gebhart/patrepeval huggingface dataset:
Minimal Pharmacophoric Elements and Fragment Hopping, an Approach Directed at Molecular Diversity and Isozyme Selectivity. Design of Selective Neuronal Nitric Oxide Synthase Inhibitors (2008)

Fragment hopping, a new fragment-based approach for de novo inhibitor design focusing on ligand diversity and isozyme selectivity, is described. The core of this approach is the derivation of the minimal pharmacophoric element for each pharmacophore. Sites for both ligand binding and isozyme selectivity are considered in deriving the minimal pharmacophoric elements. Five general-purpose libraries are established: the basic fragment library, the bioisostere library, the rules for metabolic stability, the toxicophore library, and the side chain library. These libraries are employed to generate focused fragment libraries to match the minimal pharmacophoric elements for each pharmacophore and then to link the fragment to the desired molecule. This method was successfully applied to neuronal nitric oxide synthase (nNOS), which is implicated in stroke and neurodegenerative diseases. Starting with the nitroarginine-containing dipeptide inhibitors we developed previously, a small organic molecule with a totally different chemical structure was designed, which showed nanomolar nNOS inhibitory potency and more than 1000-fold nNOS selectivity. The crystallographic analysis confirms that the small organic molecule with a constrained conformation can exactly mimic the mode of action of the dipeptide nNOS inhibitors. Therefore, a new peptidomimetic strategy, referred to as fragment hopping, which creates small organic molecules that mimic the biological function of peptides by a pharmacophore-driven strategy for fragment-based de novo design, has been established as a new type of fragment-based inhibitor design. As an open system, the newly established approach efficiently incorporates the concept of early "ADME/Tox" considerations and provides a basic platform for medicinal chemistry-driven efforts.
Allylic Oxidations Catalyzed by Dirhodium Caprolactamate via Aqueous <i>tert</i>-Butyl Hydroperoxide: The Role of the <i>tert</i>-Butylperoxy Radical (2008)

Dirhodium(II) caprolactamate exhibits optimal efficiency for the production of the tert-butylperoxy radical, which is a selective reagent for hydrogen atom abstraction. These oxidation reactions occur with aqueous tert-butyl hydroperoxide (TBHP) without rapid hydrolysis of the caprolactamate ligands on dirhodium. Allylic oxidations of enones yield the corresponding enedione in moderate to high yields, and applications include allylic oxidations of steroidal enones. Although methylene oxidation to a ketone is more effective, methyl oxidation to a carboxylic acid can also be achieved. The superior efficiency of dirhodium(II) caprolactamate as a catalyst for allylic oxidations by TBHP (mol % of catalyst, % conversion) is described in comparative studies with other metal catalysts that are also reported to be effective for allylic oxidations. That different catalysts produce essentially the same mixture of products with the same relative yields suggests that the catalyst is not involved in product-forming steps. Mechanistic implications arising from studies of allylic oxidation with enones provide new insights into factors that control product formation. A previously undisclosed disproportionation pathway, catalyzed by the tert-butoxy radical, of mixed peroxides for the formation of ketone products via allylic oxidation has been uncovered.
A novel common mode choke and its application for 5 Gbps USB 3.0 (2011)

A novel compact common mode choke is proposed and realized without using ferrite materials. It is fabricated on LTCC substrate and possesses a small size of 1.2 mm × 2.0 mm. It provides over 10 dB common mode suppression from 1.4 GHz to 3.7 GHz and still maintains the differential signal transmission up to 8 GHz. To validate the common mode choke on USB 3.0 cable, a series of experimental tests are executed, including eye diagram for differential signal, common mode noise suppression, and elimination of common mode current on cables. The eye diagram for the filter board keeps obvious eye width and eye height and almost the same result with that for the reference board. About 57 % common mode suppression is achieved after placing the common mode filter on the board with 8 mm skew line. Moreover, the common mode current on cables related to far field radiation is also measured by current probe and eliminated over 10 dB within designed stopband by using the common mode choke.
알츠하이머 진단을 위한 당성분에 민감한 초파리 세포기반 ISFET센서개발 (2013)

