gebhart/patrepeval huggingface dataset:
Ruffling in a Series of Nickel(II) meso-Tetrasubstituted Porphyrins as a Model for the Conserved Ruffling of the Heme of Cytochromes c (1995)

Metalloporphyrins undergo remarkable nonplanar distortions of the macrocycle that perturb the chemical and photochemical properties of these important protein cofactors. Further, the tertiary structure of the surrounding protein can manipulate these distortions as a means of regulating biological function. For cytochromes c, for example, an energetically unfavorable, conserved nonplanar distortion of the heme exists and likely plays a role in its electrontransfer function. The heme distortion is primarily of the ruffling (ruf) type (corresponding to the lowest frequency B1u-symmetry normal mode) in which the pyrroles are twisted about the metal–Npyrrole bond. This B1u-symmetry nonplanar distortion is commonly observed in metalloporphyrin crystal structures, as are the saddling (sad) B2u-symmetry distortion, waving (wav) Eg-symmetry distortions, and doming (dom) A2u-symmetry distortion. Each of these nonplanar distortions is expected to result in unique alterations of the chemical and physical properties of the nominally planar porphyrin macrocycle. Symmetrical porphyrin substitution with tetrahedrally bonded atoms at the four meso bridging carbons generally results in the B1u ruffling distortion; therefore, we investigated a series of meso-tetrasubstituted porphyrins for which the substituents vary in size (methyl, ethyl, propyl, pentyl, isopropyl, cyclopropyl derivative 11a, cyclohexyl, apopinenyl (10), tert-butyl, adamantyl), increasing the steric crowding at the periphery. Molecular mechanics calculations show increasing degree of ruffling (CαNNCα angle for opposite pyrroles varies from 0 to 57°) for this series of porphyrins, generally agreeing with the X-ray structures that are available. In addition, the frequencies of the structure-sensitive Raman lines decrease nonlinearly with increasing ruffling angle. The localization of the B1u nonplanar distortion in only the Cα-Cm bond torsion (not the case for the B2u sad distortion) suggests a means by which the B1u distortion might be distinguished from other types of nonplanar distortion by using resonance Raman spectroscopy. Also, the size of the red shifts in the π → π* absorption bands depends on Cα–Cm torsion angle in a nonlinear fashion and the shift is accurately predicted by INDO/s molecular orbital calculations when the nonplanar structures obtained from molecular mechanics are used. © 1995, American Chemical Society. All rights reserved.
Balancing via Generation for Multi-Class Text Classification Improvement (2020)

Data balancing is a known technique for improving the performance of classification tasks. In this work we define a novel balancing-viageneration framework termed BalaGen. BalaGen consists of a flexible balancing policy coupled with a text generation mechanism. Combined, these two techniques can be used to augment a dataset for more balanced distribution. We evaluate BalaGen on three publicly available semantic utterance classification (SUC) datasets. One of these is a new COVID-19 Q&A dataset published here for the first time. Our work demonstrates that optimal balancing policies can significantly improve classifier performance, while augmenting just part of the classes and under-sampling others. Furthermore, capitalizing on the advantages of balancing, we show its usefulness in all relevant BalaGen framework components. We validate the superiority of BalaGen on ten semantic utterance datasets taken from real-life goaloriented dialogue systems. Based on our results we encourage using data balancing prior to training for text classification tasks.
Universal-stability results and performance bounds for greedy contention-resolution protocols (2001)

