gebhart/patrepeval huggingface dataset:
ChemInform Abstract: Copper‐Mediated Amidation of Heterocyclic and Aromatic C—H Bonds. (2010)

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.
Topology, skyrmions, and Heusler compounds (2022)

Abstract Topology is a topic of considerable interest in materials science. In magnetic materials, the Berry curvature in real and reciprocal space leads to new topological objects that include, for example, skyrmions and Weyl fermions. Heusler compounds, a particularly interesting family of compounds, are highly tunable materials with diverse topological electronic and magnetic textures. Tuning their elemental components, composition, and symmetry allows for the stabilization of a wide range of magnetic structures and magnetic crystalline anisotropies. In Heusler compounds, several types of skyrmion textures have been observed, which include antiskyrmions that are perhaps the most complex of these spin textures and, consequently, have unique properties that make them particularly attractive, as well as Bloch skyrmions. Skyrmions have the potential to be used as magnetic bits in high-density storage devices such as racetrack memories as well as for neuromorphic computing systems that go beyond Moore’s Law. Graphical abstract
Silylated quaternary ammonium salts – ionic liquids with hydrophobic cations (2014)

Another class of ionic liquids was obtained by a combination of bis(perfluoroalkylsulfonyl)amide anions and O-silylated choline like cations. The protection of the hydrophilic hydroxyl group of hydroxyalkyl substituted quaternary ammonium salts with a trialkylsilyl group changes cations' properties from hydrophilic to hydrophobic; both constituents (cations and anions) of resulting ionic liquids have a hydrophobic character. Their essential physical and chemical properties were investigated. Moderate viscosity and conductivity of ionic liquids follow the Vogel-Tammann-Fulcher model of their dependency on the temperature. All ionic liquids show similar electrochemical stability as anticipated from CV measurements. The cathodic stability for most compounds is below 0 V vs. Li/Li+, and anodic decomposition starts typically over more than 5 V vs. Li/Li+. These properties suggest that these ionic liquids have potential for the preparation of electrolytes for high voltage lithium batteries.
Hydroxytyrosol (HT) analogues act as potent antifungals by direct disruption of the fungal cell membrane (2018)

Fungal infections constitute an emerging threat and a prevalent health problem due to increasing number of immunocompromised people and pharmacological or other treatments aiming at viral infections, cancer or allergies. Currently used antifungals suffer from inefficiency, toxic side effects and developing drug-resistance. Additionally, over the last two decades no new classes of antifungals have been approved, emphasizing the urgent need for developing a novel generation of antifungals. Here we investigate the antifungal activity of a series of chemically synthesized Hydroxytyrosol (HT) analogues. HT is one of the major phenolic compounds in olive oil, shown to possess radical-scavenging antioxidant, antiproliferative, proapoptotic and anti-inflammatory activities. No previous report has studied HT analogues as antifungals. We show that specific analogues have broad and strong antifungal activity, significantly stronger than the parent compound HT. Using A. nidulans as an in vivo cellular model system, we show that antifungal HT analogues have an unprecedented efficiency in fungal plasma membrane destruction. Importantly, antifungal HT analogues did not show toxicity in a mammalian cell line, whereas no resistance to HT analogues was obtained by standard mutagenesis. Our results open the way for the development of a novel, efficient and safer class of antifungals.
Predicting solar generation from weather forecasts using machine learning (2011)

