gebhart/patrepeval huggingface dataset:
2-Sulfonylpyridines as Tunable, Cysteine-Reactive Electrophiles (2020)

The emerging use of covalent ligands as chemical probes and drugs would benefit from an expanded repertoire of cysteine-reactive electrophiles for efficient and diverse targeting of the proteome. Here we use the endogenous electrophile sensor of mammalian cells, the KEAP1-NRF2 pathway, to discover cysteine-reactive electrophilic fragments from a reporter-based screen for NRF2 activation. This strategy identified a series of 2-sulfonylpyridines that selectively react with biological thiols via nucleophilic aromatic substitution (S<sub>N</sub>Ar). By tuning the electrophilicity and appended recognition elements, we demonstrate the potential of the 2-sulfonylpyridine reactive group with the discovery of a selective covalent modifier of adenosine deaminase (ADA). Targeting a cysteine distal to the active site, this molecule attenuates the enzymatic activity of ADA and inhibits proliferation of lymphocytic cells. This study introduces a modular and tunable S<sub>N</sub>Ar-based reactive group for targeting reactive cysteines in the human proteome and illustrates the pharmacological utility of this electrophilic series.
Determining the photostability of avobenzone in sunscreen formulation models using ultrafast spectroscopy (2021)

Avobenzone is an ultraviolet (UV) filter that is often included in sunscreen formulations despite its lack of photostability. Its inclusion is necessary due to few existing alternatives for photoprotection in the UVA region (320-400 nm). To better understand and predict the photostability of avobenzone, ultrafast transient electronic absorption spectroscopy (TEAS) has been used to study the effects of solvent (including emollients), concentration and skin surface temperature on its excited-state relaxation mechanism, following photoexcitation with UVA radiation (∼350 nm). Subtle differences between the excited-state lifetimes were found between the systems, but the TEAS spectral features were qualitatively the same for all solution and temperature combinations. Alongside TEAS measurements, UV filter/emollient blends containing avobenzone were irradiated using simulated solar light and their degradation tracked using steady-state UV-visible spectroscopy. Sun protection factor (SPF) and UVA protection factor (UVA-PF) assessments were also carried out on representative oil phases (higher concentration blends), which could be used to formulate oil-in-water sunscreens. It was found that there was an apparent concentration dependence on the long-term photoprotective efficacy of these mixtures, which could be linked to the ultrafast photodynamics by the presence of a ground-state bleach offset. This combination of techniques shows potential for correlating long-term behaviours (minutes to hours) of avobenzone with its ultrafast photophysics (femtoseconds to nanoseconds), bridging the gap between fundamental photophysics/photochemistry and commercial sunscreen design.
Design of differentially flat planar space robots: a step forward in their planning and control (2004)

The motion of free-floating space robots is characterized by nonholonomic, i.e., non-integrable rate constraint equations. These constraints originate from principles of conservation of linear and angular momentum. It is well known that these rate constraints can also be written as input-affine drift-less control systems. Trajectory planning of these systems is extremely challenging and computation intensive since the motion must satisfy differential constraints. However, under certain conditions, these drift-less control systems can be shown to be differentially flat. The property of flatness allows a computationally in-expensive way to plan trajectories for the dynamic system between two configurations as well as develop feedback controllers. Nonholonomic rate constraints for free-floating planar open-chain robots are systematically studied to determine the design conditions under which the system exhibits differential flatness. Under these design conditions, the property of flatness is used for trajectory planning and feedback control under perturbations in the initial state.
Lack of diffuse loss of differential light sensitivity in early glaucoma (1989)

We studied the differential light sensitivity in 83 patients who were prospectively followed with computerized threshold preimetry and optic disc pathography because of suspect glaucoma. Eyes with media opacities were excluded from the analysis. Fourteen eyes developed progressive optic disc cupping and/or localized visual field loss. In this glaucoma group light sensitivity in the 10 best points in the visual field did not deviate more from estimated age-corrected standard values than in the remaining groups of 115 eyes with increased intraocular pressure and 18 normotensive eyes. The results do not support the concept that diffuse loss of differential light sensitivity should be common in early glaucoma.
Assessing the Durability of Engineered Cementitious Composites Under Freezing and Thawing Cycles (2009)

