gebhart/patrepeval huggingface dataset:
Correlation Analyses on Binding Affinity of Sialic Acid Analogues with Influenza Virus Neuraminidase-1 Using ab Initio MO Calculations on Their Complex Structures (2010)

We carried out full ab initio molecular orbital calculations on complexes between neuraminidase-1 (N1-NA) in the influenza A virus and a series of eight sialic acid analogues including oseltamivir (Tamiflu) in order to quantitatively examine the binding mechanism and variation in the inhibitory potency at the atomic and electronic levels. FMO-MP2-IFIE (interfragment interaction energy at the MP2 level of ab initio fragment molecular orbital calculations) analyses quantitatively revealed (1) that the complex formation is driven by strong electrostatic interactions of charged functional groups in the analogues with ionized amino acid residues and water molecules in the active site of N1-NA, and (2) that the variation in the inhibitory potency among the eight analogues is determined by the dispersion and/or hydrophobic interaction energies of the 3-pentyl ether and charged amino moieties in oseltamivir with certain residues and water molecules in the active site of N1-NA. The current results will be useful for the development of new antiinfluenza drugs with high potency against various subtypes of wild-type and drug-resistant NAs.
Reproducible Research with R and R Studio (2013)

Bringing together computational research tools in one accessible source, Reproducible Research with R and RStudio guides you in creating dynamic and highly reproducible research. Suitable for researchers in any quantitative empirical discipline, it presents practical tools for data collection, data analysis, and the presentation of results.With str
Electroplating nickel onto uranium as fission-recoil barrier (2009)

Molybdenum-99 is produced mainly for medical application by irradiating high-enriched uranium targets (HEU). The replacement of such targets with lowenriched uranium (LEU) will require 5÷6 times more uranium for equivalent yield of 99Mo. The proposed target design [4] consists of a thin LEU metal foil sandwiched between the walls of Al tubes. The observed difficulties in removing the uranium foil from the target assembly has been attributed to bonding of the uranium to the Al tubes due to the ion mixing caused by fission fragments escaping from the uranium foil during neutron irradiation. The proposed solution [7] is to add fission-fragment absorbing barriers between the uranium foil and the Al tubes. The barrier layer thickness depends on the recoil range of fission fragments in a particular material. For nickel, the recoil distance amounts to ~ 7 μm [3]. For the sake of safety, the barrier layer thickness should be approximately twice the recoil distance. The barrier layer must also assure good coverage of the foil to preclude the possibility of localized bonding to the target and heat dissipation during irradiation. The procedure of target assembling comprises wrapping of a uranium foil 140 μm thick between two sheets of a nickel foil 15 μm thick. Such a sandwich is collared around the inner Al tube and loaded into the Al outer tube. Finally, the target is expanded in a draw die by pulling the appropriately sized draw plug through the target. Electroplating nickel onto uranium as fission-recoil barrier Izabela Cieszykowska, Malgorzata Żoltowska, Mieczyslaw Mielcarski
Glibenclamide is a competitive antagonist of the thromboxane A<sub>2</sub>receptor in dog coronary artery<i>in vitro</i> (1990)

1. Glibenclamide, a sulphonylurea oral hypoglycaemic agent is a widely used antagonist of cromakalim-activated K+ channels in smooth muscle. 2. In isolated ring segments of the large circumflex coronary artery from the dog, glibenclamide (1-30 microM) caused a concentration-dependent reduction in both spontaneous isometric force and contractions induced by U46619, a thromboxane A2-mimetic. 3. Glibenclamide behaved as a competitive antagonist of U46619 with an estimated pKB (-log KB) value of 6.2 by Schild regression analysis (slope 1.07). 4. Glibenclamide (30 microM) was apparently selective since it had no effect on the concentration-contraction curves to endothelin-1, noradrenaline or KCl. 5. We suggest that this additional property of glibenclamide should be considered in any smooth muscle study where active force is raised by either the exogenous application or endogenous generation of thromboxane A2.
Modelling of laser-controlled erbium-doped fiber amplifiers (2005)

