gebhart/patrepeval huggingface dataset:
Carbon monofluoride. Evidence for a structure containing an infinite array of cyclohexane boats (1974)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTCarbon monofluoride. Evidence for a structure containing an infinite array of cyclohexane boatsL. B. Ebert, J. I. Brauman, and R. A. HugginsCite this: J. Am. Chem. Soc. 1974, 96, 25, 7841–7842Publication Date (Print):December 1, 1974Publication History Published online1 May 2002Published inissue 1 December 1974https://pubs.acs.org/doi/10.1021/ja00832a054https://doi.org/10.1021/ja00832a054research-articleACS PublicationsRequest reuse permissionsArticle Views205Altmetric-Citations65LEARN 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
Free Energy Determinants of Secondary Structure Formation: II. Antiparallel β-Sheets (1995)

The factors that determine the stability of antiparallel beta-sheets are considered via a theoretical analysis of conformational free energies. A series of idealized model polyalanine beta-sheets are built with constraints such that the angular geometry of hydrogen bonding varies in the range observed in proteins while hydrogen bonding distance remains fixed. The conformations of the sheets generated in this way have a broad distribution of twist angles ranging from highly twisted left-handed to highly twisted right-handed orientations. The association free energies of the sheets are calculated with a gas phase CHARMM potential and FDPB/gamma solvation models. Left-handed structures are found to be less stable than right handed structures due to intrachain steric hindrance in isolated left-handed strands. This explains why antiparallel beta-sheets in proteins are invariably twisted in the right-handed direction. The free energy surface for right-handed sheets shows particular preference for conformations ranging from flat to those that exhibit a pronounced right-handed twist. This suggests that antiparallel beta-sheets can adopt a variety of right-handed conformations, a result that is consistent with observations on known proteins. In parallel with our study of alpha-helices we find that van der Waals and hydrophobic interactions are the primary factor stabilizing polyalanine beta-sheets, while electrostatic interactions including hydrogen bonding are found to be destabilizing. However, in contrast to helices, the net change in conformational free energy involving only backbone-backbone interactions (including beta-carbons) is not sufficient to overcome the loss in configurational entropy that accompanies sheet formation. Rather we suggest that cross-strand non-polar side-chain-side-chain interactions are essential for sheet formation, explaining why large non-polar amino acids have the greatest sheet forming propensities. Thus, sheet propensities involve pairwise interactions and are expected to be context dependent, as has been observed in recent experiments.
Techniques for Algorithm Animation (1985)

Allowing a user to interact with dynamically changing graphical representations of algorithms or data structures may help in teaching, research, or systems programming.
Electrodeposition of Oligothiophene-Linked Gold Nanoparticle Films (2004)

The electrodeposition and characterization of conducting thin films of gold nanoparticles bridged with oligothiophene linkers are reported. Gold nanoparticles capped with the conjugated phosphines 5-diphenylphosphino-2,2':5',2' '-terthiophene (dcore = 1.7 ± 0.3 nm) and 5-diphenylphosphino-3',4'-ethylenedioxy-2,2':5',2' '-terthiophene (dcore = 1.8 ± 0.4 nm) have been prepared. Electrochemical oxidation of these particles results in the deposition of thin films consisting of intact nanoparticles linked by oligothiophene moieties, in which the π−π* absorption of both the conjugated linker and the plasmon band are red-shifted relative to individual nanoparticles. Conductivities of both the unlinked and linked particles are measured and the latter are shown to have substantially higher conductivities than unlinked particles or gold nanoparticles linked by saturated alkyl chain linkers.
Distributed self-stabilizing placement of replicated resources in emerging networks (2005)

