gebhart/patrepeval huggingface dataset:
HOMO–LUMO energy gap control in platinum(<scp>ii</scp>) biphenyl complexes containing 2,2′-bipyridine ligands (2015)

A series of platinum(ii) biphenyl 2,2'-bipyridine complexes containing electron-donating and electron-withdrawing moieties on the 4 and 4' positions of the bipyridine ligand exhibit emission from excited states in the 600 nm region of the spectrum upon excitation in the metal-to-ligand charge transfer transition located near 450 nm. These complexes are distorted from planarity based on both single crystal structure determinations and density functional theory (DFT) calculations of isolated molecules in acetonitrile. The DFT also reveals the geometry of the lowest-lying triplet state (LLTS) of each complex that is important for emission behavior. The LLTS are assigned based on the electron spin density distributions and correlated with the singlet excited states to understand the mechanism of electronic excitation and relaxation. Time-dependent DFT calculations are performed to compute the singlet excited state energies of these complexes so as to help interpret their UV-Vis absorption spectra. Computational and experimental results, including absorption and emission energy maxima, electrochemical reduction potentials, LLTS, singlet excited states, and LUMO and HOMO energies, exhibit linear correlations with the Hammett constants for para-substituents σp. These correlations are employed to screen complexes that have not yet been synthesized. The correlation analysis indicates that the electronic structure and the HOMO-LUMO energy gap in Pt(ii) complexes can be effectively controlled using electron-donating and electron-withdrawing moieties covalently bonded to the ligands. The information presented in this paper provides a better understanding of the fundamental electronic and thermodynamic behavior of these complexes and could be used to design systems with specific applications.
Grey-scale gating for freehand 3D ultrasound (2003)

Freehand three-dimensional (3D) ultrasound is a flexible imaging technique which allows a 3D data set to be constructed of sequential B-scans from a conventional ultrasound scanner. Since the data is acquired over several seconds, physiological motion generates spatial artifacts in visualisations of the data. Consequently, an electrocardiogram (ECG) signal is often used to gate the acquisition of B-scans to a single point in the cardiac cycle. We present a technique which can remove temporal artifacts by using properties of the grey-scale B-scan data, obviating the need for an external gating signal. B-scans are acquired throughout the cardiac cycle, and any phase can be selected for subsequent visualisation. This enables limited real-time 4D display of the data.
40 Gbit/s OTDM soliton transmission over transoceanicdistances (1996)

40 Gbit/s soliton transmission is achieved in a recirculating loop over 10 000 km, for the first time to the authors' knowledge, with a single carrier wavelength. Propagation has been tested with and without polarisation multiplexing thanks to low polarisation dependency electroabsorption modulators for in-line control and for the time demultiplexing receiver.
Power as Service in Family Business (2008)

Traditional philosophy distinguishes two kinds of power: potestas, which is the power an owner has over the things he owns, or power obtained and maintained by force; and auctoritas, which is the power conferred upon a person or group of people on account of their professional competencies. A person may have both potestas and auctoritas, but in each case the power will come from a different source.KeywordsSocial ResponsibilityCorporate GovernanceFamily FirmFamily BusinessPersonal PreferenceThese keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.
Impact of nitrogen incorporation in ultrathin SiO/sub 2/ on the chemical and electronic structures of the SiO/sub 2//Si[100] interface (2002)

We have studied the chemical modification of ultrathin SiO/sub 2/ thermally-grown on Si[100], which is caused by annealing in NH/sub 3/ ambient, by using infrared attenuated total reflection (IR-ATR), X-ray photoelectron spectroscopy (XPS) and total photoelectron yield spectroscopy (PYS). We find that nitrogen incorporation with a few atomic percent in thermally-grown SiO/sub 2/ is very effective in reducing the built-in compressive stress near the SiO/sub 2//Si[100] interface.
Spectrum management for wireless networks using adaptive control and game theory (2011)

Radio frequency spectrum in wireless communication is a common resource shared by all collocated devices. Most spectrum management schemes rely on a centralized base station-receiver station relaying architecture. In contrast, infrastructure-less systems including wireless ad hoc networks require a scalable, distributed methodology. Moreover, the access has to be coordinated among the nodes in the network in the aspects which include power and rate adaptation. The challenge is to find an optimal tradeoff between such parameters not only for a particular link but also for an entire multi-hop network. Several existing schemes address power, throughput and Signal-to-Interference ratio (SIR) control on a link level. In contrast, the proposed work performs optimization for the entire network. The game theory methodology is employed to solve the distribution of the radio resources while the adaptive power and rate control estimates the required but unknown radio interface parameters online. Moreover, the adaptive power and rate control scheme optimizes the local channel access. The resulting spectrum channel management scheme becomes a hybrid of adaptive controls and game theory approaches that guarantees a fair and efficient channel sharing and maximizes the overall performance. The results are shown analytically and through simulations.
Calculation Procedures for Variational, Born, and Exact Solutions for Electromagnetic Scattering from Two Randomly Separated Dielectric Rayleigh Cylinders. (1983)

