gebhart/patrepeval huggingface dataset:
Bonding ability of surface sites on silica and their effect on hydrogen bonds. A quantum-chemical and statistical thermodynamic treatment (1981)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTBonding ability of surface sites on silica and their effect on hydrogen bonds. A quantum-chemical and statistical thermodynamic treatmentPavel Hobza, Joachim Sauer, Christoph Morgeneyer, Josef Hurych, and Rudolf ZahradnikCite this: J. Phys. Chem. 1981, 85, 26, 4061–4067Publication Date (Print):December 1, 1981Publication History Published online1 May 2002Published inissue 1 December 1981https://pubs.acs.org/doi/10.1021/j150626a022https://doi.org/10.1021/j150626a022research-articleACS PublicationsRequest reuse permissionsArticle Views282Altmetric-Citations62LEARN 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 options Get e-Alerts
Universal visible emitters in nanoscale integrated photonics (2023)

Visible wavelengths of light control the quantum matter of atoms and molecules and are foundational for quantum technologies, including computers, sensors, and clocks. The development of visible integrated photonics opens the possibility for scalable circuits with complex functionalities, advancing both science and technology frontiers. We experimentally demonstrate an inverse design approach based on the superposition of guided mode sources, allowing the generation and complete control of free-space radiation directly from within a single 150 nm layer , showing low loss across visible and near-infrared spectra. We generate diverging circularly polarized beams at the challenging 461 nm wavelength that can be directly used for magneto-optical traps of strontium atoms, constituting a fundamental building block for a range of atomic-physics-based quantum technologies. Our generated topological vortex beams and the potential for spatially varying polarization emitters could open unexplored light–matter interaction pathways, enabling a broad new photonic–atomic paradigm. Our platform highlights the generalizability of nanoscale devices for visible-laser emission and will be critical for scaling quantum technologies.
Index Tracking with Cardinality Constraints: A Stochastic Neural Networks Approach (2020)

Partial (replication) index tracking is a popular passive investment strategy. It aims to replicate the performance of a given index by constructing a tracking portfolio which contains some constituents of the index. The tracking error optimisation is quadratic and NP-hard when taking the ℓ0 constraint into account so it is usually solved by heuristic methods such as evolutionary algorithms. This paper introduces a simple, efficient and scalable connectionist model as an alternative. We propose a novel reparametrisation method and then solve the optimisation problem with stochastic neural networks. The proposed approach is examined with S&amp;P 500 index data for more than 10 years and compared with widely used index tracking approaches such as forward and backward selection and the largest market capitalisation methods. The empirical results show our model achieves excellent performance. Compared with the benchmarked models, our model has the lowest tracking error, across a range of portfolio sizes. Meanwhile it offers comparable performance to the others on secondary criteria such as volatility, Sharpe ratio and maximum drawdown.
Surface-Enhanced Raman Detection of Melamine on Silver-Nanoparticle-Decorated Silver/Carbon Nanospheres: Effect of Metal Ions (2011)

Silver/carbon (Ag/C) core-shell nanospheres synthesized by a hydrothermal method were used as templates for fabricating silver nanoparticle-decorated Ag/C (Ag/C/AgNps) nanospheres. The particle size of Ag nanoparticles can be tuned by varying the concentration of Ag precursor. Detection of melamine molecules at concentrations as low as 5.0×10(-8) M shows that the Ag/C/AgNps nanosphere is a good SERS-active substrate. The effect of heavy metal ions on the detection of melamine is also investigated. It was found that the SERS spectrum profile of melamine is very sensitive to the presence of heavy metal ions: the peak positions of the SERS bands exhibit some apparent change with the kind of metal ion, showing a blue or red shift compared with those in the SERS spectrum of melamine; the SERS signal intensity decrease with increasing the concentration of metal ion.
Parametric melting studies for in situ vitrification (1991)

