gebhart/patrepeval huggingface dataset:
Uracil Dimer:  Potential Energy and Free Energy Surfaces. Ab Initio beyond Hartree−Fock and Empirical Potential Studies (1998)

The first complete theoretical analysis of the gas-phase formation of a nucleic acid base pair (uracil dimer) has been performed. The study is based on a combination of AMBER 4.1 empirical potential, correlated ab initio quantum chemical methods, computer simulations, and statistical thermodynamical methods. In total, 11 low-energy minima structures were located on the potential energy surface of the uracil dimer: seven of them are H-bonded, one is T-shaped, and three correspond to various stacked arrangements. The most stable structure is a H-bonded dimer with two N1−H···O2 H-bonds, designated as HB4; it has an energy minimum of −15.9 kcal/mol at the MP2/6-31G*(0.25)//HF/6-31G** level of theory. T-shaped structure and stacked structures are less stable than H-bonded ones. Thermodynamic characteristics were obtained using the rigid rotor−harmonic oscillator−ideal gas (RR-HO-IG) approximation adopting the AMBER 4.1 and ab initio characteristics. Furthermore, the population of various structures was determined by computer simulations in the NVT canonical and NVE microcanonical ensembles. Results obtained from the RR-HO-IG approximation and the NVT ensemble are very similar and differ from the result of the NVE ensemble. The present analysis demonstrates that different gas-phase experimental techniques can be used for investigating different regions of the conformational space for nucleic acid base pairs. The fact that entropy is always significant and differs for H-bonded and stacked structures is of importance.
Efficient Multidimensional Sampling (2002)

Image synthesis often requires the Monte Carlo estimation of integrals. Based on a generalized concept of stratification we present an efficient sampling scheme that consistently outperforms previous techniques. This is achieved by assembling sampling patterns that are stratified in the sense of jittered sampling and N-rooks sampling at the same time. The faster convergence and improved anti-aliasing are demonstrated by numerical experiments. Categories and Subject Descriptors (according to ACM CCS): G.3 [Probability and Statistics]: Probabilistic Algorithms (including Monte Carlo); I.3.2 [Computer Graphics]: Picture/Image Generation; I.3.7 [Computer Graphics]: Three-Dimensional Graphics and Realism.
P2X7 receptor antagonists: a patent review (2010–2015) (2016)

The P2X7 receptor (P2X7R) is a unique subtype among the family of seven purinergic P2X receptors, which are ATP-gated non-selective cation channels. P2X7R has been reported to have pathological roles in various diseases, including autoimmune diseases such as arthritis and inflammatory bowel disease, neurodegenerative diseases, chronic pain, mood disorders and cancers. Therefore, many pharmaceutical companies have endeavored to develop a clinical candidate targeting P2X7R. Areas covered: This review provides a summary of various patents on chemicals and biologics and their clinical use published between 2010 and 2015. The reader will gain information on structural claims, representative structures and biological activities of recently developed P2X7R antagonists. Expert opinion: P2X7R is a fascinating therapeutic target and potential biomarker for inflammation, pain disorders and cancers. Research on the development of P2X7R antagonists has continually increased despite the failure of AstraZeneca and Merck's compounds in phase II clinical trials. Various scaffolds have been disclosed by several pharmaceutical industries, and some compounds are currently under investigation in clinical trials.
Celecoxib Attenuates Kainic Acid-induced Neuronal Cell Death Through Suppression of Microglial c-Jun N-terminal Kinase Phosphorylation (2009)

In the present study, neuroprotective property of celecoxib, a selective cyclooxygenase-2 (COX-2) inhibitor, and its underlying mechanism were examined in the animal model of kainic acid (KA)-induced excitotoxicity. KA, administered intracerebroventricularly (i.c.v.), induced marked neuronal cell death with concurrent microglial activation and subsequent induction of inducible nitric oxide synthase (iNOS) in the hippocampus. Histopathological analysis demonstrated that celecoxib (100 mg/kg), pre-treated 1 hr before or post-treated 2 hr after KA i.c.v. injection, significantly attenuated KA-induced death of pyramidal neurons in CA3 region. Celecoxib obviously suppressed KA-induced microglial activation and subsequent iNOS expression. KAinduced phosphorylation of c-Jun N-terminal kinases (JNK) was attenuated with celecoxib treatments. The results of the present study demonstrate that suppression of JNK phosphorylation by celecoxib contributes to its neuroprotective action against KA-induced excitotoxicity suggesting that celecoxib may be a potentially valuable in the treatment of acute brain pathologies associated with excitotoxic neuronal damage such as epilepsy, stroke, and traumatic brain injury.
Association between <i>Chlamydia trachomatis</i> antibodies and subfertility in the Northern Finland Birth Cohort 1966 (NFBC 1966), at the age of 31 years (2004)