Emerging large scale distributed networking systems, such as P2P file sharing systems, sensor networks, and ad hoc wireless networks, require replication of content, functionality, or configuration to enact or optimize communication tasks. The placement of these replicated resources can significantly impact performance. We present a novel self-stabilizing, fully distributed, asynchronous, scalable protocol that can be used to place replicated resources such that each node is "close" to some copy of any object. We describe our protocol in the context of a graph with colored nodes, where a node's color indicates the replica/task that it is assigned. Our combination of theoretical results and simulation prove stabilization of the protocol, and evaluate its performance in the context of convergence time, message transmissions, and color distance. Our results show that the protocol generates colorings that are close to the optimal under a set of metrics, making such a protocol ideal for emerging networking systems.
Prediction of the outcome of a phase 3 clinical trial of an antischizophrenic agent (quetiapine fumarate) by simulation with a population pharmacokinetic and pharmacodynamic model (2000)

A completed phase 3 trial result was simulated 100 times on the basis of a simulation model of quetiapine fumarate (Seroquel), an antischizophrenic agent. The simulation was executed by analysts who were completely blinded from results of the actual trial until after the simulations were submitted to the holder of the trial results. Data from two clinical investigations of quetiapine in patients with schizophrenia were analyzed by use of nonlinear mixed effects modeling to derive a population pharmacokinetic- and pharmacodynamic-based simulation model. The time course of quetiapine concentrations was described by use of a one-compartment open linear pharmacokinetic model with first-order absorption and elimination. The combination of an inhibitory maximum effect pharmacodynamic model for the active treatment effect and a linear function of time for the placebo effect characterized the observed time course of change in the Brief Psychiatric Rating Scale. Simulation results were compared with those in the actual trial to evaluate how well the simulations predicted the outcome. The actual trial results for all doses except the placebo group fell within the predicted Brief Psychiatric Rating Scale scores +/- 1 SE. Unlike the phase 2 trial, from which the pharmacokinetic/pharmacodynamic model was developed, the placebo group in the actual phase 3 trial showed deterioration of Brief Psychiatric Rating Scale scores with time. We conclude that variable placebo responses observed in short-term studies of schizophrenia provide an inadequate basis for the modeling and simulation of placebo subjects in clinical trials. Knowledge of the range of placebo response observed in other studies may have provided an improved basis for the placebo effect model. The model for active drug produced adequate predictions of the actual trial outcomes.
Performance of Berseem Clover (<i>Trifolium alexandrinum</i> L.) as a Companion Crop<sup>1</sup> (1965)

Synopsis Berseen clover as a spring‐seeded companion crop was erratic in performance. Some seedings gave good forage yields of clover hay with good establishment of underseeded alfalfa, while annual weeds took over in other seedings. Berseem clover performed better in early spring seedings than in late seedings and better at 20 pounds per acre seeding rate than at 10 or 15 pounds per acre. High temperatures appeared to reduce the growth of clover allowing increased growth of annual weeds. Early spring‐seeded clover harvested for hay at the bud stage contained about 15% crude protein.
2‐Substituted Naphthazarins; Synthesis and Antitumor Activity (1997)

A series of 2-substituted naphthazarin derivatives, 5,8-dihydroxy-1,4-naphthoquinone (DHNQ) derivatives and 5,8-dimethoxy-1,4-naphthoquinone (DMNQ) derivatives, were synthesized, and their cytotoxic activity against some cancer cell lines and antitumor action against S-180 tumor were evaluated. In general, 2-(1-hydroxyalkyl)-DHNQ derivatives showed a higher cytotoxicity than 2-(1-hydroxyalkyl)-DMNQ derivatives, implying a predominant role of redox cycling rather than electrophilicity in cytotoxicity. 2-(1-Alkoxy-4-methylpentyl) or 2-(1-acyloxy-4-methylpentyl) derivatives were produced by alkylation or acylation at the C-1' position of 2-(1-hydroxy-4-methylpentyl)-DHNQ or DMNQ derivatives. Although the cytotoxicity differed according to the size of the alkyl or acyl chain, alkylation or acylation at the C-1' position did not improve the cytotoxicity remarkably, and DHNQ derivatives were still more cytotoxic than DMNQ derivatives. Separately, in vivo testing showed that 2-(1-acyloxyalkyl)-DHNQ derivatives or 2-(1-alkoxyalkyl)-DHNQ derivatives expressed a higher antitumor action than 2-(1-hydroxyalkyl)-DMNQ or -DHNQ derivatives in contrast to the cytotoxicity observations. The total size of two side chains at C-1' seemed to govern the antitumor activity, with 9 to 11 carbon atoms being optimal. Thus, it is suggested that the physical properties as well as the chemical reactivity are to be considered in relation to the antitumor action of 2-substituted naphthazarin compounds.
Elwood Field: ABSTRACT (1966)