In this study a biosensor was developed by using Drosophila cells expressing a gustatory receptor Gr5a and an ion sensitive field effect transistors (ISFETs) sensor device, which demonstrated significant compatibility with the Drosophila cells expressing Gr5a and their response to sugar. These results suggested that the newly developed cell based biosensor has a potential as a simple and easy screening device for Alzheimer`s disease in the future.
Meningococcal group B vaccine trial in Norway 1981--1982. Preliminary report of results available November 1982. (1983)

A combined serogroup B capsular polysaccharide and serotype 2a outer membrane complex meningococcal vaccine and a placebo preparation were tested double-blindly in 55 adult, male volunteers. The vaccine gave twofold increased binding antibodies, measured by ELISA, against non-capsular outer membrane antigen in 85 per cent of those vaccinated. Bactericidal antibodies towards a meningococcal serogroup C serotype 2a strain also increased fourfold or more among 85% vaccinated. New acquisition of meningococcal carriage was associated with antibody increase in one person from the placebo group.
Use of spread spectrum time domain reflectometry to estimate state of health of power converters (2012)

A new online measurement and analysis method has been presented in this paper to identify the state of health of power converter circuits. Using spread spectrum time domain reflectometry (SSTDR), impedance in the various current paths inside the converter as well as any fault can be identified without interrupting the circuit's normal operation. Multiple sets of test data have been generated while the SSTDR process is applied to each of the components i.e. the power MOSFETs, the dc bus capacitor and the load. These obtained test data are analyzed to show how these test results are consistent with the impedances in various current paths. An impedance matrix was formed for a non-aged converter and a corresponding matrix using SSTDR data was formed as well. The matrices could be formed for any power converter, and the impedance matrix for the non-aged converter could be considered as a “Reference matrix” for comparison purpose. By comparing these two matrices, the variation in path impedances due to aging could be determined. This research aims to identify the measurable quantities to characterize the aging process, their origins of these quantities and propose convenient methods to measure them.
Estrogen receptor β-selective phytoestrogenic formulation prevents physical and neurological changes in a preclinical model of human menopause (2011)

Overall, the phyto-β-SERM diet induced physical and neurological responses comparable with ovary-intact mice, suggesting the therapeutic potential of the phyto-β-SERM formulation for the prevention/alleviation of climacteric symptoms and decline in brain responses induced by ovarian hormone loss, which provides the basis for further work in postmenopausal women.
Polyimides Based on 9,9-Disubstituted Xanthene Dianhydrides (1994)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTPolyimides Based on 9,9-Disubstituted Xanthene DianhydridesSwiatoslaw Trofimenko and Brian C. AumanCite this: Macromolecules 1994, 27, 5, 1136–1146Publication Date (Print):February 1, 1994Publication History Published online1 May 2002Published inissue 1 February 1994https://pubs.acs.org/doi/10.1021/ma00083a010https://doi.org/10.1021/ma00083a010research-articleACS PublicationsRequest reuse permissionsArticle Views656Altmetric-Citations42LEARN 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 optionsGet e-Alertsclose Get e-Alerts
Magnetic shielding of a laboratory Hall thruster. I. Theory and validation (2014)

We demonstrate a technique by which erosion of the acceleration channel in Hall thrusters can be reduced by at least a few orders of magnitude. The first principles of the technique, now known as “magnetic shielding,” have been derived based on the findings of 2-D numerical simulations. The simulations, in turn, guided the modification of an existing 6-kW laboratory Hall thruster to test the theory and are the main subject of this Part I article. Part II expands on the results of the experiments. Near the walls of the magnetically shielded (MS) thruster theory and experiment agree that (1) the plasma potential has been sustained at values near the discharge voltage, and (2) the electron temperature has been lowered compared to the unshielded thruster. Erosion rates deduced directly from the wall probes show reductions of at least ∼3 orders of magnitude at the MS inner wall when an ion energy threshold of 30.5 V is used in the sputtering yield model of the channel material. At the outer wall the probes reveal that the ion energy was below the assumed threshold. Using a threshold of 25 V, the simulations predict a minimum reduction of ∼600 at the MS inner wall. At the MS outer wall ion energies are found to be below 25 V. When a 50-V threshold is used the computed ion energies are below the threshold at both sides of the channel. Uncertainties, sensitivities, and differences between theory and experiment are also discussed. The elimination of wall erosion in Hall thrusters solves a problem that has remained unsettled for more than five decades.
Short-offset grounded-wire TEM method for efficient detection of mined-out areas in vegetation-covered mountainous coalfields (2016)