This report describes a series of simulation studies which examine heat conduction and electric heating during in situ vitrification (ISV). The simulation studies determine the effects of soil parameter changes on the ISV process. Changes in heat capacity, thermal conductivity and electrical conductivity are considered. The results of these studies provide a basis for experimental measurement accuracy requirements.
Laboratory Investigations Establishment of a Model of Cortical Bone Repair in Mice (2003)

A model of cortical bone repair has been es- tablished for use in mice. The cortical defect consisted of a hole drilled through the entire diameter of the tibial diaphysis. The hematoma that initially filled the drill site was invaded by cells of mesenchymal appearance within 5 days of injury. Trabeculae of mineralized woven bone were present throughout the drill site by day 9. A re- action in the periosteum adjacent to the drill site, con- sistingof both new bone and cartilag e formation, preceded deposition of bone tissue in the drill site. New woven bone was modeled to restore the marrow cavity to normal by 4 weeks after injury, and almost normal cortical structure was achieved by 6 weeks after injury. Immunohistochemical studies indicated that type III collagen was expressed within the drill site by day 5, reached a peak at day 7, and was diminished by day 9. In contrast, type I collagen was first detectable in the drill site at day 7, and stainingwas more intense by day 9. Osteopontin expression in the drill site coincided with the process of mineralization of new bone in this loca- tion. The model of bone repair described here provides a method for inducingreproducible bone lesions in a readily identifiable location in mice. It will be useful in the investigation of bone cell function in mouse strains that have been subjected to genetic manipulation.
Channel Equalization in HSDPA Receivers: Trade-Off between Performance and Complexity with a Variable Oversampling (2006)

In this paper algorithms for HSDPA receivers are investigated and optimized to achieve the specified performance while obtaining a low energy consumption. Different approaches including standard Rake combiner, MMSE and prefilter-Rake equalizers in combination with a variable oversampling ratio are discussed. The bit error rate (BER) is simulated within a complete fixed point physical layer model and the complexity of the different algorithms is compared. All equalizers fulfil the requirements of the specifications even for a vehicular propagation channel with a receiver velocity of 30 km/h. The prefilter-Rake equalizer using the Levinson algorithm reaches a throughput of 1.5 Mbit/s for SNR values greater than 6.1 dB. The comparison of performance and complexity demonstrates that the oversampling ratio can be tuned down to 2 samples per chip depending on the environment to reduce the complexity and energy consumption while maintaining the demanded performance
Vaccine Cold Chain (2010)

The Wyanoke Group is the parent company for Healio, Healio LIVE, Healio Strategic Solutions, SLACK Incorporated, and Vindico Medical Education. The shared mission of our companies is to deliver the highest quality information, education and communications to health care professionals to improve patient health.
Electrical activity of ferroelectric biomaterials and its effects on the adhesion, growth and enzymatic activity of human osteoblast-like cells (2016)

Previous investigations have indicated that electroactive (e.g. ferroelectric) coatings of implants induce improved bone formation. If a ferroelectric is immersed in a liquid, an electric double layer and a diffusion layer are formed at the interface. This is decisive for protein adsorption and bioactive behaviour, particularly for the adhesion and growth of cells. The charge distribution can be characterized, in a simplified way, by the zeta potential. We measured the zeta potential in dependence on the surface polarity on poled ferroelectric single crystalline LiNbO3 plates. Both our results and recent results of colloidal probe microscopy indicate that the charge distribution at the surface can be influenced by the surface polarity of ferroelectrics under certain “ideal” conditions. This is supported by our results from studies of the adhesion, growth and the activity of alkaline phosphatase of human osteoblast-like Saos-2 cells on ferroelectric LiNbO3 plates in vitro.
Degradation of RNA in Escherichia coli induced by sodium chloride. (1977)