In this paper, we analyze the behavior of packet-switched communication networks in which packets arrive dynamically at the nodes and are routed in discrete time steps across the edges. We focus on a basic adversarial model of packet arrival and path determination for which the time-averaged arrival rate of packets requiring the use of any edge is limited to be less than 1. This model can reflect the behavior of connection-oriented networks with transient connections (such as ATM networks) as well as connectionless networks (such as the Internet). We concentrate on greedy (also known as work-conserving) contention-resolution protocols. A crucial issue that arises in such a setting is that of stability —will the number of packets in the system remain bounded, as the system runs for an arbitrarily long period of time? We study the universal stability of network (i.e., stability under all greedy protocols) and universal stability of protocols (i.e., stability in all networks). Once the stability of a system is granted, we focus on the two main parameters that characterize its performance: maximum queue size required and maximum end-to-end delay experienced by any packet. Among other things, we show: (i) There exist simple greedy protocols that are stable for all networks. (ii) There exist other commonly used protocols (such as FIFO) and networks (such as arrays and hypercubes) that are not stable. (iii) The n -node ring is stable for all greedy routing protocols (with maximum queue-size and packet delay that is linear in n ). (iv) There exists a simple distributed randomized greedy protocol that is stable for all networks and requires only polynomial queue size and polynomial delay. Our results resolve several questions posed by Borodin et al., and provide the first examples of (i) a protocol that is stable for all networks, and (ii) a protocol that is not stable for all networks.
Synchronization in monkey visual cortex analyzed with an information-theoretic measure (2008)

We apply an information-theoretic measure for phase synchrony to local field potentials (LFPs) [corrected] recorded with a multi-electrode array implanted in area V4 of the monkey visual cortex. We show for the first time statistically significant stimulus-dependent synchrony of the visual cortical LFPs and this during different, short time intervals of the response. Furthermore, we could compute waves of synchronous activity over the array and correlate their timing with the stimulus-dependent difference in synchrony [corrected]
Surface-Mediated Reactions. 4. Hydrohalogenation of Alkynes (1994)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSurface-Mediated Reactions. 4. Hydrohalogenation of AlkynesPaul J. Kropp and Scott D. CrawfordCite this: J. Org. Chem. 1994, 59, 11, 3102–3112Publication Date (Print):June 1, 1994Publication History Published online1 May 2002Published inissue 1 June 1994https://pubs.acs.org/doi/10.1021/jo00090a031https://doi.org/10.1021/jo00090a031research-articleACS PublicationsRequest reuse permissionsArticle Views2082Altmetric-Citations82LEARN 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
A Pilot Study of <i>Rhodiola rosea</i> (Rhodax <sup>®</sup> ) for Generalized Anxiety Disorder (GAD) (2008)

Background: Rhodiola rosea is an herbal supplement that many in the general population in Russia and elsewhere in the world have used for decades to alleviate everyday anxiety, depression, and insomnia. Whether R. rosea is effective in reducing similar symptoms in clinical samples is unknown. The goal of this pilot study was to evaluate whether R. rosea is effective in reducing symptoms of generalized anxiety disorder (GAD). Method: Ten (10) participants with a DSM-IV diagnosis of GAD, recruited from the UCLA Anxiety Disorders Program and between the ages of 34 and 55, were enrolled in this study from November 2005 to May 2006. Participants received a total daily dose of 340 mg of R. rosea extract for 10 weeks. Assessments included the Hamilton Anxiety Rating Scale (HARS), the Four-Dimensional Anxiety and Depression Scale, and the Clinical Global Impressions of Severity/Improvement Scale. Results: Individuals treated with R. rosea showed significant decreases in mean HARS scores at endpoint (t = 3.27, p = 0.01). Adverse events were generally mild or moderate in severity, the most common being dizziness and dry mouth. Conclusions: Significant improvement in GAD symptoms was found with R. rosea, with a reduction in HARS scores similar to that found in clinical trials. These preliminary findings warrant further exploration of treatment with R. rosea in clinical samples.
Crystallization of Synthetic Coal−Petcoke Slag Mixtures Simulating Those Encountered in Entrained Bed Slagging Gasifiers<sup>†</sup> (2009)

