gebhart/patrepeval huggingface dataset:
Palladium‐Catalyzed Ring‐Expansion Reaction of Indoles with Alkynes: From Indoles to Tetrahydroquinoline Derivatives Under Mild Reaction Conditions (2010)

A cut and shut job: The highly selective title reaction proceeds, using O2 as the oxidant, to afford tetrahydroquinoline derivatives. This chemistry offers a new approach to polysubstituted 4,5-dihydrocyclopenta[c]quinolines, and also valuable mechanistic insight into this ring-expansion reaction. Detailed facts of importance to specialist readers are published as ”Supporting Information”. Such documents are peer-reviewed, but not copy-edited or typeset. They are made available as submitted by the authors. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.
A Delay-Locked Loop for Multiple Clock Phases/Delays Generation (2005)

A Delay-Locked Loop (DLL) for the generation of multiple clock phases/delays is proposed. Several new techniques are used to help enhance the DLLs performance, specifically, to achieve wide lock range, short locking time, and reduced jitter. The DLL can be used for a variety of applications which require precise time intervals or phase shifts. The phase detector (PD), charge pump (CP), and voltage-controlled delay line (VCDL) are the three most important blocks in a DLL. In our research, we have proposed a novel structure which integrates the functionality of both the PD and CP. By using this structure, a fast switching speed can be achieved. Moreover, the combined PD and CP also lead to reduced chip area and better jitter performance. A novel phase detection algorithm is developed and implemented in the combined PD and CP structure. This algorithm also involves a start-control circuit to avoid locking failure or false lock to harmonics. With the help of this algorithm, the proposed DLL is able to achieve lock as long as the minimum VCDL delay is less than one reference clock cycle, which is the largest possible lock range that can be achieved by the DLL. The VCDL uses fully differential signaling to minimize jitter. The delay stage of the VCDL is built with a differential topology using symmetrical loads and replica-feedback biasing, which provides a low sensitivity to supply and substrate noise as well as a wide tuning range. In addition, a shift-averaging technique is used to improve the matching between delay stages and thus to equalize the delay of each individual stage.
Granulated phase changing composite for energy storage (2004)

The porous materials and organic phase-changing materials were selected to fabricate a granulated phase-changing composite for energy storage. The energy-storing performance, durability and heat insulation of this composite were studied. The results show that organic phase-changing materials can penetrate into the porous space of pore diameters from sub-micrometers to several hundreds micrometers, and occupy major part of the porous space. The resulting composite exhibits outstanding energy-storing performance and good durability. The phase-changing behavior is influenced by the volume fraction of organic phase-changing materials and the porous structure. The energy saving performance of the composite for building is superior to that of expanded pearlite.
Structural Studies on the PH Domains of Dbl, Sos1, IRS-1, and .beta.ARK1 and Their Differential Binding to G.beta..gamma. Subunits (1995)

Pleckstrin homology (PH) domains are approximately 110 amino acid residues in length and are structurally conserved in a number of intracellular signaling proteins. A role for these domains has been postulated for beta ARK, which binds to G beta gamma subunits. We have quantified the binding of individual (His)6-tag PH domains of human Db1, human Sos1, rat IRS-1, human beta ARK, and human beta ARK with an extra 33-residue C-terminal extension (beta ARK + C) to G beta gamma subunits. Our in vitro binding studies show that all of the PH domains (apart from Sos1), bind G beta gamma subunits in a dose-dependent manner, but beta ARK + C binds 4 times as much G beta gamma at saturation as the others. The IRS-1 PH domain has a similar half-maximal concentration of G beta gamma binding (18 nM) to beta ARK + C (30 nM), suggesting that the IRS-1 PH domain has sufficient determinants for G beta gamma binding. The beta ARK PH domain alone has a half-maximal value of 45 nM but a drastically reduced extent of G beta gamma binding, suggesting that both the PH domain and the C-terminal 33 residues are necessary for maximal binding. Db1 has a half-maximum concentration of G beta gamma binding of 45 nM and a maximal extent of binding similar to that of beta ARK, but it is difficult to demonstrate saturable binding of G beta gamma to Sos1. Since it was previously predicted that the C-terminal PH domain of Pleckstrin [Tyers, M., et al. (1988) Nature 333, 470-473] contains a potential calcium binding site, we have tested the different PH domains for calcium binding. Only the PH domain of Db1 bound 45Ca2+ with a Kd of 10 microM. CD spectroscopy of the purified recombinant PH domains indicated that they are predominantly beta-sheet structures.(ABSTRACT TRUNCATED AT 250 WORDS)
Social VR: A New Medium for Remote Communication and Collaboration (2020)