A key goal of smart grid initiatives is significantly increasing the fraction of grid energy contributed by renewables. One challenge with integrating renewables into the grid is that their power generation is intermittent and uncontrollable. Thus, predicting future renewable generation is important, since the grid must dispatch generators to satisfy demand as generation varies. While manually developing sophisticated prediction models may be feasible for large-scale solar farms, developing them for distributed generation at millions of homes throughout the grid is a challenging problem. To address the problem, in this paper, we explore automatically creating site-specific prediction models for solar power generation from National Weather Service (NWS) weather forecasts using machine learning techniques. We compare multiple regression techniques for generating prediction models, including linear least squares and support vector machines using multiple kernel functions. We evaluate the accuracy of each model using historical NWS forecasts and solar intensity readings from a weather station deployment for nearly a year. Our results show that SVM-based prediction models built using seven distinct weather forecast metrics are 27% more accurate for our site than existing forecast-based models.
Direct Characterization of Enzyme–Substrate Complexes by Using Electrosonic Spray Ionization Mass Spectrometry (2004)

It's a phase it's going through: Electrosonic spray ionization shows better desolvation efficiency than electrospray ionization and usually gives single-charge states when used to ionize noncovalent complexes of large biomolecules. The binary and ternary complexes of imidazole-3-glycerol phosphate synthase (IGPS) with its inhibitors appear to retain their native solution-phase conformations upon transfer into the gas phase (see picture).
Deploying diffserv at the network edge for tight slas, part I (2004)

In the first of a two-part series, we review industry best practices for designing, validating, deploying, and operating IP-based services at the network edge with tight service-level agreements (SLAs). We describe the important SLA metrics for IP service performance and discuss why Diffserv is the preferred technology to achieve these SLAs.
Optimal Approach to Scaling of the NEMS for Low Stand-by CMOS Applications (2020)

We report here for the first time, a simple novel scaling approach is proposed to achieve low pull-in voltage (V <inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">pi</inf> ), delay (t <inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">delay</inf> ), energy (U) and mechanical stress (σ) in the NEMS analogous to MOSFETs dimensional scaling. The study provides an efficient design methodology to achieve user specified percentage improvement of a specifically targeted parameter (V <inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">pi,</inf> t <inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">delay,</inf> U or σ) with the improvement in other target parameters. The approach is validated with reported experimental data and simulations.
In Situ Small Angle Neutron Scattering Revealing Ion Sorption in Microporous Carbon Electrical Double Layer Capacitors (2014)

Experimental studies showed the impact of the electrolyte solvents on both the ion transport and the specific capacitance of microporous carbons. However, the related structure-property relationships remain largely unclear and the reported results are inconsistent. The details of the interactions of the charged carbon pore walls with electrolyte ions and solvent molecules at a subnanometer scale are still largely unknown. Here for the first time we utilize in situ small angle neutron scattering (SANS) to reveal the electroadsorption of organic electrolyte ions in carbon pores of different sizes. A 1 M solution of tetraethylammonium tetrafluoroborate (TEATFB) salt in deuterated acetonitrile (d-AN) was used in an activated carbon with the pore size distribution similar to that of the carbons used in commercial double layer capacitors. In spite of the incomplete wetting of the smallest carbon pores by the d-AN, we observed enhanced ion sorption in subnanometer pores under the applied potential. Such results suggest the visible impact of electrowetting phenomena counterbalancing the high energy of the carbon/electrolyte interface in small pores. This behavior may explain the characteristic butterfly wing shape of the cyclic voltammetry curve that demonstrates higher specific capacitance at higher applied potentials, when the smallest pores become more accessible to electrolyte. Our study outlines a general methodology for studying various organic salts-solvent-carbon combinations.
A next-generation in-situ nanoprobe beamline for the Advanced Photon Source (2013)