Abstract This paper reports the durability performance of non-air-entrained engineered cementitious composites (ECC) when subjected to freezing and thawing cycles. ECC is a newly developed, high-performance, fiber-reinforced, cementitious composite with substantial benefits both in terms of high ductility under uniaxial tensile loading and improved durability due to intrinsically tight crack width of less than 100 μm. To evaluate the frost durability of ECC, freezing and thawing testing in accordance with ASTM C666 Procedure A was conducted. The mass loss, pulse velocity change, and flexural parameters (ultimate deflection and flexural strength) of specimens subjected to freezing and thawing cycles were determined in the test. In addition, air-void parameters, in accordance with ASTM C457, modified point count method, and pore size distribution obtained by mercury intrusion porosimetry technique were studied. To analyze the influence of micro-fibers and high tensile strain capacity on the freezing and thawing durability of ECC, all of the above-mentioned properties were also investigated for a control ECC matrix (ECC without fibers). After 210 cycles of freezing and thawing, the control ECC matrix specimens were severely deteriorated, requiring removal from the test, but still exhibited better performance than the conventional non-air-entrained concrete, which would fail at much earlier cycles. On the other hand, ECC with fibers without air-entrainment had excellent resistance to cycles of freezing and thawing with minimal reduction in ultimate tensile strength and ductility. The observed superior frost durability of ECC over control ECC matrix in terms of lower weight loss, pulse velocity change, and higher flexural load and ductility can be attributed to the following reasons: Increase of pore volume larger than approximately 0.30 μm in diameter, intrinsically high tensile ductility and strength due to the presence of micro-poly-vinyl-alcohol fibers.
Construction and Characterization of an Isogenic slt-ii Deletion Mutant of Enterohemorrhagic Escherichia coli (1998)

Enterohemorrhagic Escherichia coli (EHEC) produces Shiga-like toxins (SLT), potent protein synthesis inhibitors. To further dissect the role of SLT-II in the course of disease, we have constructed E. coli TUV86-2, an isogenic SLT-II-negative mutant of EHEC strain 86-24. The slt-ii gene was inactivated by suicide vector mutagenesis. We also isolated derivatives of strain 86-24 that were cured of the phage carrying the toxin genes.
Metal complexes with a chiral N4 symmetrical Schiff base. Crystal structures of the ligand and its Cu(ii) and Ni(ii) “mono-helicates” (2002)

The N4 Schiff base ligand N,N′-bis(2-tosylaminobenzylidene)-1,2-diaminocyclohexane (H2cyTs) and its divalent metal (Fe, Co, Ni, Cu, Zn and Cd) complexes have been prepared. Of these compounds only Zn(trans-cyTs)·3H2O can be considered as blue luminescent (λ = 435 nm, ϕ = 0, 12). Either demetallation or the absence of the tosyl groups, results in a loss of fluorescence. The X-ray crystal structures of a diastereoisomeric mixture of H2cyTs and its (1R,2R)-enantiomer, as well as those corresponding to Cu(trans-cyTs)·MeCN and Ni(trans-cyTs)·MeCN have been solved. The Cu(II) and Ni(II) ions assume tetrahedrally distorted square planar coordination geometries, involving the four donor N-atoms of the dianionic ligand. The spatial disposition of both tosyl groups prevents global consideration as an usual symmetric helicand.
ChemInform Abstract: An Efficacious Synthesis of Aryl and Heteroaryl C‐Glycosides. (1987)

Abstract Diels‐Alder cycloaddition of the nitrile oxide, derived from the protected nitro sugar (I) with the allylindole (II) produces the isoxazoline (III) which undergoes Lewis acid catalyzed aromatization reaction after hydrogenation, forming the ribofuranosylcarbazoles (V).
Fabrication of microchannels for compliant wafer level packaging using sacrificial materials (2003)

Electronic packaging and chip-to-module connections have evolved to meet the needs of electronic systems. The rate of change of the technology will accelerate as the package disappears and optical interconnects come into play. Compliant wafer-scale packaging is an approach which can be used to provide acceptable electrical and mechanical functions for future electronic packaging. In this work, buried air-cavities using sacrificial polymers are used to provide compressible input/output leads.
Computerized perimetry in glaucoma management (1989)

The present article discusses the role of computerized perimetry in the management of patients with suspect and manifest glaucoma. The value of visual field examination is compared to that of inspection and photography of the optic disc and to some extent to retinal nerve fibre layer photography. Computerized perimetry is related to standard manual visual field examination. Guidelines are offered for the choice of test programs and for the interpretation of results.
Development of integrated mode reformatting components for diffraction-limited spectroscopy (2015)

We present the results of our work on developing fully integrated devices (photonic dicers) for reformatting multimode light to a diffraction limited pseudo-slit. These devices can be used to couple a seeing limited telescope point spread function to a spectrograph operating at the diffraction limit, thus potentially enabling compact, high-resolution spectrographs that are free of modal noise.
Thermal Spray Processes and Materials for Coating Applications of SOFC Components (2009)

