gebhart/patrepeval huggingface dataset:
Investigating the factors that influence sacrificial hydrogen evolution activity for three structurally-related molecular photocatalysts: thermodynamic driving force, excited-state dynamics, and surface interaction with cocatalysts (2023)

The design of molecular organic photocatalysts for reactions such as water splitting requires consideration of factors that go beyond electronic band gap and thermodynamic driving forces. Here, we carried out a theoretical investigation of three molecular photocatalysts (1-3) that are structurally similar but that show different hydrogen evolution activities (25, 23 & 0 μmol h<sup>-1</sup> for 1-3, respectively). We used density functional theory (DFT) and time-dependent DFT calculations to evaluate the molecules' optoelectronic properties, such as ionization potential, electron affinity, and exciton potentials, as well as the interaction between the molecular photocatalysts and an idealized platinum cocatalyst surface. The 'static' picture thus obtained was augmented by probing the nonadiabatic dynamics of the molecules beyond the Born-Oppenheimer approximation, revealing a different picture of exciton recombination and relaxation for molecule 3. Our results suggest that slow exciton recombination, fast relaxation to the lowest-energy excited state, and a shorter charge transfer distance between the photocatalyst and the metal cocatalyst are important features that contribute to the photocatalytic hydrogen evolution activity of 1 and 2, and may partly rationalize the observed inactivity of 3, in addition to its lower light absorption profile.
Array Antenna Gain Enhancement With the Poynting Streamline Method (2019)

Streamlines of the Poynting vector field connect antenna figures of merit with the energy flow characteristics near a receiving antenna. Poynting streamlines properties and absorption aperture of antenna under different load conditions have been studied in this letter. Based on its Poynting streamline characteristics, the short-circuit dipole can be used as a parasitic element to direct the flow of energy, increase the absorption aperture, and enhance the gain of the array. Numerical examples show that this strategy can not only enhance the gain of dipole array, but also improve the gain of circularly polarized antenna array without deteriorating the axial ratio. Poynting streamline-based methods augment commonly used radiation-mode antenna analysis techniques by providing an intuitive and visual way to guide the design of antenna arrays.
Compressed Sensing With Approximate Message Passing Using In-Memory Computing (2018)

In-memory computing is a promising non-von Neumann approach where certain computational tasks are performed within resistive memory units by exploiting their physical attributes. In this paper, we propose a new method for fast and robust compressed sensing (CS) of sparse signals with approximate message passing recovery using in-memory computing. The measurement matrix for CS is encoded in the conductance states of resistive memory devices organized in a crossbar array. In this way, the matrix-vector multiplications associated with both the compression and recovery tasks can be performed by the same crossbar array without intermediate data movements at potential O(1) time complexity. For a signal of size N, the proposed method achieves a potential O(N)-fold recovery complexity reduction compared with a standard software approach. We show the array-level robustness of the scheme through large-scale experimental demonstrations using more than 256k phase-change memory devices.
An alternative form of the integrin beta 1 subunit with a variant cytoplasmic domain. (1992)

We have identified an alternatively spliced form of the human beta 1 integrin subunit, beta 1S. The beta 1S mRNA is expressed in human platelets, HEL and K562 erythroleukemia cell lines, and THP1 monocytic and HL60 promyelocytic cell lines. It is undetectable in peripheral blood lymphocytes and cultured umbilical vein endothelial cells at early passages. The beta 1S cDNA encodes a new cytoplasmic domain distinct from the previously reported alternative cytoplasmic domain of the beta 1 subunit. The sequence reveals the presence of an insert of 116 nucleotides which produces a frame shift in the previously reported 3' end of the beta 1 integrin subunit and codes for a unique 48-amino acid COOH-terminal sequence. An antiserum prepared against a synthetic peptide generated from the deduced sequence of the beta 1S cytoplasmic domain immunoprecipitated an HEL cell surface molecule that comigrated with the usual beta 1 subunit in sodium dodecyl sulfate electrophoresis. The immunoprecipitation indicated that beta 1S constitutes a minor portion of total beta 1 subunit in these cells. This variant beta 1 cytoplasmic tail may modulate integrin affinity and may provide additional modes for the transduction of extracellular signals and modulation of cytoskeletal organization by beta 1 integrins.
Cognitive Enhancers (Nootropics). Part 3: Drugs Interacting with Targets other than Receptors or Enzymes. Disease-Modifying Drugs. Update 2014 (2014)

Scientists working in the field of Alzheimer's disease and, in particular, cognitive enhancers, are very productive. The review “Drugs interacting with Targets other than Receptors or Enzymes. Disease-modifying Drugs” was accepted in October 2012. In the last 20 months, new targets for the potential treatment of Alzheimer's disease were identified. Enormous progress was realized in the pharmacological characterization of natural products with cognitive enhancing properties. This review covers the evolution of research in this field through May 2014.
Textured and Tungsten-bronze-niobate-doped (K,Na,Li)(Nb,Ta)O3 Piezoceramic Materials (2010)