The Advanced Photon Source is currently developing a suite of new hard x-ray beamlines, aimed primarily at the study of materials and devices under real conditions.One of the flagship beamlines of the APS Upgrade is the In-Situ Nanoprobe beamline (ISN beamline), which will provide in-situ and operando characterization of advanced energy materials and devices under change of temperature and gases, under applied fields, in 3D.The ISN beamline is designed to deliver spatially coherent x-rays with photon energies between 4 keV and 30 keV to the ISN instrument.As an x-ray source, a revolver-type undulator with two interchangeable magnetic structures, optimized to provide high brilliance throughout the range of photon energies of 4 keV -30 keV, will be used.The ISN instrument will provide a smallest hard x-ray spot of 20 nm using diffractive optics, with sensitivity to sub-10 nm sample structures using coherent diffraction.Using nanofocusing mirrors in Kirkpatrick-Baez geometry, the ISN will also provide a focus of 50 nm with a flux of 8•10 11 Photons/s at a photon energy of 10 keV, several orders of magnitude larger than what is currently available.This will allow imaging of trace amounts of most elements in the periodic table, with a sensitivity to well below 100 atoms for most metals in thin samples.It will also enable nanospectroscopic studies of the chemical state of most materials relevant to energy science.The ISN beamline will be primarily used to study inorganic and organic photovoltaic systems, advanced batteries and fuel cells, nanoelectronics devices, and materials and systems designed to reduce the environmental impact of combustion.
Lack of Awareness amongst Community Patients with Diabetes and Diabetic Retinopathy: The Singapore Malay Eye Study (2009)

In a sample of Malays with diabetes, high proportions were unaware of their disease. Unawareness was associated with poorer control of diabetic retinopathy risk factors. Only half of persons who were unaware that they had vision-threatening diabetic retinopathy had received laser treatment. These data highlight room for improvement in diabetic retinopathy prevention through better patient education and screening.
Development of a multivariable gene-expression signature targeting T-cell-mediated rejection in peripheral blood of kidney transplant recipients validated in cross-sectional and longitudinal samples (2019)

Molecular marker alterations in blood emerge well ahead of the time of clinically overt TCMR. Monitoring a TCMR-signature in peripheral blood could unravel T-cell-related pro-inflammatory activity and hidden immunological processes. This additional information could support clinical management decisions in cases of patients with stable but poor kidney function or with inconclusive biopsy results.
Is model-based optical proximity correction ready for manufacturing? Study on 0.12- and 0.175-μm DRAM technology (2002)

Two full-chip OPC approaches, a traditional rule-based approach and a more recent model-based approach are compared on DRAM applications using both ArF and KrF lithography, with off-axis illumination and phase shift masks. The similarities and differences between these two OPC approaches are compared in detail with selected one- and two-dimensional layout situations. Our results from the model-based approach show good line width control for one- dimensional structures and improved line-end printing for two-dimensional structures; however, results also show severe process window limitations for some layouts. The cause of the process window limitations with the model-based approach are discussed. To address the process window limitations in the model-based approach, a rule-based pre- correction was used to ensure adequate process window at deviated dose and focus conditions. With pre-correction combined with the model-based approach, our wafer data shows good correction quality and process window.
A Simple Optimization Model for Wireless Opportunistic Routing with Intra-Session Network Coding (2010)

In this paper, we consider the optimization of multi-path opportunistic routing and congestion control in wireless mesh networks with intra-session network coding. We model this as a network utility maximization problem and we design a simple distributed solution that can be obtained by solving the dual problem. This formulation provides useful insight into the complex cross-layer interaction between intra-session network coding, multi-path routing and transport layer and a mathematical foundation for protocol design in this scenario.
Naringenin up‐regulates the expression of death receptor 5 and enhances TRAIL‐induced apoptosis in human lung cancer A549 cells (2010)

Our results indicate that treatment with a combination of TRAIL and naringenin may be a safe strategy for treatment of resistant NSCLC.
Modélisation de Scènes Naturelles à Partir de Séquences Vidéos Multi-vue plus Profondeur (MVD) (2012)

National audience
VEGFC Reduces Glomerular Albumin Permeability and Protects Against Alterations in VEGF Receptor Expression in Diabetic Nephropathy (2018)