The production of high quality coatings for fuel cell applications in an industrial scale requires stable, reliable and economically efficient processes. In the recent years, Sulzer Metco has been actively developing coating solutions to fulfill the requirements of fuel cells coating production, in particular for SOFC applications based on both metal and ceramic supported cells. This includes the use of new thermal spray technologies such as LPPS®-Thin Film and TriplexPro{trade mark, serif}-200 to produce the functional layers of fuel cells, such as the electrodes, electrolytes and diffusion barrier layers. In parallel, the development of new powder materials specifically designed towards optimized coating process and functionality has shown an improvement of the cell performance. Both coating technologies have a high potential regarding economical coating production on an industrial large volume scale. This paper presents the current status of developments of the advanced coating technologies together with an overview of the used materials and analysis of the applied coatings.
Hybrids of Organic Molecules and Flat, Oxide-Free Silicon: High-Density Monolayers, Electronic Properties, and Functionalization (2012)

Since the first report of Si-C bound organic monolayers on oxide-free Si almost two decades ago, a substantial amount of research has focused on studying the fundamental mechanical and electronic properties of these Si/molecule surfaces and interfaces. This feature article covers three closely related topics, including recent advances in achieving high-density organic monolayers (i.e., atomic coverage >55%) on oxide-free Si(111) substrates, an overview of progress in the fundamental understanding of the energetics and electronic properties of hybrid Si/molecule systems, and a brief summary of recent examples of subsequent functionalization on these high-density monolayers, which can significantly expand the range of applicability. Taken together, these topics provide an overview of the present status of this active area of research.
Present Situation and Future Trends in Automotive Optical Fiber Networks (2014)

The data-rate of in-vehicle communication requires improvement due to the implementation of infotainment applications and advanced driver assistance systems. In order to meet severe in-vehicle requirements, engineers have been continuously developing a physical layer, trying to choose between a metal cable and an optical fiber. In this paper, we review the present state and some future activities regarding in-vehicle optical fiber networks especially from the aspect of both device development and standardization.
The Infrared Morphology of Galactic Centers (1987)

Initial results are presented of a program to map the centers of galaxies in the mid-infrared using the NASA-MSFC 20 pixel bolometer array. Maps at 10.8 micrometer of the galaxies NGC 5236 (M82), NGC 1808, NGC 4536, and NGC 4527 reveal complex emitting regions ranging in size from 500 pc to 2 kpc. The infrared spatial distributions generally resemble those in the visible and radio. In all cases a large fraction of the IRAS 12 micrometer flux originates in spatial structures prominent in the maps.
Autochthonous Leprosy without Armadillo Exposure, Eastern United States (2017)

Autochthonous leprosy has been reported in New York City, where there are no wild armadillos. Recent autochthonous cases also have been reported in Georgia and Florida and blamed on armadillos, including cases with no known armadillo exposure. International migration needs to be considered as a cause of autochthonous leprosy.
Dual Alloying Strategy to Achieve a High Thermoelectric Figure of Merit and Lattice Hardening in p-Type Nanostructured PbTe (2018)

The introduction of an alkaline earth metal telluride as a second phase in PbTe can lead to very high thermoelectric figure of merit, ZT, as a result of hierarchical structuring, e.g., in the PbTe–SrTe system. However, there are two roadblocks to this strategy: poor solubility and occurrence of incoherent nanoprecipitates in the PbTe matrix, e.g., the PbTe–BaTe system. Here we demonstrate a dual alloying approach by simultaneously alloying CaTe and BaTe in the p-type PbTe matrix to achieve ZTmax ranging up to ∼2.2 at high temperatures. Synergistic enhancement of the Seebeck coefficient via favorable band convergence gives rise to higher power factors up to 34 μW cm–1 K–2 and significant suppression of lattice thermal conductivity, κL, down to ∼0.6 W m–1 K–1 results from large multicenter phonon scattering. Additionally, co-inclusion of Ca and Ba causes unanticipated lattice hardening in otherwise brittle PbTe, essential for practical device applications.
Enantioselective Synthesis of the Optically Active α‐Methylene‐β‐hydroxy Esters, Equivalent Compounds to Morita—Baylis—Hillman Adducts, Using Successive Asymmetric Aldol Reaction and Oxidative Deselenization. (2006)

Abstract For Abstract see ChemInform Abstract in Full Text.
Separated Flow and Boundary Layer Research. (1980)

The two-dimensional corner study provides a unique framework bridging attached to separated flows. It only needs the measurements of local heat transfer and flowfield fluctuating measurements to be a complete description of an important shock wave boundary layer configuration. The study of a two-dimensional reattaching free shear layer has provided a unique series of measurements, including the first turbulence data, at one flow condition and geometry. Reynolds number and geometry effects have yet to be studied, but the physics of reattachment have been explored in a way not heretofore examined. The investigation of three-dimensional shock wave turbulent boundary layer interactions, specifically of the swept wedge, provides new insights into these complex flows with strong lateral gradients. The studies have revealed many new elements, but 'separation' and 'reattachment' take on new meanings which have yet to be clarified. Hypersonic turbulent boundary layers have been found to have very complex structures with very wide density variations and orders of magnitude unit Reynolds number changes across the layers. Highly viscous, laminar sublayers, are bounded by turbulent layers in which fluctuations of 50% are experienced. Many of the results of the present studies were used to test, validate, and guide major efforts in computational fluid dynamics. To date, the computations adequately describe attached flows, but do not capture the details of separated flows, although general characteristics of the flow field are predicted. The results of computations, sensitivity analysis, and testing of various models (turbulence) were important guides for the experimental studies.
Methamphetamine use is an independent predictor of poor outcome after aneurysmal subarachnoid hemorrhage (2014)