The objective of this study was to assess the serological association between previous Chlamydia trachomatis infection and subfertility in a general population sample. A nested case (n = 493)-control (n = 986) study in a population-based birth cohort consisting of 12,058 live births from the year 1966 was conducted. The analysis was restricted to those 6007 cohort members who replied to a postal inquiry and participated in a health examination including blood samples at the age of 31 years. The presence of C. trachomatis-specific serum IgG antibodies was screened by a synthetic peptide-based enzyme-linked immunosorbent assay. All the positive sera were further tested by the microimmunofluorescence method using immunotype pools and individual immunotypes of C. trachomatis as antigens. An association was found between the detection of immunotype-specific C. trachomatis antibodies and subfertility both in men and women. The results of the present study confirm the serological association between past C. trachomatis infections and subfertility in male or female partners of the couple in the population-based sample.
Phosphodiesterase Inhibitors: A Chemogenomic View (2004)

This chapter contains sections titled: Introduction PDE Isoenzymes and Subtypes Potential Therapeutic Applications of PDE Inhibitors Nonspecific PDE Inhibitors Inhibitors of the cGMP-specific PDE5 and PDE6 Substrate-analogous PDE5 Inhibitors Inhibitors Carrying a Chloromethoxybenzyl Substituent Indole-type PDE5 Inhibitors PDE6 Inhibitors Inhibitors of cAMP-metabolizing PDE4 and PDE3 Dual PDE4/3 Inhibitors PDE3 Inhibitors Inhibitors of Other Phosphodiesterases PDE1 PDE2 PDE7 Recently Discovered PDEs 8–11 Summary: A Chemogenomic View of PDE Inhibitors
Maternal Pattern of Reproduction and Risk of Breast Cancer in Daughters: Results From the Utah Population Database (1994)

These findings widen the epidemiologic support for the fetal antigen hypothesis, which is an immunogenetic explanation for the relationships between reproductive factors and breast cancer risk. That hypothesis provides strategies for the identification of breast cancer genes and the eventual development of a breast cancer vaccine.
Tracking mouse visual pathways with WGA transgene (2003)

By use of wheat germ agglutinin (WGA) cDNA as a transgene, we have succeeded in generating a transgenic mouse line in which the visual pathways can be accurately and reproducibly visualized. The WGA transgene was expressed in the retinal rod bipolar cells under the control of mouse L7 promoter. The transgene product, WGA protein, was transferred from the bipolar cells to the amacrine cells and the ganglion cells across synapses in the retinal neural circuitry and further conveyed along the optic nerve to the visual centers such as the suprachiasmatic nucleus, the lateral geniculate nucleus, the pretectal nucleus and the superior colliculus. By crossing the WGA-expressing transgenic mice with the retinal degeneration mutant mice, we analyzed change in the visual pathways by monitoring WGA immunoreactivity and found that the disorganization process of the visual pathways was relatively slow in spite of the rapid degeneration of the photoreceptor cells. Thus, this transgenic mouse line would provide a useful tool for analyzing phenotypic changes in the visual pathways of various mutant mice.
Hybrid networks and their uses in radio-frequency circuits (1984)

The general properties of hybrid networks are described and two main types, the quadrature and the 0–180° types, are identified. A list of uses of hybrid networks in radio frequency circuits follows. Seventeen configurations of hybrid networks are given with diagrams showing the variations of their input and output parameters with frequency. The 3 dB transmission line coupler is described in more detail and multiplexers are mentioned.
The K88 fimbrial adhesin of enterotoxigenic Escherichia coli binds to beta 1-linked galactosyl residues in glycosphingolipids (1993)