Commercial entrained bed slagging gasifiers use a carbon feedstock of coal, petcoke, or combinations of them to produce CO and H2. These carbon sources contain mineral impurities that liquefy during gasification and flow down the gasification sidewall, interacting with the refractory linear and solidifying in the cooler zones of the gasifier. Proper slag flow is critical to good gasifier operation. A hot-stage confocal scanning laser microscope (CSLM) was used to analyze the kinetic behavior of slag crystallization for a range of synthetic coal−petcoke mixtures. On the basis of the observed precipitation during cool down studies in the 1200−1700 °C temperature range, a time−temperature-transformation (TTT) diagram was created. The crystallization studies were conducted with a CO/CO2 (=1.8) corresponding to a gasification PO2 of approximately 10−8 atm at 1500 °C. Ash chemistries were chosen such that they correspond to coal−petcoke feedstock mixtures with coal ash amounts of 0, 10, 30, 50, 70, and 100% (by weight), with the balance being petcoke ash. The TTT diagram exhibited two crystallization areas, one above and one below 1350 °C. At the nose of the higher temperature curves, karelianite (V2O3) crystallization occurred and was fastest for a 30% coal−petcoke ash mixture. The second nose was located below 1350 °C and had spinel-type phases that formed at 1200 °C, in which preferred atomic occupation at the octahedral and tetrahedral sites varied depending upon the ash composition. At 1200 °C, an Al-rich spinel formed for 100% coal slag and a Fe-rich spinel formed in petcoke-enriched slags. The addition of petcoke ash to coal ash promoted crystallization in the slag, with additional crystalline phases, such as V-rich spinel, forming at the lower temperatures. These phases were not predicted using commercially available databases.
The Role of Platelets in Atherothrombosis (2011)

Abstract Platelets have evolved highly specialized adhesion mechanisms that enable cell-matrix and cell-cell interactions throughout the entire vasculature irrespective of the prevailing hemodynamic conditions. This unique property of platelets is critical for their ability to arrest bleeding and promote vessel repair. Platelet adhesion under conditions of high shear stress, as occurs in stenotic atherosclerotic arteries, is central to the development of arterial thrombosis; therefore, precise control of platelet adhesion must occur to maintain blood fluidity and to prevent thrombotic or hemorrhagic complications. Whereas the central role of platelets in hemostasis and thrombosis has long been recognized and well defined, there is now a major body of evidence supporting an important proinflammatory function for platelets that is linked to host defense and a variety of autoimmune and inflammatory diseases. In the context of the vasculature, experimental evidence indicates that the proinflammatory function of platelets can regulate various aspects of the atherosclerotic process, including its initiation and propagation. The mechanisms underlying the proatherogenic function of platelets are increasingly well defined and involve specific adhesive interactions between platelets and endothelial cells at atherosclerotic-prone sites, leading to the enhanced recruitment and activation of leukocytes. Through the release of chemokines, proinflammatory molecules, and other biological response modulators, the interaction among platelets, endothelial cells, and leukocytes establishes a localized inflammatory response that accelerates atherosclerosis. These inflammatory processes typically occur in regions of the vasculature experiencing low shear and perturbed blood flow, a permissive environment for leukocyte-platelet and leukocyte-endothelial interactions. Therefore, the concept has emerged that platelets are a central element of the atherothrombotic process and that future therapeutic strategies to combat this disease need to take into consideration both the prothrombotic and proinflammatory function of platelets.
Hardware/Software Codesign: The Past, the Present, and Predicting the Future (2012)

Hardware/software codesign investigates the concurrent design of hardware and software components of complex electronic systems. It tries to exploit the synergy of hardware and software with the goal to optimize and/or satisfy design constraints such as cost, performance, and power of the final product. At the same time, it targets to reduce the time-to-market frame considerably. This paper presents major achievements of two decades of research on methods and tools for hardware/software codesign by starting with a historical survey of its roots, by highlighting its major research directions and achievements until today, and finally, by predicting in which direction research in codesign might evolve in the decades to come.
The use of a soft tissue expander in an alveolar bone ridge augmentation for implant placement. (1998)