This DOI is not currently attached to any metadata records. DOIs can’t actually ever be deleted (they’re persistent), but sometimes our members create DOIs in error. We do have a process to approximate deletion which we follow only in rare cases where the DOI has been genuinely created in error, and most crucially, if the DOI has never been published anywhere online or in print and never otherwise distributed to or communicated with anyone (authors, readers, reviewers, etc.
Adaptive Myriad Filter for Improved Gas Turbine Condition Monitoring Using Transient Data (2005)

The removal of noise and outliers from measurement signals is a major problem in jet engine health monitoring. In this study, we look at the myriad filter as a substitute for the moving average filter that is widely used in the gas turbine industry. The three ideal test signals used in this study are the step signal that simulates a single fault in the gas turbine, while ramp and quadratic signals simulate long term deterioration. Results show that the myriad filter performs better in noise reduction and outlier removal when compared to the moving average filter. Further, an adaptive weighted myriad filter algorithm that adapts to the quality of incoming data is studied. The filters are demonstrated on simulated clean and deteriorated engine data obtained from an acceleration process from idle to maximum thrust condition. This data was obtained from published literature and was simulated using a transient performance prediction code. The deteriorated engine had single component faults in the low pressure turbine and intermediate pressure compressor. The signals are obtained from T2 (IPC total outlet temperature) and T6 (LPT total outlet temperature) engine sensors with their nonrepeatability values that were used as noise levels. The weighted myriad filter shows even greater noise reduction and outlier removal when compared to the sample myriad and a FIR filter in the gas turbine diagnosis. Adaptive filters such as those considered in this study are also useful for online health monitoring, as they can adapt to changes in quality of incoming data.
Islet‐1 expression in the developing chicken inner ear (2004)

The cell types of the inner ear originate from the otic placode, a thickened layer of ectoderm adjacent to the developing hindbrain. The placode invaginates and forms the otic pit, which pinches off as a small vesicle called the otocyst. Presumptive cochleovestibular neurons delaminate from the anterior ventral part of the otocyst and form the cochleovestibular ganglion of the inner ear. Here we show that the LIM/homeodomain protein islet-1 is expressed in cells of the ventral part of the otic placode and that this ventral expression is maintained at the otic pit and the otocyst stages. Auditory and vestibular neurons originate from this islet-1-positive zone of the otocyst, and these neurons maintain islet-1 expression until adulthood. We also demonstrate that islet-1 becomes up-regulated in the presumptive sensory epithelia of the inner ear in regions that are defined by the expression domains of BMP4. The up-regulation of islet-1 in developing inner ear hair and supporting cells is accompanied by down-regulation of Pax-2 in these cell types. Islet-1 expression in hair and supporting cells persists until early postnatal stages, when the transcriptional regulator is down-regulated in hair cells. Our data is consistent with a role for islet-1 in differentiating inner ear neurons and sensory epithelia cells, perhaps in the specification of cellular subtypes in conjunction with other LIM/homeodomain proteins.
Design of propellant acquisition systems for advanced cryogenic space propulsion systems (1973)

This paper presents results of work conducted to expand the technology base and evolve practical propellant surface tension acquisition system designs for future cryogenic space vehicles. Surface tension screen device channel flow analysis and supporting tests showed that reasonable mesh sizes could provide the required retention performance. Integrated subsystem studies and development showed that practical and effective screen surface tension acquisition devices could be designed for typical applications, but that other interfacing feed subsystems are often constrained by the design of the particular acquisition device. These constraints may dominate the total feed system performance.
Bicelles at Low Concentrations (2012)