In this study, the effects of an alkaline-earth niobate doping in tungsten-bronze (TB) stochiometry on the piezoelectric properties and the phase transition temperatures of lead-free (K,Na,Li)(Nb,Ta)O-3 ceramics were investigated. In particular, the TB compounds barium niobate (BN), barium sodium niobate (BNN) and strontium calcium sodium niobate (SCNN) were investigated. The TB-modified ceramics show promising piezoelectric properties with large-signal piezo coefficients, d(33)*, close to 400 pm/V, planar coupling coefficients, k(p), up to 0.45 and Curie temperatures of approximately 310 degrees C. In addition, the effect of texturing on the undoped (K,Na,Li)(Nb,Ta)O-3 base composition via templated grain growth (TGG) with microcrystalline NaNbO3 templates was examined. Lotgering factors up to 81% and strain enhancements by a factor 1.5 with large-signal values of d(33)* up to 550 pm/V could be achieved in the textured samples.
Suspected Interstitial Lung Disease in COPDGene Study (2022)

<b>Rationale:</b> Although interstitial lung abnormalities (ILA), specific patterns of incidentally-detected abnormal density on computed tomography, have been associated with abnormal lung function and increased mortality, it is unclear if a subset with incidental interstitial lung disease (ILD) accounts for these adverse consequences. <b>Objectives:</b> To define the prevalence and risk factors of suspected ILD and assess outcomes. <b>Methods:</b> Suspected ILD was evaluated in the COPDGene (Chronic Obstructive Pulmonary Disease Genetic Epidemiology) study, defined as ILA and at least one additional criterion: definite fibrosis on computed tomography, FVC less than 80% predicted, or DL<sub>CO</sub> less than 70% predicted. Multivariable linear, longitudinal, and Cox proportional hazards regression models were used to assess associations with St. George's Respiratory Questionnaire, 6-minute-walk test, supplemental oxygen use, respiratory exacerbations, and mortality. <b>Measurements and Main Results:</b> Of 4,361 participants with available data, 239 (5%) had evidence for suspected ILD, whereas 204 (5%) had ILA without suspected ILD. In multivariable analyses, suspected ILD was associated with increased St. George's Respiratory Questionnaire score (mean difference [MD], 3.9 points; 95% confidence interval [CI], 0.6-7.1; <i>P</i> = 0.02), reduced 6-minute-walk test (MD, -35 m; 95% CI, -56 m to -13 m; <i>P</i> = 0.002), greater supplemental oxygen use (odds ratio [OR], 2.3; 95% CI, 1.1-5.1; <i>P</i> = 0.03) and severe respiratory exacerbations (OR, 2.9; 95% CI, 1.1-7.5; <i>P</i> = 0.03), and higher mortality (hazard ratio, 2.4; 95% CI, 1.2-4.6; <i>P</i> = 0.01) compared with ILA without suspected ILD. Risk factors associated with suspected ILD included self-identified Black race (OR, 2.0; 95% CI, 1.1-3.3; <i>P</i> = 0.01) and pack-years smoking history (OR, 1.2; 95% CI, 1.1-1.3; <i>P</i> = 0.0005). <b>Conclusions:</b> Suspected ILD is present in half of those with ILA in COPDGene and is associated with exercise decrements and increased symptoms, supplemental oxygen use, severe respiratory exacerbations, and mortality.
Recent approaches to the treatment of urinary incontinence: a survey of patent activity from 1995 to 1998 (1998)

In its broadest sense, urinary incontinence (UI) is defined as involuntary loss of urine to such an extent as to become a hygienic or social concern to the patient [1]. Up to 50% of patients suffering from this disorder do not seek medical attention due to embarrassment or their willingness to accept the condition as a ‘normal’ course of ageing. Thus, incontinence often goes undiagnosed and untreated, and, in serious cases, may exact a staggering toll on the self-esteem and social and psychological outlook of those it affects. UI is usually classified into four types: stress, urge, overflow and functional. The first three types of UI refer to dysfunctions in either urine storage or urine emptying, while the latter occurs in patients with a relatively normal lower urinary tract, but who, nevertheless, suffer from severe cognitive impairment or immobility that precludes normal voiding behaviour. Much of the currently available pharmacological intervention includes the use of antimuscarinics/spasmolytics for the treatment of urinary urgency and sympathomimetics for the treatment of stress incontinence. Corrective measures could also involve behaviour modification, pelvic exercise or surgery. Due to significant, intolerable side-effects and/or limited efficacy associated with the current pharmacological approaches to UI treatment, patient compliance is low, resulting in a considerable unmet medical need for a new generation of more useful compounds. This comprehensive review examines the most recent claims for novel treatments of various forms of UI. Traditional approaches along the lines of novel antimuscarinics or novel formulations of currently used antimuscarinics are well represented. Importantly however, several new classes of agents with fewer side-effects have appeared which, if clinically successful, may represent an exciting new frontier in the treatment of UI.
α-Iminocarboxamidato Nickel Complexes (2009)