A narrow mandibular posterior alveolar ridge was modified by the use of a soft tissue expander to generate adequate tissue for graft coverage. The principles of osteoperiosteal flaps were combined with guided bone regeneration techniques for an optimum amount of bone at the site.
The olecranon sled—a new device for fixation of fractures of the olecranon: A mechanical comparison of two fixation methods in cadaver elbows (2006)

The olecranon sled appears to provide as stable fixation as tension band wiring for olecranon fractures.
Thermal Boundary Resistance Measurements for Phase-Change Memory Devices (2009)

<para xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"> Thermal interfaces play a key role in determining the programming energy of phase-change memory (PCM) devices. This letter reports the picosecond thermoreflectance measurements of thermal boundary resistance (TBR) at TiN/GST and Al/TiN interfaces, as well as the intrinsic thermal conductivity measurements of fcc GST between 30 <formula formulatype="inline"><tex Notation="TeX">$^{\circ}\hbox{C}$</tex></formula> and 325 <formula formulatype="inline"><tex Notation="TeX">$^{ \circ}\hbox{C}$</tex></formula>. The TiN/GST TBR decreases with temperature from <formula formulatype="inline"><tex Notation="TeX"> $\sim\!\!\hbox{26}$</tex></formula> to <formula formulatype="inline"><tex Notation="TeX">$\sim\!\!\hbox{18}\ \hbox{m}^{2}\cdot \hbox{K/GW}$</tex></formula>, and the Al/TiN ranges from <formula formulatype="inline"><tex Notation="TeX">$\sim$</tex></formula>7 to 2.4 <formula formulatype="inline"><tex Notation="TeX">$\hbox{m}^{2}\cdot\break\hbox{K/GW}$</tex></formula>. A TBR of 10 <formula formulatype="inline"><tex Notation="TeX">$\hbox{m}^{2}\cdot\hbox{K/GW}$</tex></formula> is equivalent in thermal resistance to <formula formulatype="inline"><tex Notation="TeX">$\sim$</tex></formula>192 nm of TiN. The fcc GST conductivity increases with temperature between <formula formulatype="inline"><tex Notation="TeX">$\sim$</tex></formula>0.44 and 0.59 W/m/K. A detailed understanding of TBR is essential for optimizing the PCM technology. </para>
On Maser Rate Equations and Transient Oscillations (1963)

Masers exhibit interesting transient behavior that cannot be completely understood on the basis of the rate equations. The use of the rate equations in most transient analyses is usually justified on a more or less intuitive basis and the implied assumptions are not always clear. In this paper, the macroscopic maser rate equations are derived systematically from the Boltzmann equation for the density matrix of the atomic systems and Maxwell's equations for the radiation fields. When the coherence linewidth (T2−1) of the atomic systems is much larger than the cavity linewidth and the natural linewidth (T1−1) of the atomic emission, and with a WKB approximation, in the lowest order of approximation one obtains the two widely used, coupled first-order nonlinear rate equations of Statz and deMars. On the other hand, if the cavity linewidth is much larger than the atomic linewidths (T1−1 and T2−1), one can use the so-called ``reaction-field principle'' of Anderson and obtain, again, two coupled first-order rate equations; however, only one of the equations is nonlinear. The ranges of validity of both approaches are discussed in some detail.
The <i>Trail Smelter</i> Dispute [Abridged] (2006)

The Trail Smelter Dispute covered a period of thirteen years from 1928 to 1941. It arose out of the operation by the Consolidated Mining and Smelting Company of Canada, Limited, of a smelter at Trail, British Columbia, on the Columbia River about eleven miles from the international boundary. In roasting sulphur-bearing ores, sulphur dioxide gas was wasted into the air. When the air drift was down the valley, the smoke cloud containing the sulphur dioxide crossed the boundary in sufficient strength to cause damage in the State of Washington. In 1925 and 1926, the output of the smelter was increased and more sulphur dioxide was wasted into the air. By reason of the conformation of the valley and the atmospheric conditions prevalent, it was carried across the boundary into the State of Washington. It was common ground that some damage was caused in the years 1926 to 1930.
Electrospraying and Electrospinning of Polymers for Biomedical Applications. Poly(Lactic-Co-Glycolic Acid) and Poly(Ethylene-Co-Vinylacetate) (2000)