The degradation of RNA was induced during incubation of Escherichia coli cells in 0.01M Tris buffer containing 0.15M sodium chloride (0.15M NaCl-Tris buffer). After incubation in 0.15M NaCl-Tris buffer for 120min, approximately 50% of RNA was lost from the acid insoluble fraction. When magnesium (50mM) was added to 0.15M NaCl-Tris buffer, the degradation of RNA was completely prevented. When crude ribosomes, which were prepared by sonic disruption of the cells, were incubated in 0.15M NaCl-Tris buffer, RNA was rapidly degraded but the addition of magnesium (5mM) again prevented the degradation of RNA. 3'-Mononucleotides, but not 5'-mononucleotides, were determined as the main degradation products of cellular RNA. When E. coli Q 13, a mutant deficient in ribonuclease (RNase) I, was treated in a similar fashion, no degradation of RNA occurred. These results suggest that the degradation of RNA during incubation in 0.15M NaCl-Tris buffer is due to the enzymatic action of RNase I.
Fermiology and Origin of Tc Enhancement in a Kagome Superconductor Cs(V1−xNbx)3Sb5 (2022)

Kagome metals AV_{3}Sb_{5} (A=K, Rb, and Cs) exhibit a characteristic superconducting ground state coexisting with a charge density wave (CDW), whereas the mechanisms of the superconductivity and CDW have yet to be clarified. Here we report a systematic angle-resolved photoemission spectroscopy (ARPES) study of Cs(V_{1-x}Nb_{x})_{3}Sb_{5} as a function of Nb content x, where isovalent Nb substitution causes an enhancement of superconducting transition temperature (T_{c}) and the reduction of CDW temperature (T_{CDW}). We found that the Nb substitution shifts the Sb-derived electron band at the Γ point downward and simultaneously moves the V-derived band around the M point upward to lift up the saddle point (SP) away from the Fermi level, leading to the reduction of the CDW-gap magnitude and T_{CDW}. This indicates a primary role of the SP density of states to stabilize the CDW. The present result also suggests that the enhancement of superconductivity by Nb substitution is caused by the cooperation between the expansion of the Sb-derived electron pocket and the recovery of the V-derived density of states at the Fermi level.
A new enhanced constructive decomposition and mapping algorithm (2003)

Structuring and mapping of a Boolean function is an important problem in the design of complex integrated circuits. Library-aware constructive decomposition offers a solution to this problem. This paper proposes novel techniques to improve the quality and runtime of constructive decomposition. The improvements are effective both in the stand-alone mapping procedure and in the context of re-synthesis applied to a mapped multi-level network. Experiments with public and proprietary benchmarks show promising results.
Low-Latency Layer-2-Based Multicast Scheme for Localized V2X Communications (2018)

The long-term evolution multimedia broadcast multicast service (MBMS) infrastructure has been shown to efficiently fulfill the requirements of classical vehicle-to-vehicle services, such as cooperative awareness message and decentralized environmental notification message delivery, which involve the transmission of the same message to a set of destination receivers in close proximity. When targeting autonomous driving applications, related 5G V2X services, such as cooperative collision avoidance (CCA), impose challenging latency and reliability requirements that cannot be generally guaranteed using the current MBMS architecture. In this paper, we propose a low-latency multicast scheme aimed at decreasing the end-to-end (E2E) communication latency. The proposed approach concentrates the multicast network functionalities into the layer-2 of the base stations (BSs) protocol stack, including a message passing between neighboring BSs, to achieve a fast management of multicast groups and a reduction of the communication path through the network infrastructure. The results show that the proposed technique can substantially decrease the E2E latency of conventional MBMS and ensure the correct operation of demanding services, such as CCA moving toward 5G communication systems.
Extensible Messaging and Presence Protocol (XMPP): Core (2011)

The Extensible Messaging and Presence Protocol (XMPP) is an application profile of the Extensible Markup Language (XML) that enables the near-real-time exchange of structured yet extensible data between any two or more network entities.This document defines XMPP's core protocol methods: setup and teardown of XML streams, channel encryption, authentication, error handling, and communication primitives for messaging, network availability ("presence"), and request-response interactions.This document obsoletes RFC 3920.
Impact of Smartphone Position on Sensor Values and Context Discovery (2013)