The in-loop transient electromagnetic (TEM) method has been widely used for reliable investigation of mined-out areas of the subsurface. However, the method has limited applications in mountainous coalfields that are often covered with tall vegetation: first, it requires extra work to clear the surface and set up the TEM equipment; more importantly, dense vegetation restricts the required layout of a standard rectangular loop, and such geometry irregularity can decrease the detection accuracy. This study proposes using short-offset grounded-wire TEM (SOTEM) for enhanced detection of the mined-out areas in vegetation-covered mountainous fields. The distance between the SOTEM source and receivers is flexible and thereby the receiving location can be freely adjusted according to the environmental conditions of the surveying area, without reducing the detection resolution. Properties of the proposed SOTEM method are well tested before real applications, and our test indicates that SOTEM has an axis-symmetric field distribution, higher sensitivity to anomaly, and larger detection depth, compared to the conventional large-loop TEM method. Application to one coalfield in Changzhi (Shanxi Province, China) demonstrates the added value of implementing SOTEM for detecting the mined-out areas in this field and the results are well verified by the drilling result.
Control of Inflammatory Damage by Anti-Lfa-1: Increase Success of Myoblast Transplantation (1997)

Myoblast transplantation is a potential treatment for Duchenne Muscular Dystrophy. This article confirms by experiments in mice that one problem that has limited the success of clinical trials of this procedure is a rapid (within 3 days) inflammatory reaction which kills most of the injected myoblasts. The death of the transplanted myoblasts can be prevented by treating the host with a mAb against LFA-1. This led to a 27-fold increase in the number of muscle fibers expressing a reporter gene present in the donor myoblasts when the host is also adequately immunosuppressed with FK506. Therefore, both the nonspecific inflammatory reaction and the specific immune response should be adequately controlled following myoblast transplantation.
1Gsearch/sec Ternary Content Addressable Memory compiler with silicon-aware Early-Predict Late-Correct single-ended sensing (2012)

A Ternary Content Addressable Memory (TCAM) uses a two phase search operation where early prediction on its pre-search results prematurely activates the subsequent main-search operation, which is later interrupted only if the final pre-search results contradict the early prediction. This early main-search activation improves performance by 30%, while the low-probability of a late-correct has a negligible power impact. This Early Predict Late Correct (EPLC) sensing enables a high-performance TCAM compiler implemented in 32nm High-K Metal Gate SOI process to achieve 1Gsearch/sec throughput on a 2048×640bit TCAM instance while consuming only 0.76W. Embedded Deep-Trench (DT) capacitance for power supply noise mitigation adds 5% overhead for a total TCAM area of 1.56mm <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sup> .
Temperature Measurements in Flames at 1000 Hz Using Femtosecond Coherent Anti-Stokes Raman Spectroscopy (2010)