Significant opportunities exist for the processing of polymers (homopolymers and blends) using electric fields. Specific attention is given here to electrospinning, but we note that electroaerosol formation and field-modulated film casting represent additional processing options. Of particular interest is the ability to generate polymer fibers of sub-micron dimensions using electrospinning, down to about 0.05 microns (50 nm), a size range that has been traditionally difficult to access. In our work, poly(lactic-co-glycolic acid), PLA/PGA, poly(lactic acid) PLA, and poly(ethylene-co-vinylacetate) (PEVA) have been deposited from solutions in methylene chloride or chloroform by electrospraying or electrospinning to afford morphologically tailored materials for tissue engineering and related applications. Low solution concentrations tend to favor electrostatic spraying ('electro-aerosolization') while higher concentrations lead to spinning on fibrous mats. Preliminary observations of muscle cell growth on PLA electrospun mats are reported.
Benzylation of N-phenyl-2-phenylacetamide under microwave irradiation (2008)

N-Phenyl-2-phenylacetamide was alkylated with benzyl chloride in the presence of powdered potassium hydroxide under microwave irradiation in a solvent-free system. The reactions were also performed in the presence of phase-transfer catalysts. The formation of N-, O- and C-products of alkylation was followed by gas chromatography. The N-product was found to be the main product under microwave irradiation. The O-product was obtained in higher yields when an excess of base and benzyl chloride was used.
Growth of Multicell Spheroids in Tissue Culture as a Model of Nodular Carcinomas<xref ref-type="fn" rid="FN2">2</xref> (1971)

Journal Article Growth of Multicell Spheroids in Tissue Culture as a Model of Nodular Carcinomas Get access Robert M. Sutherland, Robert M. Sutherland The Ontario Cancer Treatment and Research Foundation, London Clinic, and the Departments of Therapeutic Radiology and Surgery, University of Western Ontario, London, Ontario, Canada Search for other works by this author on: Oxford Academic PubMed Google Scholar John A. McCredie, John A. McCredie The Ontario Cancer Treatment and Research Foundation, London Clinic, and the Departments of Therapeutic Radiology and Surgery, University of Western Ontario, London, Ontario, Canada Search for other works by this author on: Oxford Academic PubMed Google Scholar W. Rodger Inch W. Rodger Inch The Ontario Cancer Treatment and Research Foundation, London Clinic, and the Departments of Therapeutic Radiology and Surgery, University of Western Ontario, London, Ontario, Canada Search for other works by this author on: Oxford Academic PubMed Google Scholar JNCI: Journal of the National Cancer Institute, Volume 46, Issue 1, January 1971, Pages 113–120, https://doi.org/10.1093/jnci/46.1.113 Published: 01 January 1971 Article history Received: 29 June 1970 Accepted: 28 September 1970 Published: 01 January 1971
Design, Synthesis, and Activity of 2,6-Diphenoxypyridine-Derived Factor Xa Inhibitors (1999)

A novel series of 2,6-diphenoxypyridines has been designed to inhibit factor Xa, a serine protease strategically located in the coagulation cascade. The evolution from the photochemically unstable bisamidine (Z,Z)-BABCH to potent bisamidine compounds with a pyridine heterocycle as the core scaffold has been achieved. The most potent compound in the series, 6h, has a Ki for human factor Xa of 12 nM. The selectivity of 6h against bovine trypsin and human thrombin was greater than 90- and 1000-fold, respectively. Two proposed modes of binding of 6h to factor Xa are made based on the crystal structures of 6h by itself and of 6h bound to bovine trypsin.