Summary form only given. This report presents for the first time a comprehensive theoretical study on the laser-controlled Er-doped fiber amplifiers (EDFAs). Explicit analytical expressions are derived for the calculation of amplifier gain and noise spectra, critical input signal power; and optimum amplifier length without resorting to any numerical methods of analysis.
Seed Character Relationships in the Leguminosae (1966)

The Leguminosae possess two basic seed types, a generalized form characteristic of the Mimosoideae and Caesalpinioideae, and a derived type characteristic of the Papilionoideae. Intermediates between caesalpinioid and papilionoid seeds strengthen the hypothesis that the phyletic roots of the Papilionoideae are in the Caesalpinioideae. Seed data affirm a relationship between the Mimosoideae and Caesalpinioideae but provide little new information as to the nature of this kinship. The Mimosoideae are not closely related to the Papilionoideae on the basis of seeds or other features.
Effects of spatial coherence in diffraction phase microscopy (2014)

Quantitative phase imaging systems using white light illumination can exhibit lower noise figures than laser-based systems. However, they can also suffer from object-dependent artifacts, such as halos, which prevent accurate reconstruction of the surface topography. In this work, we show that white light diffraction phase microscopy using a standard halogen lamp can produce accurate height maps of even the most challenging structures provided that there is proper spatial filtering at: 1) the condenser to ensure adequate spatial coherence and 2) the output Fourier plane to produce a uniform reference beam. We explain that these object-dependent artifacts are a high-pass filtering phenomenon, establish design guidelines to reduce the artifacts, and then apply these guidelines to eliminate the halo effect. Since a spatially incoherent source requires significant spatial filtering, the irradiance is lower and proportionally longer exposure times are needed. To circumvent this tradeoff, we demonstrate that a supercontinuum laser, due to its high radiance, can provide accurate measurements with reduced exposure times, allowing for fast dynamic measurements.
Synthesis of 2,3-disubstituted pyridines. o-Formylation and o-acylation of 2-alkylpyridines (1976)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSynthesis of 2,3-disubstituted pyridines. o-Formylation and o-acylation of 2-alkylpyridinesEdward B. Sanders, Henry V. Secor, and Jeffrey I. SeemanCite this: J. Org. Chem. 1976, 41, 15, 2658–2659Publication Date (Print):July 1, 1976Publication History Published online1 May 2002Published inissue 1 July 1976https://pubs.acs.org/doi/10.1021/jo00877a039https://doi.org/10.1021/jo00877a039research-articleACS PublicationsRequest reuse permissionsArticle Views238Altmetric-Citations15LEARN 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
Determination of CD4 and CD8 lymphocyte subsets by a new alternative fluorescence immunoassay (1995)

The purpose of this study was to evaluate a new alternative fluorescence immunoassay method (Zymmune CD4/CD8 Cell Monitoring Kit; Zynaxis, Inc., Malvern, Pa.) for determining the absolute CD4+ and CD8+ T-lymphocyte concentrations in whole blood. The investigation was performed as a two-site comparison of the reference whole blood flow cytometric method with the Zymmune method. In this investigation, a total of 166 patient samples were evaluated of which approximately 20% were from human immunodeficiency virus-positive individuals. The mean value for samples performed by the Zymmune CD4 assay was 1,094 (range, 74 to 2,586) cells per microliters, while the reference method yielded a mean of 890 (range, 35 to 2,033) cells per microliter. The correlation coefficient for regression analysis was 0.940. The mean value for samples performed by the Zymmune CD8 assay was 700 (range, 212 to 1,813) cells per microliter, while the reference method yielded a mean of 546 (range, 82 to 2,158) cells per microliter. The correlation coefficient for regression analysis was 0.921. No site-specific differences or trends in CD4 or CD8 values were seen when the data were analyzed by site of collection. The average precision of the CD4 assay varied from 6 to 14%, corresponding to the high and low concentration ranges. For CD8, the average precision varied from 8.3 to 16% over the respective high to low concentration ranges. We conclude that the Zymmune CD4/CD8 Cell Monitoring Kit method provides absolute CD4+ and CD8+ T-lymphocyte concentrations which are equivalent to those given by the reference flow cytometric method.
An Optical Open Area Ratiometer (1980)