The K88 fimbrial adhesin enables certain strains of enterotoxigenic Escherichia coli to adhere to the porcine small intestine. In this study, the ability of the K88 adhesin to bind to glycosphingolipids was monitored by modified enzyme-linked immunosorbent assay and thin-layer chromatography overlay binding analysis. The binding of the K88 adhesin to glycosphingolipid-coated microtiter plates was saturable, with 50% maximal binding occurring with gangliotriaosylceramide, gangliotetraosylceramide, and lactosylceramide at 67 +/- 21, 117 +/- 21, and 73 +/- 22 pM, respectively. Thin-layer chromatography overlay binding analysis demonstrated that serotype O8:K87:K88ab:H19 E. coli bound to hydroxylated galactosylceramide, gangliotriaocylceramide, gangliotetraosylceramide, and lactosylceramide but not to globotriaosylceramide, nonhydroxylated galactosylceramide, glucosides, glucosylceramide, or a mixture of ceramides. The K88 adhesin did not bind by either assay to globoside, the Forssman glycolipid, GM1, GM2, GM3, GD1a, GD2, GD3, GQ1b, or GT1b. The binding pattern observed with the K88 adhesin suggests that beta 1-linked galactosyl residues are the minimum determinant required for binding, provided they are presented correctly. It is suggested that beta 1-linked galactose residues may form the molecular basis of both glycoprotein and glycolipid receptors for the K88 fimbrial adhesin in the porcine small intestine.
Highly simplified device for measuring the intensity and phase of picosecond pulses (2010)

We demonstrate an extremely simple frequency-resolved-optical-gating (GRENOUILLE) device for measuring the intensity and phase of relatively long--ps--pulses. In order to achieve the required high spectral resolution and large temporal range, it uses a few-cm-thick second-harmonic-generation crystal in the shape of a pentagon. This has the additional advantage of reducing the device's total number of components to as few as three simple easily aligned optics, making it the simplest device ever developed for complete pulse measurement. We report complete intensity-and-phase measurements of pulses up to 15ps long with a time-bandwidth product of 21.
Role of a serum phospholipase A<sub>1</sub>in the phosphatidylserine‐induced T cell inhibition (1993)

We have previously shown that unsaturated phosphatidylserines inhibit mitogen‐induced T cell activation. We now report that the inhibitory action requires a protein present in bovine and human serum. Partial purification and phospholipase assay show that this protein has phospholipase A activity on phosphatidylserine but not phosphatidylethanolamine, phosphatidylcholine and phosphatidylinositol. In short incubations (1–3 h) 2‐acyl lysophosphatidylserine is produced but in longer incubations the cis ‐unsaturated fatty acid is also released. Experiments on peripheral blood mononuclear cells indicate that the unsaturated fatty acid becomes the main responsible for the PS‐induced inhibition and that 2‐acyl lysophosphatidylserine enhances the inhibitory effect of fatty acid.
Frequency Dispersion Effects on LWD Propagation Resistivity Measurements (2005)

Abstract Measurements sensitive to the resistivity of earth formations acquired during and after the drilling of oil and gas wells can be subject to frequency dispersion effects. The frequency range of interest in this paper is from practically zero to two million cycles per second. The most common measurements are wireline induction (10 – 100 kHz) and LWD propagation resistivity (0.4 MHz – 2 MHz). Methods suggested in the literature to analyze data subject to this effect range from simply assuming Rt is the deep 2 MHz attenuation resistivity to applying a CRIM (complex refractive index method) or other mixing law such as the Hanai-Bruggeman model. No physical basis was given by the authors who recommend using the 2 MHz attenuation resistivity. In addition, the attenuation resistivity depends on a dielectric assumption which varies between service companies as does the spacing for the deep measurement. On the other hand, the mixing models appear to be impractical because they depend on material properties such as the formation fluid content, pore microstructure, clay content, grain size, porosity, tortuosity, etc. Published log examples consistently indicate that dispersion effects occur in formations with anomalously large apparent dielectric constants. By definition, a medium with a large apparent dielectric constant is readily electrically polarized. This paper applies the accepted knowledge that polarization effects over the frequency range of interest tend to be dominated by interfacial relaxation within the rock-pore system. On this basis, an equivalent electric circuit model is used to determine the low frequency limit for the conductivity and dielectric constant based on LWD propagation measurements. Log examples will be presented where the algorithm is applied to data from a dual frequency LWD propagation resistivity tool with three fully compensated spacings. As expected, the low frequency limit conductivity from data at each spacing is shown to be higher than the dielectric-independent resistivity values used to compute the parameters of the circuit model. The low frequency limit dielectric constant is also higher than the apparent dielectric constants used in computing circuit parameters. The algorithm and its underlying theory are discussed in detail. The possibility of applying it to anisotropic and inhomogeneous cases is also discussed.
Interface states at semiconductor junctions (1999)