Methamphetamine users have significantly worse outcomes at 1 and 3 years following aSAH. Further analysis is necessary to understand the pathological response associated with methamphetamine use in this setting.
User group selection scheme for lattice-reduction-aided precoder in MIMO broadcast systems (2010)

In multiple-input multiple-output (MIMO) broadcast channel, the lattice-reduction-aided (LRA) precoder is the modified zero-forcing beamforming (ZFBF) scheme which perturbs data symbols to reduce the transmit power. In this paper, we propose the optimal user group selection (UGS) scheme for the LRA-precoder to maximize the sum-rate in MIMO broadcast systems. We derive the approximated sum-rate of the LRA-precoder and the optimal UGS scheme. We also propose a suboptimal UGS scheme which requires low-complexity. From the simulation results, we show that the sum-rate of the proposed LRA-precoder with the optimal UGS scheme outperforms that of the conventional ZFBF with its optimal UGS scheme, especially when the number of users is small. In addition, we also show that the proposed LRA-precoder with the suboptimal UGS scheme has a considerably larger sum-rate than the conventional ZFBF with its suboptimal scheme, especially when the transmit correlation exists.
Parametrization of molecular mechanics calculations for the accurate description of hydrogen-bonding interactions (1990)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTParametrization of molecular mechanics calculations for the accurate description of hydrogen-bonding interactionsJames R. Damewood, Robert A. Kumpf, Wolfgang C. F. Muhlbauer, Joseph J. Urban, and John E. EksterowiczCite this: J. Phys. Chem. 1990, 94, 17, 6619–6626Publication Date (Print):August 1, 1990Publication History Published online1 May 2002Published inissue 1 August 1990https://pubs.acs.org/doi/10.1021/j100380a019https://doi.org/10.1021/j100380a019research-articleACS PublicationsRequest reuse permissionsArticle Views116Altmetric-Citations10LEARN 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 optionsSupporting Info (1)»Supporting Information Supporting Information Get e-Alerts
Catheter ablation of accessory pathways with a direct approach. Results in 35 patients. (1988)

Thirty-five consecutive patients with an overt accessory pathway, all but two suffering from arrhythmia (atrial fibrillation, reciprocating tachycardia, or both), underwent attempted transcatheter ablation (fulguration) of their accessory pathway. Thirty-three patients had been treated with a mean of 2.3 +/- 1.4 antiarrhythmic drugs. A standard bipolar catheter was positioned on the internal surface of the right or left atrioventricular anulus with 1) a subclavian approach of the right cardiac cavities in 29 patients with right-sided accessory pathway (n = 27) or left posteroseptal accessory pathway (n = 2), 2) a patent foramen ovale in five patients (two with a left posterolateral accessory pathway and three with a left parietal accessory pathway), and a transseptal catheterism (one patient with a left parietal accessory pathway). Cathodic shocks (mean, 4.3 shocks/patient) with a mean cumulative energy of 690 J enabled the ablation (disappearance of both anterograde and retrograde conduction) of the accessory pathway in 32 patients with a follow-up ranging from 1 to 32 months (mean, 10 +/- 8 months). Two of the remaining three accessory pathways were impaired: one pathway became intermittent, the anterograde effective refractory period of the second pathway increased from 260 to 410 msec, and the third pathway was slightly impaired. This latter patient is the only one who still requires therapy, with a single antiarrhythmic drug. All others are free of arrhythmias and require no therapy. Not using coronary sinus catheterism inclusive of its os has led to only a few, benign side effects. Only one third-degree atrioventricular block occurred in a posteroseptal accessory pathway ablation. Three cases of patients with incessant reciprocating tachycardia involving a further successful ablation occurred at the beginning of our experience. The best area for ablation is, in our opinion, the recording site for the Kent-bundle activity (18 of 35 patients), but a meticulous mapping of the atrioventricular anulus during orthodromic reciprocating tachycardia makes ablation possible when the shortest ventriculoatrial time (V-A') can be recorded with reliability (mean, 85 +/- 18 msec). Such a procedure is an alternative to surgical ablation regardless of the location of the accessory pathway--not only posteroseptally.