An optical method for measuring the percent of open area of perforated sheet materials is presented. The technique, which is based on Fourier optics, uses a detector to measure a small central portion of the light in the Fraunhofer diffraction pattern of the perforated sheet. This approach offers accuracy and speed while avoiding diffraction problems associated with arrays of small holes. In addition it can be used with translucent materials. A brief theoretical analysis is presented as well as results obtained with a laboratory system. The system is being developed to inspect perforated materials fabricated for use on noise suppression systems for aircraft engines, however, it should be useful in the general noncontact determination of the open area of perforated materials.
Structure and solution conformation of the cytostatic cyclic tetrapeptide WF-3161, cyclo[L-leucyl-L-pipecolyl-L-(2-amino-8-oxo-9,10-epoxydecanoyl)-D-phenylalanyl] (1986)

The sequence and configuration of amino acids in the cytostatic cyclic tetrapeptide WF-3161 are established as cyclo(L-Leu-L-Pip-L-Aoe-D-Phe) where Pip = pipecolic acid and Aoe = 2-amino-8-oxo-9,10-epoxydecanoic acid. In chloroform, WF-3161 adopts a conformation with a possible gamma-turn between Leu NH and Aoe C = O and a cis amide bond between Leu and Pip. The torsion angles for this conformation are L-Aoe, phi, -95 degrees, psi, +85 degrees, omega, -155 degrees; D-Phe, phi, +120 degrees, psi, -80 degrees, omega, -175 degrees; L-Leu, phi, -145 degrees, psi, +35 degrees, omega, -10 degrees; L-Pip, phi, +20 degrees, psi, -135 degrees, omega, -170 degrees. The cis,trans,trans,trans amide bond sequence is related to the dimethyl sulfoxide conformation of chlamydocin, another cytostatic cyclic tetrapeptide.
Interactions between a Plate and a Sound Field (1948)

The paper deals with phenomena associated with the interactions between flexural vibrations in a plate and the sound field in an ambient fluid medium. An equation is developed in tractable form which determines the propagation function of the free and forced flexural waves which can exist under stated assumptions. It is found that the reaction of the fluid on the plate makes possible a wave which cannot exist in the free plate in steady state. For a steel plate in water, the potential effect of the additional wave is relatively great when the product of frequency and plate thickness lies between 6 and 20 kilocycle-inches.
Calcium imaging reveals nicotinic acetylcholine receptors on cultured mushroom body neurons (1994)

1. We used fluorescence imaging with the visible wavelength indicator fluo-3 to investigate the calcium responses to cholinergic ligands of honeybee Kenyon cells in primary culture. 2. Application of acetylcholine (ACh) or nicotine, but not pilocarpine, promoted a calcium influx into the cell body and neurites. The increase in intracellular calcium after ACh stimulation was blocked by alpha-bungarotoxin. These results support previous histochemical studies that suggested the expression of nicotinic cholinergic receptors on Kenyon cells. 3. After depolarization with high K+ solution fluorescence increased in the somata and neurites, which indicates the presence of voltage-gated Ca2+ channels in Kenyon cell membranes.
Blog-based online social relationship extraction (2009)

With the number of participants in online social networks increasing dramatically, an intelligent and efficient social relationship management system is necessary for online users. The traditional linear social entity list representation would become problematic while the network grows larger. In this paper, we present a system - visoLink which is a social network based on "friends ranking" by using our proposed user interest similarity measure. A unique approach combining content analysis and usage analysis for user interest mining has been proposed. It measures user's interests based on both user's writing and reading interests. This similarity measure between online actors provides the fundamental support for personal social network visualization and the personalized recommendation.
Des jardins pour ménager les bords de route et de voie ferrée. Actes du Séminaire de recherche, Grenoble, 17 décembre 2012 (2013)