The experimental and theoretical progress in understanding the electronic structure and the related parameters of Schottky interfaces and heterojunctions is reviewed. Particular emphasis is devoted to the solution of several historical controversial points, to the impact of novel ab initio theoretical approaches, to new experimental techniques based on synchrotron light and free electron lasers, to the efforts towards controlled modifications of interface parameters and to the foreseeable future developments of this vigorously progressing and:technologically crucial field.
An Enone−Dienol Tautomerism and an Iron(III)-Catalyzed Dimerization of Cycloalkenone-2-carboxylates (1998)

ADVERTISEMENT RETURN TO ISSUEPREVNoteNEXTAn Enone−Dienol Tautomerism and an Iron(III)-Catalyzed Dimerization of Cycloalkenone-2-carboxylatesJens ChristoffersView Author Information Technische Universität Berlin, Institut für Organische Chemie, Sekretariat C 3 Strasse des 17. Juni 135, D-10623 Berlin, Germany Cite this: J. Org. Chem. 1998, 63, 13, 4539–4540Publication Date (Web):June 2, 1998Publication History Received17 February 1998Published online2 June 1998Published inissue 1 June 1998https://pubs.acs.org/doi/10.1021/jo9802832https://doi.org/10.1021/jo9802832brief-reportACS PublicationsCopyright © 1998 American Chemical SocietyRequest reuse permissionsArticle Views462Altmetric-Citations13LEARN 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-AlertscloseSupporting Info (1)»Supporting Information Supporting Information SUBJECTS:Addition reactions,Molecular structure Get e-Alerts
Comparing Different Sensemaking Approaches for Large-Scale Ideation (2016)

Large-scale idea generation platforms often expose ideators to previous ideas. However, research suggests people generate better ideas if they see abstracted solution paths (e.g., descriptions of solution approaches generated through human sensemaking) rather than being inundated with all prior ideas. Automated and semi-automated methods can also offer interpretations of earlier ideas. To benefit from sensemaking in practice with limited resources, ideation platform developers need to weigh the cost-quality tradeoffs of different methods for surfacing solution paths. To explore this, we conducted an online study where 245 participants generated ideas for two problems in one of five conditions: 1) no stimuli, 2) exposure to all prior ideas, or solution paths extracted from prior ideas using 3) a fully automated workflow, 4) a hybrid human-machine approach, and 5) a fully manual approach. Contrary to expectations, human-generated paths did not improve ideation (as meas-ured by fluency and breadth of ideation) over simply showing all ideas. Machine-generated paths sometimes significantly improved fluency and breadth of ideation over no ideas (although at some cost to idea quality). These findings suggest that automated sensemaking can improve idea generation, but we need more research to understand the value of human sensemaking for crowd ideation.
Principles and clinical applications of periodontal controlled drug delivery with tetracycline fibers. (1994)

Controlled drug delivery of antibiotics in the periodontal pocket is a scientifically tested clinical reality. Application of pharmacokinetic principles allows effective suppression of the pathogenic microflora, which, in turn, results in resolution of inflammatory signs. In the cases presented, tetracycline fibers were employed as a supplement to mechanical therapy and oral hygiene in a variety of clinical situations. Outcomes included depression of periodontal pathogens, reduction of bleeding on probing, decrease in probing pocket depths, and increase in probing attachment levels. A novel therapeutic approach based on root planing for debridement, local drug delivery for control of the pathogens, and oral hygiene for preventing recolonization is discussed.
Cluster Head election in Wireless Sensor Networks (2014)