With near-ubiquitous availability of smartphones equipped with a wide variety of sensors, research in building contextaware services has been growing.However, despite a large number of services proposed and developed as research prototypes, the number of truly context-aware applications available in smartphone applications market is quite limited.A major barrier for the large-scale proliferation of context aware applications is poor accuracy.This paper addresses one of the key reasons for this poor accuracy, which is the impact of smartphone positions.Users carry their smartphones in different positions such as holding in their hand, keeping inside their pants or jacket pocket, keeping in their purse, and so on.This paper addresses the issue of poor application accuracy due to varying smartphone positions.It first shows that smartphone positions significantly affect the values of the sensor data being collected by a context aware application, and this in turn has a significant impact on the accuracy of the application.Next, it describes the design and prototype development of a smartphone position discovery service that accurately detects a smartphone position.This service is based on the sensor data collected from carefully chosen sensors and runs orthogonal to any other context aware application or service.Finally, the paper demonstrates that the accuracy of an existing context aware service or application is significantly enhanced when run in conjunction with the proposed smartphone position discovery service.
Cause of death in patients attending multiple sclerosis clinics (1991)

Between 1972 and 1988, 145 deaths occurred among 3,126 patients attending the Multiple Sclerosis (MS) Clinics in Vancouver, British Columbia (N = 1,583), and London, Ontario (N = 1,543). We could determine the exact cause of death in 82.1% of cases (119 of 145). Of the 119 patients for whom the cause of death was known, 56 deaths (47.1%) were directly attributed to complications of MS. Of the remaining 63 deaths, 18 (28.6%) were suicides, 19 (30.2%) were due to malignancy, 13 (20.6%) to an acute myocardial infarction, seven (11.1%) to stroke, and the remainder (9.5%) to miscellaneous causes, of which two may have been suicides. The proportion of suicides among MS deaths was 7.5 times that for the age-matched general population, and the proportion of MS deaths from malignancy was 0.67 times that for the age-matched general population. The proportion of deaths due to malignancy and stroke was the same for the MS patients and the age-matched general population.
Improved quantitative phase imaging in lensless microscopy by single-shot multi-wavelength illumination using a fast convergence algorithm (2015)

We report on a novel algorithm for high-resolution quantitative phase imaging in a new concept of lensless holographic microscope based on single-shot multi-wavelength illumination. This new microscope layout, reported by Noom et al. along the past year and named by us as MISHELF (initials incoming from Multi-Illumination Single-Holographic-Exposure Lensless Fresnel) microscopy, rises from the simultaneous illumination and recording of multiple diffraction patterns in the Fresnel domain. In combination with a novel and fast iterative phase retrieval algorithm, MISHELF microscopy is capable of high-resolution (micron range) phase-retrieved (twin image elimination) biological imaging of dynamic events. In this contribution, MISHELF microscopy is demonstrated through qualitative concept description, algorithm implementation, and experimental validation using both a synthetic object (resolution test target) and a biological sample (swine sperm sample) for the case of three (RGB) illumination wavelengths. The proposed method becomes in an alternative instrument improving the capabilities of existing lensless microscopes.
Comparison ofHFRadarandADCPSurface Currents attheDelaware BayMouth (2008)

Coastal surface currents measured remotely byhigh AsHFradar hasbecomeamorecommontoolforcoastal frequency (BY)radararecompared withthose frominsitu oceanobservation, anumberofstudies havebeenconducted acoustic Dopplercurrent profilers (ADCP)deployed inboth . ' Eulerian andLagrangian configurations. Two25NMz CODAR mtoompare intsuberts with those ofmore conventional SeaSondes(®, located atCapeMay,NJandCapeHenlopen, DE, methods andinstruments suchascurrent meters, Lagrangian continuously measure surface currents attheDelaware Bay drifters, andADCPs(2). Results havegenerally indicated a mouth. Theradars measure surface current hourly withaspatialgoodagreement inmeasurement ofcurrent vectors between resolution ofapproximately 1.5kmusing ideal antenna patterns. radar andmoreconventional instruments withradars usually Surface currents inthisareaaredominated bystrong semi- . . . . 3
Ultra-Wideband Microstrip Line-to-Microstrip Line Transition in Multilayer LCP Substrate at Millimeter-Wave Frequencies (2017)