International audience
Jaws‐only IMRT using direct aperture optimization (2006)

Using direct aperture optimization, we have developed an inverse planning approach that is capable of producing efficient intensity modulated radiotherapy (IMRT) treatment plans that can be delivered without a multileaf collimator. This "jaws-only" approach to IMRT uses a series of rectangular field shapes to achieve a high degree of intensity modulation from each beam direction. Direct aperture optimization is used to directly optimize the jaw positions and the relative weights assigned to each aperture. Because the constraints imposed by the jaws are incorporated into the optimization, the need for leaf sequencing is eliminated. Results are shown for five patient cases covering three treatment sites: pancreas, breast, and prostate. For these cases, between 15 and 20 jaws-only apertures were required per beam direction in order to obtain conformal IMRT treatment plans. Each plan was delivered to a phantom, and absolute and relative dose measurements were recorded. The typical treatment time to deliver these plans was 18 min. The jaws-only approach provides an additional IMRT delivery option for clinics without a multileaf collimator.
A Hybrid Approach for Antenna Optimization Using Cat Swarm based Genetic Optimization (2018)

The aim of the paper is to introduce the hybrid technique for the multiobjective optimization of antennas. The goal of the antenna optimization is typically minimising the reflection coefficient through a frequency band. To minimize the energy consumption is essential consideration of energy efficient transmission schemes that is used for the data transfer in wireless sensor networks. In our proposed work the efficient and low-cost multi objective technique CSGO (Cat Swarm based Genetic optimization) approach was used. The Cat Swarm Optimization approach is combined with genetic algorithm (GA) to optimize the bandwidth and return loss of the antenna. CSGO approach is to improve the Optimization efficiency and computational .This hybrid optimization approach will reduce the side lobe level and provide improvement in the Directivity. CSGO applied to the design of a miniaturized multiband antenna, showing better diversity and significant savings of overall optimization cost compared with the previously reported design methods.
Developments in a Free-Swimming Acoustic Leak Detection System for Water Transmission Pipelines (2006)

Acoustic leak detection systems have proven to be an effective means for identifying leaks in water pipelines. Currently, there are three predominant acoustic leak detection systems utilized. These include acoustic listening devices, leak noise correlators and tethered hydrophone systems. Although each system has merit, each is also limited in its ability to cost effectively survey long reaches of larger diameter water transmission pipelines. Recent technological advances have resulted in the development of a free-swimming acoustic leak detection device capable of surveying more than twelve miles of pipeline with a single deployment into a fully operational pipeline. The system can identify and locate small leaks in large (>10 in. diameter) water pipelines constructed of any pipe material. The device can also pass through in-line valves and negotiate bends in the pipeline. These benefits provide a cost effective and timely approach to identifying and locating leaks in water transmission pipelines.
Inhibition of Urease Activity by Dipeptidyl Hydroxamic Acids. (1992)

A series of dipeptidyl hydroxamic acids (H-X-Gly-NHOH: X = amino acid residues) was synthesized, and the inhibitory activity against Jack bean and Proteus mirabilis ureases [EC 3.5.1.5] was examined. A number of H-X-Gly-NHOH inhibited Jack bean urease with an I50 of the order of 10(-6) M and inhibited Proteus mirabilis urease with an I50 of the order of 10(-5) M. The inhibition against Jack bean urease was more potent than that with the corresponding aminoacyl hydroxamic acids (H-X-NHOH).
An integral theory and its method for the diagnosis and management of female urinary incontinence. (1993)