Wireless Sensor Networks (WSNs) consist of a collection of cheap, easy to deploy Sensor nodes arranged together to fulfill a specific purpose (monitoring, tracking ...etc.). A WSN network is composed of a Base Station (BS) and collection of sensors. There are a lot of approaches for the network construction. Amongst them is the hierarchical structure, where the network is divided into clusters and the node inside this cluster communicates with BS through a chosen leader called Cluster Head (CH). In this paper, we present cluster-Head election algorithms for WSNs. We will discuss the operations of these algorithms, and compare their performance.
Heavy-ion-induced soft breakdown of thin gate oxides (2001)

Heavy-ion-induced soft and hard breakdown are investigated in thin gate oxides as a function of linear energy transfer, fluence, and voltage applied during irradiation. It is found that postirradiation oxide conduction is well described by the Sune quantum point contact model.
Intermetallics as Zintl Phases: Yb<sub>2</sub>Ga<sub>4</sub>Ge<sub>6</sub> and RE<sub>3</sub>Ga<sub>4</sub>Ge<sub>6</sub> (RE=Yb, Eu): Structural Response of a [Ga<sub>4</sub>Ge<sub>6</sub>]<sup>4−</sup> Framework to Reduction by Two Electrons (2004)

Two new intermetallic compounds, Yb(2)Ga(4)Ge(6) and Yb(3)Ga(4)Ge(6), were obtained from reactions in molten Ga. A third compound, Eu(3)Ga(4)Ge(6), was produced by direct combination of the elements. The crystal structures of these compounds were studied by single-crystal X-ray diffraction. Yb(2)Ga(4)Ge(6) crystallizes in an orthorhombic cell with a=4.1698(7), b=23.254(4), c=10.7299(18) A in the polar space group Cmc2(1). The structure of RE(3)Ga(4)Ge(6) is monoclinic, space group C2/m, with cell parameters a=23.941(6), b=4.1928(11), c=10.918(3) A, beta=91.426(4) degrees for RE=Yb, and a=24.136(2), b=4.3118(4), c=11.017(1) A, beta=91.683(2) degrees for RE=Eu. The refinement [I>2 sigma(I)] converged to the final residuals R(1)/wR(2)=0.0229/0.0589, 0.0411/0.1114, and 0.0342/0.0786 for Yb(2)Ga(4)Ge(6), Yb(3)Ga(4)Ge(6), and Eu(3)Ga(4)Ge(6), respectively. The structures of these two families of compounds can be described by a Zintl concept of bonding, in which the three-dimensional [Ga(4)Ge(6)](n-) framework serves as a host and electron sink for the electropositive RE atoms. The structural relation of RE(3)Ga(4)Ge(6) to of Yb(2)Ga(4)Ge(6) lies in a monoclinic distortion of the orthorhombic cell of Yb(2)Ga(4)Ge(6) and reduction of the [Ga(4)Ge(6)] network by two electrons per formula unit. The results of theoretical calculations of the electronic structure, electrical transport data, and thermochemical and magnetic measurements are also reported.
Broad-band uniplanar hybrid-ring and branch-line couplers (1993)

Novel uniplanar 180 degrees and 190 degrees hybrids suitable for MIC and MMIC applications are described. The uniplanar crossover hybrid-ring coupler using a coplanar waveguide (CPW) and slotline provides substantially improved amplitude and phase characteristics over a broad bandwidth compared to conventional microstrip hybrid-ring couplers. Experimental results show that the new coupler has a bandwidth of more than one octave from 2 GHz to 4 GHz with a +or-0.4-dB power dividing balance and a +or-1 degrees phase balance. A uniplanar two-branch directional coupler using a coupled rectangular slotline ring has also been developed. CPW-to-slotline transitions using uniform and nonuniform CPWs or slotlines are also discussed. These transitions are uniplanar and simple to fabricate. No via-holes are needed for ground connections, and integration with solid-state devices is easy. A pair of broadband transitions using CPW shorts and slotline radial stubs is demonstrated with a 1-dB bandwidth of more than 5.2:1.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">></ETX>