In this letter, an ultrawideband microstrip line (MSL)-to-MSL transition in multilayer liquid crystal polymer (LCP) substrate is presented for millimeter-wave applications. The proposed transition consists of three circuit layers and three LCP layers. The MSLs' signal lines are in the top circuit layer, while their grounds are distributed in the inner and bottom layers, respectively, and are connected using through vias. Full-wave simulation reveals an insertion loss of less than 1.1 dB for the proposed transition from dc to 110 GHz. To experimentally demonstrate this design, its back-to-back transition was fabricated and characterized. The measured insertion loss and reflection of the back-to-back transition are less than 2.5 and -13 dB below 110 GHz, respectively, showing a good agreement with the simulated data.
The use of multiple internal reflection on extrinsic silicon infrared detection (1980)

The sensitivity of a silicon extrinsic infrared detector is enhanced by increasing the absorption path by multiple internal reflection utilizing V-grooves on a [100]-oriented silicon wafer for light coupling. Planar detectors were fabricated with gold-doped silicon as a prototype study, in which the spectral response, the influences of temperature, and the photoconductive detector quantum efficiency were characterized. The result indicates that the peak of the photoconductive spectrum is located at 0.9 eV, which is equal to 1.67 times the threshold for extrinsic photoconduction, as generally expected from the theoretical calculations.
Cold atomic beam ion source for focused ion beam applications (2013)

We report measurements and modeling of an ion source that is based on ionization of a laser-cooled atomic beam. We show a high brightness and a low energy spread, suitable for use in next-generation, high-resolution focused ion beam systems. Our measurements of total ion current as a function of ionization conditions support an analytical model that also predicts the cross-sectional current density and spatial distribution of ions created in the source. The model predicts a peak brightness of 2 × 107 A m−2 sr−1 eV−1 and an energy spread less than 0.34 eV. The model is also combined with Monte-Carlo simulations of the inter-ion Coulomb forces to show that the source can be operated at several picoamperes with a brightness above 1 × 107 A m−2 sr−1 eV−1. We estimate that when combined with a conventional ion focusing column, an ion source with these properties could focus a 1 pA beam into a spot smaller than 1 nm. A total current greater than 5 nA was measured in a lower-brightness configuration of the ion source, demonstrating the possibility of a high current mode of operation.
Origin of the Preferential Formation of Helicenes in Mallory Photocyclizations. Temperature as a Tool to Influence Reaction Regiochemistry (2018)

The regiochemistry of four bis-Mallory photocyclization substrates has been examined from experimental and computational perspectives. Formation of all three possible regioisomers was only observed in the reaction of one of the substrates. In the other three substrates, only the two C<sub>2</sub>-symmetric products, but not the C<sub>1</sub> product, were formed. In the three reactions that only formed two products, the photocyclization temperature could be used to select for exclusive formation of one or the other regioisomer. The use of temperature to select between two regioisomers also worked in the photocyclization of the substrate that formed three products. However, no temperature was located for exclusive formation of the third component, one of the C<sub>2</sub>-symmetric products, which always formed alongside either one or both of its regioisomers. B3LYP/6-311+G(2d,p) calculations were used to determine the energies of all of the dihydrophenanthrene (DHP), tetrahydrophenanthrene (THP), and mono-Mallory photocyclization intermediates. The oscillator strengths of the DHP precursors to the helicene products were a factor of 4.8-9.2 smaller than those of competitively formed DHPs. This observation suggests that establishment of a photostationary state is responsible for the preferential formation of helicenes that has been observed as a unique and useful feature of many Mallory photocyclizations.