[Abstract] Single-laser-shot temperature measurements at a data rate of 1 kHz are demonstrated using femtosecond coherent anti-Stokes Raman scattering (CARS) spectroscopy. The excitation of gas-phase Raman lines with spectral widths of 3 GHz by pump and Stokes beams with spectral widths of 3000 GHz is very efficient provided that the pump and Stokes beams are Fouriertransform-limited. The single-laser-shot measurements were performed by using a chirped probe pulse to map the time-dependent frequency-spread decay of the Raman coherence into the spectrum of the CARS signal pulse. Temperature is determined from the spectral shape of the chirped-probe femtosecond CARS signal for probe delays of approximately 2 picoseconds with respect to the impulsive pump-Stokes excitation of the Raman coherence. Fs CARS spectra with very high signal-to-noise ratios are acquired from laminar flames, forced unsteady flames, and turbulent flames. The fs CARS spectrum is not affected by collisional line shapes in contrast to ns CARS spectroscopy. However, the fs CARS spectrum is affected by the spectrum and phase of the pump, Stokes, and probe beams, and the effect of departures from the assumptions of Fourier-transform-limited pump and Stokes beam and a linearly chirped probe beam are discussed. I. Introduction Single-pulse coherent anti-Stokes Raman scattering (CARS) spectroscopy of gas-phase resonances using femtosecond (fs) lasers is discussed. Femtosecond CARS offers two potential major advantages compared with nanosecond CARS; i.e., CARS as usually performed with nanosecond pump and Stokes lasers. These potential advantages are (1) a significant increase in the signal-to-noise ratio of the CARS signal and (2) the capability of performing real-time temperature and species measurements at data rates of 1 kHz or greater. The potential for real-time measurements at frequencies of interest in turbulent flames is the result of the commercial availability of femtosecond laser systems with pulse energies of a few J to a few mJ and with repetition rates of 1 kHz up to 250 kHz. If techniques for determining single-pulse temperatures and/or concentrations can be developed, time series measurements can be performed in turbulent flames and flows at data rates that are faster than turbulent fluctuation frequencies. The potential for significant noise reduction is a result of the
Fabrication of periodic nanoparticle clusters using a soft lithographic template (2015)

A novel fabrication method has been developed for the preparation of a periodic array of nanoparticle clusters (NPCs) using a sublimable liquid crystal (LC) material.
Coordinative real‐time sub‐transmission volt–var control for reactive power regulation between transmission and distribution systems (2018)

This study introduces a new approach for coordinating volt–var control (VVC) between sub‐transmission and distribution systems through optimal reactive power dispatch of distributed energy resources (DERs) that are aggregated as virtual power plants (VPPs). At the sub‐transmission level, shunt devices and the reactive power provided by the VPPs are coordinated and optimised using a VVC algorithm with weighted sum of multiple objects that include minimising voltage deviations from desirable levels at load buses, minimising loses, minimising solar curtailment, minimising demand response usage and minimising mechanical switching of shunt elements. The algorithm runs every 5 min and is solved using the AC optimal power flow technique. At the distribution level, each VPP runs a distribution VVC algorithm to dispatch reactive power from DERs. The goal of the VPP reactive power control is to meet sub‐transmission service requirements while satisfying all the constraints at the distribution side. Each VPP updates its reactive power capability every 5 min to allow the sub‐transmission controller to formulate the optimisation problem for the next dispatch interval. The proposed tool is simulated on a Duke Energy Carolina system to demonstrate the capability of providing voltage support by dispatching reactive power of DERs as a VPP.
Engineered Interfaces in Hybrid Ceramic–Polymer Electrolytes for Use in All-Solid-State Li Batteries (2016)

Composites of inorganic lithium ion conducting glass ceramics (LICGCs) and organic polymers may provide the best combination of properties for safe solid separators in lithium or lithium ion batteries to replace the currently used volatile liquid electrolytes. A key problem for their use is the high interfacial resistance that develops between the two, increasing the total cell impedance. Here we show that the application of a thin conformal SiO2 coating onto a LICGC followed by silanization with (CH3CH2O)3–Si–(OCH2CH2)–OCH3 in the presence of LiTFSI results in good adhesion between the SiO2 and the LICGC, a low resistance interface, and good wetting of Li0. Further, the cross-linked polymer formed on the surface of the silanated SiO2 interface formed from excess (CH3CH2O)3–Si–(OCH2CH2)–OCH3 prevents corrosion of the LICGC by Li0 metal. The use of SiO2 as a “glue” enables compatibilization of inorganic ceramics with other polymers and introduction of interfacial pendant anions.
Time reversal enabled elastic wave data communications using sensor arrays (2013)