There is a growing need for effective remote communication, which has many positive societal impacts, such as reducing environmental pollution and travel costs, supporting rich collaboration by remotely connecting talented people. Social Virtual Reality (VR) invites multiple users to join a collaborative virtual environment, which creates new opportunities for remote communication. The goal of social VR is not to completely replicate reality, but to facilitate and extend the existing communication channels of the physical world. Apart from the benefits provided by social VR, privacy concerns and ethical risks are raised when the boundary between the real and the virtual world is blurred. This workshop is intended to spur discussions regarding technology, evaluation protocols, application areas, research ethics and legal regulations for social VR as an emerging immersive remote communication tool.
Direct Mechanism of OH Radicals Formation in PEM Fuel Cells (2008)

The generation of hydroxyl and/or peroxyl (•OOH) radicals on fuel cell catalysts has direct consequences for the durability of the polymer electrolyte membrane. Whether radical generation occurs from hydrogen peroxide decomposition vs. direct generation on the Pt catalyst surface is of key interest. Ab initio calculations were performed with Gaussian software employing both cluster models of a platinum surface, as well as single / double Pt atom ensembles. Although complete four-electron reduction to water on Pt is desired, hydrogen peroxide is also formed at potentials below 0.6 Vrhe. In this work, we show that the main pathway of H2O2 formation on platinum involves the •OH free radical as an intermediate. •OH radicals may be released from the Pt surface either by dissociation of the adsorbed OOH intermediate at high potentials or by dissociation of one-site adsorbed peroxide intermediate at low potentials. Adsorptio n of hydrogen peroxide transported to the Pt surface to achieve this state, though possible, is unfavored. These results indicate that the direct formation of hydroxyl radicals on Pt surfaces is possible under certain conditions and need not proceed through a peroxide intermediate.
Induction of DNA Replication by Transcription in the Region Upstream of the Human c-<i>myc</i> Gene in a Model Replication System (1996)

An important relationship between transcription and initiation of DNA replication in both eukaryotes and prokaryotes has been suggested. In an attempt to understand the molecular mechanism of this interaction, we examined whether transcription can induce DNA replication in vitro by constructing a system in which both replication and transcription were combined. Relaxed circular DNA possessing a replication initiation zone located upstream of the human c-myc gene and a T7 promoter near the P1 promoter of the gene was replicated in the presence of T7 RNA polymerase. In our model system, replication was carried out with the proteins required for simian virus 40 DNA replication. DNA synthesis, which was dependent on both T7 RNA polymerase and the replication proteins, was detected mainly in the promoter and upstream regions of the c-myc gene. Blocking RNA synthesis at the initial stage of the reaction severely reduced DNA synthesis, suggesting that RNA chain elongation is required to induce DNA synthesis. The results indicated that transcription can induce DNA replication in the upstream region of the transcribed gene, most likely by introducing negative supercoiling into the region, which results in unwinding of the DNA duplex.
Understanding Parkinson's disease: an update on current diagnostic and treatment strategies. (2006)