The Integral Theory on Female Urinary Incontinence states: stress symptoms, urge symptoms, and symptoms of defective flow may all derive , for different reasons, from laxity in the suburethral vagina or its supporting ligaments. This theory proposes that the pre-tensioned anterior vaginal wall transmits specific pelvic muscle contractions which open or close the bladder neck and urethra. The vagina is tensioned like the membrane of a drum against the ligaments which support it from above. In its tensioned state, the vagina can be pulled by the pelvic floor muscles to mechanically open or close bladder neck. The tensioned vagina also indirectly supports the nerve terminals at bladder base. Vaginal laxity may predispose to premature activation of the micturition reflex. If this reflex cannot be suppressed, then the subsequent uninhibited detrusor contraction may cause urinary urge incontinence ( bladder instability). Therefore, laxity* in the vaginal tissue or its supporting ligaments may, for different reasons cause symptoms of stress incontinence, urge incontinence, or of defective opening. Based on the evidence presented here and in previous studies (1), a new anatomical classification of female urinary incontinence can be made, consisting of six specific anatomical defects. Characteristic clinical, morphological and urodynamic changes which help to diagnose a particular defect are identified, as is the modifying effect of age, hormones, and iatrogenically induced scar tissue. Three separate closure mechanisms are described, urethral, bladder neck, and a separate voluntary mechanism. * excessive tightness of these structures may also cause dysfunction of the opening/closure mechanisms in the patient who has been already subjected to surgical interference.
Zone lasers (1994)

Vertical-cavity zone lasers (Z lasers) operating in 850 and 980 nm have been fabricated. This new class of high power, high efficiency, and large area vertical-cavity lasers has an output light that automatically comes to a focus in a single spot at a particular distance away from the laser output coupler. The light output of the 850-nm Z laser exhibits a spot size of 12 μm in the focal plane for up to several tens of mW with a 0.4-Å spectral width and fixed linear polarization. Through an analysis, ways to enhance the coherence of the Z lasers will be discussed.
A Numerical Method for Calibrating Microwave Cavities for Plasma Diagnostics - Part I (1972)

Computer programs are described which generate calibration curves for TE/sub 0np/ and TM/sub 0n0/ cylindrical microwave cavities used in plasma diagnostics. The programs provide data for electron densities well above those at which perturbation theory fails, and can be used for any specified variation of electron density with radius.
A monoclonal antibody inhibiting human neutrophil chemotaxis and degranulation. (1981)

The hybridoma technique of Kohler and Milstein was used to raise a monoclonal antibody against human neutrophils it has been found to inhibit neutrophil chemotaxis and degranulation. The antibody has been termed NCD 1. Incubation of 12 micrograms of NCD 1 with neutrophils (2 X 10(6)), followed by incubation with cytochalasin B and stimulation with either C5a, fMet-Leu-Phe, or soluble aggregated immunoglobulin, resulted in the inhibition of lysosomal enzyme release. The inhibition was not cytochalasin B dependent, since lysosomal enzyme release induced by opsonized zymosan or opsonized sheep erythrocytes was also inhibited, even in the absence of cytochalasin B. NCD 1 had no affect on enzyme release induced by the calcium ionophore A23138 or by phorbol myristate acetate. The antibody also inhibited neutrophil chemotaxis to zymosan-activated plasma and fMet-Leu-Phe. By contrast, superoxide production stimulated by phorbol myristate acetate, opsonized zymosan, or fMet-Leu-Phe was not affected by NCD 1. Similarly, uptake of 51Cr-labeled opsonized sheep erythrocytes into neutrophils was resistant to the effects of the antibody. NCD 1 Fab fragments did not inhibit lysosomal enzyme release or chemotaxis, althugh binding to the neutrophil surface was demonstrated by immunofluorescence. NCD 1 F(ab')2 fragments behaved analogously to the whole antibody. Binding of both fMet-Leu-[3H]Phe or 125I-soluble aggregated immunoglobulin to the cells was not inhibited by the antibody, which implied that NCD 1 was inhibiting some post-ligand binding event.