal Growth Factor Receptor T790M Mutation during Chronic Exposure to Gefitinib in a Non–Small Cell Lung Cancer Cell Line (2007)

The epidermal growth factor receptor (EGFR)-specific tyrosine kinase inhibitor gefitinib may provide dramatic clinical responses in some patients with pulmonary adenocarcinoma carrying activating mutations of the EGFR. However, prolonged administration of gefitinib may eventually induce acquired resistance in such patients. To gain insight into the mechanisms of this phenomenon, we placed PC-9, a cell line derived from pulmonary adenocarcinoma that has a 15-bp deletion in EGFR exon 19, under the continuous selective pressure of low levels of gefitinib without any mutagen, and established a subline that was able to grow in the presence of 2 micromol/L of gefitinib (designated RPC-9). In this cell line, about half of the reverse transcription-PCR products from mutated EGFR also carried an additional mutation (T790M). In keeping with the proposed role of T790M in abrogating gefitinib binding with EGFR, gefitinib-treated RPC-9 hardly displayed any decrease in the constitutive phosphorylation of EGFR, Akt, or Erk1/2 unlike in PC-9 cells. Interestingly, transfection of the EGFR carrying only a 15-bp deletion reversed the resistance to gefitinib in RPC-9 cells. Thus, the balance of expression levels between gefitinib-sensitive or gefitinib-resistant EGFR may govern the response to gefitinib in lung cancer.