Bilayered detergent-lipid assemblies known as bicelles have been widely used as model membranes in structural biological studies and are being explored for wider applications, including pharmaceutical use. Most studies to date have involved the use of concentrated bicelle mixtures, such that little is known about the capacity of bicellar mixtures to be diluted without unwanted transitions to nonisotropic phases. Here, different detergent/lipid mixtures have been explored, leading to the identification of two different families of bicelles for which it is possible to lower the total amphiphile (detergent + lipid) concentration to <1% (w/v) while retaining isotropic assemblies. These include a novel family of bicelles based on mixtures of 6-cyclohexyl-1-hexylphosphocholine (Cyclofos-6) and the lipid dimyristoylphosphatidylcholine (DMPC). Bicelles formed by these mixtures can be diluted to <0.5% and also have attractive biochemical properties. However, a caveat of our results is that the diffusion coefficients measured for the lipid component of the different bicelles tested were seen to be dependent on sample history, even though all samples were optically transparent. This suggests that the phase behavior of bicelles at low lipid-to-detergent ratios may be more complex than previously appreciated.
A micro optical flying head for a PCMCIA-sized optical data storage (2004)

A micro optical flying head is presented for high-density PCMCIA-sized small form factor(SFF) optical data storage. It is composed of a high numerical-aperture(NA) objective lens, a micro lens actuator for adjusting the position of the lens to optimize the focal point to the recording layer of an optical disk, and an integrated air-bearing surface for flying over the spinning disk. The overall size of the fabricated micro optical flying head, assembled with high NA(0.85) objective lens, is as small as 3 mm/spl times/1.6 mm/spl times/0.5 mm(in length/spl times/width/spl times/thickness), which makes it suitable for the optical data storage device of mobile applications. Also, a basic operation of a PCMCIA type II optical drive prototype including the micro optical flying head is tested and presented.
The end of time: the next revolution in physics (2000)

The End of Time: The Next Revolution in Physics by Julian Barbour Richard Feynman once quipped that is what happens when nothing else does. But Julian Barbour disagrees: if nothing happened, if nothing changed, then time would stop. For time is nothing but change. It is change that we perceive occurring all around us, not time. Put simply, time does not exist. In this highly provocative volume, Barbour presents the basic evidence for a timeless universe, and shows why we still experience the world as intensely temporal. It is a book that strikes at the heart of modern physics. It casts doubt on Einstein's greatest contribution, the spacetime continuum, but also points to the solution of one of the great paradoxes of modern science, the chasm between classical and quantum physics. Indeed, Barbour argues that the holy grail of physicists--the unification of Einstein's general relativity with quantum mechanics--may well spell the end of time. Barbour writes with remarkable clarity as he ranges from the ancient philosophers Heraclitus and Parmenides, through the giants of science Galileo, Newton, and Einstein, to the work of the contemporary physicists John Wheeler, Roger Penrose, and Steven Hawking. Along the way he treats us to enticing glimpses of some of the mysteries of the universe, and presents intriguing ideas about multiple worlds, time travel, immortality, and, above all, the illusion of motion. The End of Time is a vibrantly written and revolutionary book. It turns our understanding of reality inside-out.
A new approach to signal integrity analysis of high-speed packaging (2002)

A signal integrity analysis program that simultaneously performs the electromagnetic field simulation and the circuit simulation is introduced in this paper. The electromagnetic field simulation algorithms are based on special geometric features of packaging structures and can run two to four orders of magnitude faster than general-purpose electromagnetic tools. The use of the distributed circuit simulation technique drastically reduces the simulation time for lumped circuit components. This program can promptly simulate practical packages of tens of power/ground planes and thousands of vias and signal traces, while considering signal integrity problems such as signal delay, distortion, reflection, coupling, and power/ground noise. The accuracy of the simulated results is verified by measurements.
Audiophotography (1999)