Elevated levels of vascular endothelial growth factor (VEGF) A are thought to cause glomerular endothelial cell (GEnC) dysfunction and albuminuria in diabetic nephropathy. We hypothesized that VEGFC could counteract these effects of VEGFA to protect the glomerular filtration barrier and reduce albuminuria. Isolated glomeruli were stimulated ex vivo with VEGFC, which reduced VEGFA- and type 2 diabetes-induced glomerular albumin solute permeability (Ps'alb). VEGFC had no detrimental effect on glomerular function in vivo when overexpression was induced locally in podocytes (podVEGFC) in otherwise healthy mice. Further, these mice had reduced glomerular VEGFA mRNA expression, yet increased glomerular VEGF receptor heterodimerization, indicating differential signaling by VEGFC. In a model of type 1 diabetes, the induction of podVEGFC overexpression reduced the development of hypertrophy, albuminuria, loss of GEnC fenestrations and protected against altered VEGF receptor expression. In addition, VEGFC protected against raised Ps'alb by endothelial glycocalyx disruption in glomeruli. In summary, VEGFC reduced the development of diabetic nephropathy, prevented VEGF receptor alterations in the diabetic glomerulus, and promoted both glomerular protection and endothelial barrier function. These important findings highlight a novel pathway for future investigation in the treatment of diabetic nephropathy.
Value of General Acid-Base Catalysis to Ribonuclease A (1994)

Bovine pancreatic ribonuclease A (RNase A) is a much studied enzyme that efficiently catalyzes the cleavage of RNA. The active site of RNase A contains two histidine residues with imidazole groups positioned to act as a general base (H12) and a general acid (H119) during catalysis of RNA cleavage. Recombinant DNA techniques were used to produce mutant enzymes in which either H12 or H119 was replaced with an alanine residue. Each mutation resulted in a 10(4)-fold decrease in the value of k(cat)/K(m) for cleaving either poly(C) or UpA. Thus, H12 and H119 each lower by 5–6 kcal/mol the free energy of the rate-limiting transition state during RNA cleavage. The value of k(cat)/K(m) for cleavage of UpOC(6)H(4)-p-NO(2) was decreased by 10(4)-fold by replacing H12 but was unaffected by replacing H119. This result provides the first direct evidence that H119 acts as a general acid during catalysis by RNase A.
Dynamic Resource Sharing for C-RANs with Joint Orchestration of Radio and Transport (2016)

We present a resource allocation strategy for centralized radio access network architectures able to adapt to the wireless network capacity requirements. Both simulation and emulation results show that it is possible to reuse up to 33.3% of the transport resources.
Capsule anchoring in Bacillus anthracis occurs by a transpeptidation reaction that is inhibited by capsidin (2008)

Bacillus anthracis, the causative agent of anthrax, is a dangerous biological weapon, as spores derived from drug-resistant strains cause infections for which antibiotic therapy is no longer effective. We sought to develop an anti-infective therapy for anthrax and targeted CapD, an enzyme that cleaves poly-gamma-D-glutamate capsule and generates amide bonds with peptidoglycan cross-bridges to deposit capsular material into the envelope of B. anthracis. In agreement with the model that capsule confers protection from phagocytic clearance, B. anthracis capD variants failed to deposit capsule into the envelope and displayed defects in anthrax pathogenesis. By screening chemical libraries, we identified the CapD inhibitor capsidin, 4-[(4-bromophenyl)thio]-3-(diacetylamino)benzoic acid), which covalently modifies the active-site threonine of the transpeptidase. Capsidin treatment blocked capsular assembly by B. anthracis and enabled phagocytic killing of non-encapsulated vegetative forms.
Ceramic materials for high power solid state lasers (2012)

We highlight our recent progress in achieving high efficiency solid state laser materials based on hot pressed Lu<sub>2</sub>O<sub>3</sub>. Experimental details to further enhance the lasing performance from sesquioxide-based ceramic lasers are presented. Synthesis of high purity rare-earth doped sesquioxide ceramic powder primarily based on Lu<sub>2</sub>O<sub>3</sub> for high energy solid state lasers is discussed. We also report the effect of the powder quality and fabrication process on the optical quality and lasing performance of these ceramics. Various methods to obtain fine grained ceramics which are desirable for scaling to high power lasers are also presented.
Sub-10-nm patterning process using directed self-assembly with high χ block copolymers (2015)