Polyolefins constitute a vast class of macromolecules that range from everyday plastics to sophisticated materials used as hip-replacement joints and in bulletproof vests. By tailoring the molecular structure of the backbone, researchers can tune the bulk properties of these materials for specific product applications. Transition-metal complexes that mediate the polymerization of ethylene, 1-alkenes, and related monomers provide an important tool for industrial preparation. Although commercially viable options exist for large-scale manufacturing, it is not possible to achieve all desirable polymer targets using these methods. For example, the copolymerization of ethylene with co-monomers bearing polar functionalities under living conditions, where there is high activity and minimum chain transfer and termination, is not available at this scale. Also, given the magnitude of polyolefin production, we anticipate a need to more efficiently manage chemical resources. For these reasons, new metal/catalyst combinations and methods for their applications continue to be an active area of research in both academic and industrial laboratories. This Account focuses on the chemistry of alpha-iminocarboxamidato complexes of nickel carried out in our laboratories. Such complexes can serve as precursors to zwitterionic or neutral active species, depending upon the mode of activation. We have successfully applied the zwitterionic systems in the tandem action of multiple active sites to yield branched polyethylene from ethylene alone; a coordinated effort of catalysts that is reminiscent of metabolic pathways. These polymerizations show many of the characteristics of living polymerizations. The neutral initiators allow for the controlled preparation of copolymers containing ethylene and functionalized co-monomers and can be used to access higher order polymer architectures, such as block, tapered, and pseudo-tetrablock copolymers. Many of these polymers are not readily available using other catalytic methods. In this Account, we first provide a historical narrative of developments leading to ligands derived from the alpha-iminocarboxamide framework. Second, we explore how structural variations of this ligand system are readily obtained and how they can be used to provide insight into the mechanism of activation and for controlling polymerization reactions. We conclude by describing emerging applications, particularly in the area of graft copolymers.
Melting Proteins: Evidence for Multiple Stable Structures upon Thermal Denaturation of Native Ubiquitin from Ion Mobility Spectrometry-Mass Spectrometry Measurements (2017)

Ion mobility and mass spectrometry techniques are coupled with a temperature-controlled electrospray ionization source to follow the structural transitions of ubiquitin in aqueous solution (pH = 3) at elevated solution temperatures (T = 26-96 °C). Changes in the charge state distribution are consistent with a two-state, cooperative unfolding transition having a melting temperature of T<sub>m</sub> = 71 ± 2 °C, in agreement with prior measurements [ Wintrode , P. L. ; Makhatadze , G. I. ; Privalov , P. L. Proteins , 1994 , 18 , 246 - 253 ]. However, analysis of ion mobility distributions reveals the two-state transition is a composite of transitions involving at least nine unique species: three native or native-like structures; two that appear to be equilibrium intermediates (i.e., populations of new conformers that form at elevated temperatures but subsequently disappear at higher temperatures); and four products observed at high temperatures, including the well-characterized ubiquitin A state, and two solution species that are differentiated based on a cis- or trans-configured Glu<sup>18</sup>-Pro<sup>19</sup> peptide bond. These nine states vary in abundances by factors as large as ∼10<sup>3</sup> over the range of solution temperatures. Although experimental melting transitions are conceived as a loss of well-defined structure leading to a random distribution of unstructured, denatured forms, the results provide evidence for new conformers having at least some well-defined structural elements are stabilized as temperature is increased.
STUDY OF A NEW METHOD TO COMPUTE THE PERFORMANCE CURVE OF REAL STRUCTURES WITH ACCELERATION SENSORS (2013)

This paper shows a new method of the double integral with Wavelet Transformation to compute the response displacement of the building from the measured acceleration. This method provides the performance curve of the building that suffered an earthquake and enables us to judge the damage of the building quickly after the earthquake. We discussed the usefulness of this new method through the past experimental data of the shaking table test of R/C columns in this paper.
Benefits to Plant Health and Productivity From Enhancing Plant Microbial Symbionts (2021)