Diagnosis of PD can be difficult in elderly patients because some of the key PD symptoms also may be manifestations of normal aging. Asymmetrical symptom onset, resting tremor,and sustained response to levodopa are key features that suggest a diagnosis of PD. For most patients, PD progresses fairly slowly. The goal of treatment is to control symptoms, thereby allowing quality of life and functional ability to be maintained. Pharmacologic therapies are primarily targeted at stimulating dopaminergic receptors, either by increasing the levels of dopamine or by using dopamine agonists. Levodopa, the main therapy for PD and a precursor of dopamine, has a short half-life and is quickly metabolized.Accordingly, decarboxylase inhibitors, like carbidopa, are almost always administered with levodopa to prevent breakdown in the periphery. Catechol-O-methyltransferase (COMT)inhibitors, which increase dopamine levels by inhibiting the metabolism of levodopa and dopamine, recently have become available, including a tablet containing carbidopa, levodopa,and entacapone. Other pharmaceutical therapies for PD include dopamine agonists, monoamine oxidase-B (MAO-B) inhibitors, anticholinergic agents, and amantadine. Dopamine agonists, anticholinergic agents, and amantadine are associated with an increased risk of hallucinations or other adverse events in elderly patients; therefore, use of these should be avoided in this population. Surgical management, particularly deep brain stimulation(DBS), is an option for patients who are refractory to pharmaceutical therapy. Although patients may not need levodopa as an initial treatment, over time most patients will require this drug to control symptoms. With chronic levodopa therapy, patients ultimately experience a wearing off in levodopa response and other motor complications. Management of wearing off is a significant challenge in the treatment of patients with advanced PD.
The nonsteroidal anti-inflammatory drug sulindac causes down-regulation of signal transducer and activator of transcription 3 in human oral squamous cell carcinoma cells. (2002)

The nonsteroidal anti-inflammatory drug sulindac exerts a significant antineoplastic effect on several types of human cancers including oral squamous cell carcinoma (SCCa). Because constitutive activation of signal transducer and activator of transcription 3 (Stat3) has been linked to carcinogenesis of various tumors including head and neck SCCa, we studied whether sulindac treatment affects the Stat3 signaling pathway in oral SCCa cells. Western blot experiments showed that short-term treatment of cells with sulindac resulted in a large reduction of phosphorylated Stat3, without significantly affecting Stat3 protein levels. In contrast, 3 days of sulindac treatment eliminated both phosphorylated and unphosphorylated Stat3 protein levels. Also, sulindac treatment exerted a significant time-dependent cell growth-inhibitory effect on oral SCCa cells under the same conditions shown to induce Stat3 down-modulation. The sulfone metabolite of sulindac, which lacks cyclooxygenase-inhibitory activity, did not affect either Stat3 expression or Stat3 phosphorylation. Antisense oligonucleotide treatment against peroxisome proliferator-activated receptor gamma did not attenuate the ability of sulindac to down-regulate Stat3. Our results suggest that down-modulation of Stat3 can be induced by sulindac treatment, thus possibly contributing to the antineoplastic effect of this drug.
Predicting user mental states in spoken dialogue systems (2011)

In this paper we propose a method for predicting the user mental state for the development of more efficient and usable spoken dialogue systems. This prediction, carried out for each user turn in the dialogue, makes it possible to adapt the system dynamically to the user needs. The mental state is built on the basis of the emotional state of the user and their intention, and is recognized by means of a module conceived as an intermediate phase between natural language understanding and the dialogue management in the architecture of the systems. We have implemented the method in the UAH system, for which the evaluation results with both simulated and real users show that taking into account the user's mental state improves system performance as well as its perceived quality.
Reactive transport codes for subsurface environmental simulation (2014)

A general description of the mathematical and numerical formulations used in modern numerical reactive transport codes relevant for subsurface environmental simulations is presented. The formulations are followed by short descriptions of commonly used and available subsurface simulators that consider continuum representations of flow, transport, and reactions in porous media. These formulations are applicable to most of the subsurface environmental benchmark problems included in this special issue. The list of codes described briefly here includes PHREEQC, HPx, PHT3D, OpenGeoSys (OGS), HYTEC, ORCHESTRA, TOUGHREACT, eSTOMP, HYDROGEOCHEM, CrunchFlow, MIN3P, and PFLOTRAN. The descriptions include a high-level list of capabilities for each of the codes, along with a selective list of applications that highlight their capabilities and historical development.
On the role of the platelet membrane skeleton in mediating signal transduction. Association of GP IIb-IIIa, pp60c-src, pp62c-yes, and the p21ras GTPase-activating protein with the membrane skeleton. (1993)