The perpendicularly orientated lamellar structure of the self-organized diblock copolymer is an attractive template for sub-10-nm line-and-space pattern formation. We propose a method of evaluating the neutral layer (NL) whose performance has an important bearing on the perpendicular orientation of the lamellar structure. The random copolymer of methyl methacrylate and i-butyl POSS methacrylate (MAIBPOSS) has been investigated as an NL for a polymethylmethacrylate-b-polymethacrylethylPOSS (PMMA-b-PMAIBPOSS) lamellar structure. PMMA-b-PMAIBPOSS material has the potential to form sub-10 nm line-and-space pattern, in addition to high etch selectivity due to its POSS structure. Under the free surface, PMMA-b-PMAIBPOSS film on the random copolymer layer showed horizontal orientation. However, a half-pitch of a 7-nm finger pattern structure was observed by peeling off the horizontally oriented layer. The upper portion of the PMMA-b-PMAIBPOSS film was eliminated till proximity of the random copolymer layer by CF4 gas etching. From the result, it was revealed that the PMMA-r-PMAIBPOSS works as an NL. It was confirmed that the contact angle analysis using an appropriate polymer is a suitable method for evaluation of the surface energy performance of the copolymer with the attribute of high segregation energy.
A reference list of organic structures whose absolute configurations have been determined by X-ray methods. Part 2 (1968)

F. H. Allen, S. Neidle and D. Rogers, Chem. Commun. (London), 1968, 308 DOI: 10.1039/C19680000308
Influence of Environment on the Measurement of Rates of Charge Transport across AgTS/SAM//Ga2O3/EGaIn Junctions (2014)

This paper investigates the influence of the atmosphere used in the fabrication of top electrodes from the liquid eutectic of gallium and indium (EGaIn) (the so-called “EGaIn” electrodes), and in measurements of current density, J(V) (A/cm2), across self-assembled monolayers (SAMs) incorporated into Ag/SR//Ga2O3/EGaIn junctions, on values of J(V) obtained using these electrodes. A gas-tight measurement chamber was used to control the atmosphere in which the electrodes were formed, and also to control the environment in which the electrodes were used to measure current densities across SAM-based junctions. Seven different atmospheres—air, oxygen, nitrogen, argon, and ammonia, as well as air containing vapors of acetic acid or water—were surveyed using both “rough” conical-tip electrodes, and “smooth” hanging-drop electrodes. (The manipulation of the oxide film during the creation of the conical-tip electrodes leads to substantial, micrometer-scale roughness on the surface of the electrode, the extrusion of the drop creates a significantly smoother surface.) Comparing junctions using both geometries for the electrodes, across a SAM of n-dodecanethiol, in air, gave log |J|mean = −2.4 ± 0.4 for the conical tip, and log |J|mean = −0.6 ± 0.3 for the drop electrode (and, thus, Δlog |J| ≈ 1.8); this increase in current density is attributed to a change in the effective electrical contact area of the junction. To establish the influence of the resistivity of the Ga2O3 film on values of J(V), junctions comprising a graphite electrode and a hanging-drop electrode were compared in an experiment where the electrodes did, and did not, have a surface oxide film; the presence of the oxide did not influence measurements of log |J(V)|, and therefore did not contribute to the electrical resistance of the electrode. However, the presence of an oxide film did improve the stability of junctions and increase the yield of working electrodes from ∼70% to ∼100%. Increasing the relative humidity (RH) in which J(V) was measured did not influence these values (across methyl (CH3)- or carboxyl (CO2H)-terminated SAMs) over the range typically encountered in the laboratory (20%–60% (RH)).