Plants exist in close association with uncountable numbers of microorganisms around, on, and within them. Some of these endophytically colonize plant roots. The colonization of roots by certain symbiotic strains of plant-associated bacteria and fungi results in these plants performing better than plants whose roots are colonized by only the wild populations of microbes. We consider here crop plants whose roots are inhabited by introduced organisms, referring to them as Enhanced Plant Holobionts (EPHs). EPHs frequently exhibit resistance to specific plant diseases and pests (biotic stresses); resistance to abiotic stresses such as drought, cold, salinity, and flooding; enhanced nutrient acquisition and nutrient use efficiency; increased photosynthetic capability; and enhanced ability to maintain efficient internal cellular functioning. The microbes described here generate effects in part through their production of Symbiont-Associated Molecular Patterns (SAMPs) that interact with receptors in plant cell membranes. Such interaction results in the transduction of systemic signals that cause plant-wide changes in the plants' gene expression and physiology. EPH effects arise not only from plant-microbe interactions, but also from microbe-microbe interactions like competition, mycoparasitism, and antibiotic production. When root and shoot growth are enhanced as a consequence of these root endophytes, this increases the yield from EPH plants. An additional benefit from growing larger root systems and having greater photosynthetic capability is greater sequestration of atmospheric CO<sub>2</sub>. This is transferred to roots where sequestered C, through exudation or root decomposition, becomes part of the total soil carbon, which reduces global warming potential in the atmosphere. Forming EPHs requires selection and introduction of appropriate strains of microorganisms, with EPH performance affected also by the delivery and management practices.
Modeling and Control of VSC Based DC Connection for Active Stall Wind Farms to Grid (2006)

Currently, there is an increasing trend to connect large MW wind farms to the transmission system. Therefore the power system becomes more vulnerable and dependent on the wind energy production. At the same time requirements that focus on the influence of the farms on the grid stability and power quality, and on the control capabilities of wind farms have already been established. The main trends of modern wind turbines/farms are clearly the variable speed operation and a grid connection through a power electronic interface, especially using doubly-fed induction generators. Using power electronics the control capabilities of these wind turbines/farms are extended and thus the grid requirements are fulfilled. However, the traditional squirrel-cage generators based wind turbines/wind farms directly connected to the grid does not have such control capabilities. They produce maximum possible power in continuous operation and are becoming disconnected in the case of a grid fault. Moreover, these wind turbines/farms cannot regulate their production and contribute to power system stability. A DC transmission system for connection of the active stall wind farms to the grid can be a solution to these problems. Such a system has special regulating properties e.g. decoupled control of active and reactive power, continuous AC voltage regulation, variable frequency control, black-start capability, etc. This paper focuses on the modeling of such systems and proposes a control method of a voltage source converter based DC transmission system for connecting active stall wind farms to the grid.
Outlook for Dielectric/SiC Interfaces for Future Generation MOSFETs (2023)

Silicon carbide (SiC) metal-oxide semiconductor (MOS) power devices such as metal-oxide semiconductor field-effect transistors (MOSFETs) require a stable and low defect-density interface, and a high-quality dielectric, for good device performance and reliability. Notably, the interface and dielectric properties determine the threshold voltage stability, the field-effect channel mobility, and the device lifetime as limited by dielectric breakdown in both the forward on-state and reverse blocking conditions. Here we discuss the present state of SiC MOS processing and properties and point to directions for future development. Important items to address are: 1) interface passivation approaches; 2) dielectrics; 3) device design; and 4) in-depth measurements of the interface quality and reliability.
DFI Filler Cells – New Embedded Type of Test Structures for Non-Contact Detection of Electrical Defects on Product Wafers (2022)

A new type of test structures has been developed for process monitoring and defect detection on product wafers. The structures are part of PDF Solutions’ proprietary Design-for-Inspection™ (DFI) system. They electrically tested in a non-contact way using a dedicated and specially optimized e-Beam tool. They are designed to be compatible with standard cells and to be used as filler cells in standard cell-based logic designs. The paper presents the design and usage of such DFI structures as well as illustrated results collected from scanning product wafers containing embedded DFI filler cells.
A Transformer Isolated Driving Method for SiC MOSFETs with a Constant Negative Off Voltage (2021)

SiC MOSFETs have become more and more popular in recent years. Apart from its superior performance, attentions should be paid to its driving method. In this paper, an improved transformer driving circuit is proposed which can provide an almost constant negative turn-off voltage within a wide dutycycle range. Both simulation and experimental results are given to verify the effectiveness of this method.
Centrifugal fluidized combustion of coal. Quarterly report, April--June 1977 (1977)

Most of the activity dealt with the design and fabrication of equipment. The new test section for batch experiments was completed and installed and some data on minimum fluidization and bed pressure drop were obtained. The experimental results continue to be in good agreement with the theoretical model. The design of the test sections for solids feed and removal was completed and fabrication was begun; and the probes for measuring air velocities and air flow rates were calibrated.