The platelet plasma membrane is lined with a membrane skeleton composed of short actin filaments, actin-binding protein, spectrin, vinculin, and other unidentified proteins. It is connected to the outside of the cell through association with the cytoplasmic domains of transmembrane receptors. In detergent-lysed platelets, cytoplasmic actin filaments are sedimented by centrifugation at 15,600 x g, but the sedimentation of membrane skeleton fragments requires higher g-forces (100,000 x g). In the present study, we show that the major platelet integrin, glycoprotein (GP) IIb-IIIa, sediments from detergent-lysed platelets at 100,000 x g together with fragments of the membrane skeleton that contain the cytoskeletal proteins spectrin, vinculin, and talin. In addition, this cell fraction contained the tyrosine kinases pp60c-src and pp62c-yes and the p21ras GTPase-activating protein (GAP). After thrombin-induced platelet aggregation mediated by fibrinogen binding to GP IIb-IIIa on adjacent platelets, we detected a redistribution of spectrin, talin, vinculin, pp60c-src, and pp62c-yes to the fraction that sediments at 15,600 x g. The redistribution of these proteins from the high-speed detergent-insoluble fraction to the low-speed fraction correlated with the extent of aggregation and was not detected in aggregation-defective thrombasthenic platelets (which lack the GP IIb-IIIa complex). In addition, many of the proteins phosphorylated on tyrosine in activated platelets were present in detergent-insoluble fractions. These results are consistent with the possibilities that 1) GP IIb-IIIa, pp60c-src, pp62c-yes, and GAP associate with a membrane skeleton fraction that contains spectrin, vinculin, and talin, 2) the association of GP IIb-IIIa with adhesive ligand in a platelet aggregate causes components of the membrane skeleton to undergo altered association with cytoplasmic actin filaments, and 3) many of the proteins phosphorylated on tyrosine residues in activated platelets are components of the cytoskeleton. The results imply that the membrane skeleton may play an important role in binding signaling molecules at sites of integrin-cytoskeleton interactions and in mediating signal transduction events in platelets. Further, GP IIb-IIIa-induced redistribution of components of the membrane skeleton and associated signaling molecules may represent an important step in regulating integrin-induced motile events in platelets.
One–pot Hydrodehalogenation‐Hydrogenation of Alkenyl Bromides with Nickel Boride: an Easy Access to Di‐ and Trisubstituted Ethanes from Aldehydes (2016)

Abstract A simple and efficient procedure for the one‐pot hydrodebromination‐hydrogenation of substituted 1‐bromo‐1‐alkenes to give the related ethanes by the pair NiCl 2 ⋅ 6H 2 O and NaBH 4 (nickel boride) in THF‐methanol at room temperature is reported. This unexplored functional group conversion allows completing advantageously the process leading aldehydes into different types 1,2‐disubstituted ethanes.
Structure of Asparagamine A, a Novel Polycyclic Alkaloid from Asparagus racemosus. (1994)

A new cage-type alkaloid, asparagamine A (1), was isolated from the roots of Asparagus racemosus Willd. (Liliaceae). The relative stereostructure was elucidated by spectroscopic, chemical and single crystal X-ray analyses as a novel polycyclic pyrrolizidine derivative.
MINIREVIEW: Perspectives on plasmid‐based gene therapy: challenges for the product and the process (2003)

Clinical trials for gene-therapy products began in the 1990s. Currently, most of the 630 completed or on-going trials are in Phase I and II. Because of the safety issues surrounding the use of viral vectors, approx. 25% of the ongoing clinical trials use DNA plasmids to carry the corrective gene (http://www.wiley.co.uk/genmed). The purpose of this perspective (and this issue) is to highlight some of the unique technical challenges and potential solutions associated with the manufacture and expression of a plasmid-based gene-therapy product.
Metabolic energy and muscular activity required for leg swing in running (2005)