The Data communication on pipe-like structures presents a unique opportunity for gas pipeline industry or oil drilling and exploration industry to meet the need for information transfer or data telemetry over a long distance. Typically, the operating environment under which the data telemetry is required for gas pipeline or oil drilling is not suitable for traditional communication modalities such as wireless radio communication, optical cable communication, or acoustic sound communication. Elastic waves are waves that can propagate over a long distance on solid medium such as metal pipes or strings. We have demonstrated experimentally the use of elastic wave for data communication over metal pipes in a single-input single-output configuration, which yields a data rate of 20 kb/s by time reversal pulse position modulation (TR-PPM). The result is obtained by exploring the reciprocity of elastic wave channel using time reversal without relying on additional processing techniques such as channel equalization or error control coding. In this paper, we report our experimental and theoretical investigation of TR-PPM scheme using sensor arrays to further improve the data communication throughput.
Analysis of calibration-free wavelength-scanned wavelength modulation spectroscopy for practical gas sensing using tunable diode lasers (2013)

A novel strategy has been developed for analysis of wavelength-scanned, wavelength modulation spectroscopy (WMS) with tunable diode lasers (TDLs). The method simulates WMS signals to compare with measurements to determine gas properties (e.g., temperature, pressure and concentration of the absorbing species). Injection-current-tuned TDLs have simultaneous wavelength and intensity variation, which severely complicates the Fourier expansion of the simulated WMS signal into harmonics of the modulation frequency (fm). The new method differs from previous WMS analysis strategies in two significant ways: (1) the measured laser intensity is used to simulate the transmitted laser intensity and (2) digital lock-in and low-pass filter software is used to expand both simulated and measured transmitted laser intensities into harmonics of the modulation frequency, WMS-nfm (n = 1, 2, 3,...), avoiding the need for an analytic model of intensity modulation or Fourier expansion of the simulated WMS harmonics. This analysis scheme is valid at any optical depth, modulation index, and at all values of scanned-laser wavelength. The method is demonstrated and validated with WMS of H2O dilute in air (1 atm, 296 K, near 1392 nm). WMS-nfm harmonics for n = 1 to 6 are extracted and the simulation and measurements are found in good agreement for the entire WMS lineshape. The use of 1f-normalization strategies to realize calibration-free wavelength-scanned WMS is also discussed.
Origin, Control, and Application of Supramolecular Chirogenesis in Bisporphyrin‐Based Systems (2004)

Abstract For Abstract see ChemInform Abstract in Full Text.
High-performance LWIR superlattice detectors and FPA based on CBIRD design (2012)

We report our recent efforts on advancing of antimonide superlattice based infrared photodetectors and demonstration of Focal Plane Arrays (FPA) based on a complementary barrier infrared detector (CBIRD) design. By optimizing design and growth condition we succeeded to reduce the operational bias of CBIRD single pixel detector without increase of dark current or degradation of quantum efficiency. We demonstrated a 1024×1024 pixel long-wavelength infrared focal plane array utilizing CBIRD design. An 11.5 μm cutoff FPA without anti-reflection coating has yielded noise equivalent differential temperature of 53 mK at operating temperature of 80 K, with 300 K background and cold-stop. In addition, we demonstrated 320×256 format FPA based on the n-CBIRD design. The resulting FPAs yielded noise equivalent differential temperature of 26 mK at operating temperature of 80 K, with 300 K background and cold-stop. These results advance state-of-the art of superlattice detectors and demonstrated advantages of CBIRD architecture for realization of FPA.
A method for generating weighted random test patterns (1989)

A new method for generating weighted random patterns for testing LSSD logic chips and modules is described. Advantages in using weighted random versus either deterministic or random test patterns are discussed. An algorithm for calculating an initial set of input-weighting factors and a procedure for obtaining complete stuck-fault coverage are presented.