The value and practice of recording sound with still photographs was explored in an audiocamera field trial. The findings challenge the current industry view that the value of sound capture lies in the voice labelling of photos. Instead they suggest that ambient sounds-of-the-moment have far higher value as a way of bringing photos to life and improving human memory for events.
Characterization and Evaluation of Two Novel Fluorescent Sigma-2 Receptor Ligands as Proliferation Probes (2011)

We synthesized and characterized two novel fluorescent sigma-2 receptor selective ligands, SW120 and SW116, and evaluated these ligands as potential probes for imaging cell proliferation. Both ligands are highly selective for sigma-2 receptors versus sigma-1 receptors. SW120 and SW116 were internalized into MDA-MB-435 cells, and 50% of the maximum fluorescent intensity was reached in 11 and 24 minutes, respectively. In vitro studies showed that 50% of SW120 or SW116 washed out of cells in 1 hour. The internalization of SW120 was reduced ≈30% by phenylarsine oxide, an inhibitor of endocytosis, suggesting that sigma-2 ligands are internalized, in part, by an endocytotic pathway. Subcellular localization studies using confocal and two-photon microscopy showed that SW120 and SW116 partially colocalized with fluorescent markers of mitochondria, endoplasmic reticulum, lysosomes, and the plasma membrane, suggesting that sigma-2 receptors localized to the cytoplasmic organelles and plasma membrane. SW120 did not colocalize with the nuclear dye 4',6-diamidino-2-phenylindole. In vivo studies showed that the uptake of SW120 in solid tumors and peripheral blood mononuclear cells of mice positively correlated with the expression level of the cell proliferation marker Ki-67, suggesting that sigma-2 fluorescent probes may be used to image cell proliferation in mice.
On the effect of correlated fading on several space-time coding and detection schemes (2002)

Antenna spacings, the angle spread and the Rice factor significantly affect the correlation of fading coefficients in a multi-antenna system. We study the effect of these parameters on the performance of different types of detection schemes in a BLAST architecture. We show that the detection method based on lattice decoding is more resistant to the correlated fading than other types of detection which are based on successive interference cancellation. We notice that highly correlated fades significantly degrade the performance of detection techniques based on successive interference cancellation whereas they slightly affect the lattice decoding algorithm. We also study the effects of correlated fades on some space-time block codes. We show that space-time block codes from orthogonal design are more resistant to correlation than other high rate linear space-time block codes.
Highly Active Binder-Free Catalytic Coatings for Heterogeneous Catalysis and Electrocatalysis: Pd on Mesoporous Carbon and Its Application in Butadiene Hydrogenation and Hydrogen Evolution (2016)

Heterogeneous catalysis performed in wall-coated reactors and electrocatalysis require homogeneous catalytic coatings with high surface area and good accessibility of the active sites. Conventional coating methods necessitate the use of binder components that often block pores and active sites, which limits catalytic efficiency, and utilization of expensive active metals. We report an approach for the direct and binder-free synthesis of chemically, mechanically, and thermally stable catalytic coatings based on ordered mesoporous carbon films employed as catalyst support. The synthesis relies on the codeposition of a structure-directing agent and small clusters of polymeric carbon precursors along with ionic metal species on a substrate. A sequence of thermal treatments converts the polymer into partly graphitized carbon, decomposes the structure-directing agent, and converts the metal precursor into highly active nanoparticles. Syntheses and catalytic applications are exemplarily demonstrated for palladium on carbon, a system widely used in heterogeneous catalysis and electrocatalysis. The obtained catalysts provide significantly higher space–time yields in the selective gas-phase hydrogenation of butadiene than all reported Pd/C catalysts while at the same time retaining isothermal reactor conditions. Moreover, when they were tested in the electrocatalytic hydrogen evolution reaction (HER), the catalysts outperformed reported Pd/C catalysts by a factor of 3, which underlines the benefits of the developed binder-free catalyst system.