The metabolic cost of leg swing in running is highly controversial. We investigated the cost of initiating and propagating leg swing at a moderate running speed and some of the muscular actions involved. We constructed an external swing assist (ESA) device that applied small anterior pulling forces to each foot during the first part of the swing phase. Subjects ran on a treadmill at 3.0 m/s normally and with ESA forces up to 4% body weight. With the greatest ESA force, net metabolic rate was 20.5% less than during normal running. Thus we infer that the metabolic cost of initiating and propagating leg swing comprises approximately 20% of the net cost of normal running. Even with the greatest ESA, mean electromyograph (mEMG) of the medial gastrocnemius and soleus muscles during later portions of stance phase did not change significantly compared with normal running, indicating that these muscles are not responsible for the initiation of leg swing. However, with ESA, rectus femoris mEMG during the early portions of swing phase was as much as 74% less than during normal running, confirming that it is responsible for the propagation of leg swing.
Applying regression test selection for COTS-based applications (2006)

ABB incorporates a variety of commercial-off-the-shelf (COTS) components in its products. When new releases of these components are made available for integration and testing, source code is often not provided. Various regression test selection processes have been developed and have been shown to be cost effectiveness. However, the majority of these test selection techniques rely on access to source code for change identification. In this paper we present the application of the lightweight Integrated - Black-box Approach for Component Change Identification (I-BACCI) Version 3 process that select regression tests for applications that use COTS components. Two case studies, examining a total of nine new component releases, were conducted at ABB on products written in C/C++ to determine the effectiveness of I-BACCI. The results of the case studies indicate this process can reduce the required number of regression tests at least 70% without sacrificing the regression fault exposure.
The Pseudomonas aeruginosa RhlA enzyme is involved in rhamnolipid and polyhydroxyalkanoate production (2005)

Pseudomonas aeruginosa produces the biosurfactant rhamnolipid, which has several potential biotechnological applications. The synthesis of this surfactant is catalyzed by rhamnosyltransferase 1, composed of the proteins RhlA and RhlB. Here we report that RhlA plays a role not only in surfactant synthesis, but also in the production of polyhydroxyalkanoates, polymers that can be used for the synthesis of biodegradable plastics.
Self-phase modulation enabled, wavelength-tunable ultrafast fiber laser sources: an energy scalable approach (2016)

We propose and demonstrate a new approach to implement a wavelength-tunable ultrafast fiber laser source suitable for multiphoton microscopy. We employ fiber-optic nonlinearities to broaden a narrowband optical spectrum generated by an Yb-fiber laser system and then use optical bandpass filters to select the leftmost or rightmost spectral lobes from the broadened spectrum. Detailed numerical modeling shows that self-phase modulation dominates the spectral broadening, self-steepening tends to blue shift the broadened spectrum, and stimulated Raman scattering is minimal. We also find that optical wave breaking caused by fiber dispersion slows down the shift of the leftmost/rightmost spectral lobes and therefore limits the wavelength tuning range of the filtered spectra. We show both numerically and experimentally that shortening the fiber used for spectral broadening while increasing the input pulse energy can overcome this dispersion-induced limitation; as a result, the filtered spectral lobes have higher power, constituting a powerful and practical approach for energy scaling the resulting femtosecond sources. We use two commercially available photonic crystal fibers to verify the simulation results. More specific, use of 20-mm fiber NL-1050-ZERO-2 enables us to implement an Yb-fiber laser based ultrafast source, delivering femtosecond (70-120 fs) pulses tunable from 825 nm to 1210 nm with >1 nJ pulse energy.
Giant Cyclo[<i>n</i>]thiophenes with Extended π Conjugation (2009)

Dual roles and nanorings: A new family of cyclic oligothiophenes with up to 35 thiophene units is synthesized by using platinum complexes in a dual role as template and as reactive center. The ease of ionization and aggregation of the new compounds indicates that they have promising properties for use as organic electronic materials of increased structural complexity.
Some Factors Affecting Fabrication and High-temperature Strength of Molybdenum Disilicide (1952)

Report presenting an investigation of the properties of molybdenum disilicide in which a fine-grain material and a large-grain material were produced using different methods. Results regarding the fine-particle sintered material, coarse-grain, hot-pressed material, a comparison of the two materials, and the effect of oxygen on sintering and mechanical properties are provided.