Abstract : The exact solution, the Born approximation, and its variational improvement are obtained for the scattering of electromagnetic waves from a random ensemble of systems, each consisting of two Rayleigh cylinders. The cylinders are parallel, of infinite length, and of equal radius. Their separation varies randomly among ensemble members except that the cylinders cannot overlap. The intent is to test a recently developed vector stochastic variational principle. The exact solutions are obtained for the average differential scattering cross sections of both the transverse electric (TE) and transverse magnetic (TM) fields relative to the cylinder axes with normal plane wave incidence. The corresponding variational approximations are obtained using a recently reported computational alternative to the more familiar dyadic Green's function solution. They are in essential agreement with the exact TE and TM solutions, whereas the Born results are not. In particular, the variational results accurately account for multiple scattering, which is significant in the exact TE, but not TM, solution, and also account for the difference in geometric polarizability between the two solutions. (Author)
The Internal Friction Due to Oxygen in Silver (1963)

They also have, over a certain composition range, not shown any hydride phase precipitation at temperatures as low as 4K. Thus, if a hydrogen Snoek peak does exist, it should be found in such alloys. Indeed there is evidence now of a spectrum of hydrogen relaxation peaks below room temperature. Furthermore, due to the difference in the atomic radii of V and Nb there is a large misfit in dilute alloys of these elements. This and possibly some chemical interaction can cause trapping (or antitrapping) of the interstitials at the substitutional sites, causing solute-interstitial peaks. The present paper provides an overview of our observations regarding: (1) the effect of hydrogen on the oxygen and nitrogen Snoek peaks in pure V and Nb, (2) the oxygen relaxation peaks in V-Nb alloys, (3) the hydrogen relaxation spectrum in V-Nb alloys, and (4) the effect of oxygen on the hydrogen relaxation spectrum in V-Nb alloys.
XXX.—Phenolcamphorein (1922)

S. Krishna, J. Chem. Soc., Trans., 1922, 121, 253 DOI: 10.1039/CT9222100253
Identification of environmental polynuclear aromatic hydrocarbons by pulse Fourier-transform 1H nuclear magnetic resonance spectroscopy (1977)

Pulse Fourier-transform 1H nuclear magnetic resonance spectra of submilligram amounts of mixtures of polynuclear aromatic hydrocarbons separated from air particulates and tobacco- and marijuana-smoke condensates allow individual constituents to be recognised from chemical shift data. Methyl derivatives of anthracene, phenanthrene, fluoranthene and pyrene can be identified in this way, but for methylchrysenes and -benz[a]anthracenes complementary gas-chromatographic and mass spectrometric information is necessary. Unsubstituted five-ring aromatic hydrocarbons were identified from the spectra of higher relative molecular mass fractions.
Major reorientation of tRNA substrates defines specificity of dihydrouridine synthases (2015)

The reduction of specific uridines to dihydrouridine is one of the most common modifications in tRNA. Increased levels of the dihydrouridine modification are associated with cancer. Dihydrouridine synthases (Dus) from different subfamilies selectively reduce distinct uridines, located at spatially unique positions of folded tRNA, into dihydrouridine. Because the catalytic center of all Dus enzymes is conserved, it is unclear how the same protein fold can be reprogrammed to ensure that nucleotides exposed at spatially distinct faces of tRNA can be accommodated in the same active site. We show that the Escherichia coli DusC is specific toward U16 of tRNA. Unexpectedly, crystal structures of DusC complexes with tRNA(Phe) and tRNA(Trp) show that Dus subfamilies that selectively modify U16 or U20 in tRNA adopt identical folds but bind their respective tRNA substrates in an almost reverse orientation that differs by a 160° rotation. The tRNA docking orientation appears to be guided by subfamily-specific clusters of amino acids ("binding signatures") together with differences in the shape of the positively charged tRNA-binding surfaces. tRNA orientations are further constrained by positional differences between the C-terminal "recognition" domains. The exquisite substrate specificity of Dus enzymes is therefore controlled by a relatively simple mechanism involving major reorientation of the whole tRNA molecule. Such reprogramming of the enzymatic specificity appears to be a unique evolutionary solution for altering tRNA recognition by the same protein fold.
fMRI compatible haptic interface actuated with traveling wave ultrasonic motor (2005)

We are developing haptic interfaces compatible with functional magnetic resonance imaging (fMRI) for neuroscience studies. The presented prototype with one rotary degree of freedom is actuated by a traveling wave ultrasonic motor operating under admittance control. Torque is sensed from the deflection of an elastic polymer probe via light intensity measurement over optical fibers. This concept allows us to place all electronic components outside the shielded MR room. Hence, the device can be used in conjunction with fMRI, providing torque and motion feedback simultaneously with imaging. Its compactness and simplicity facilitate the construction of multiple degree of freedom systems.
Flow-mediated arterial dilation is abnormal in congestive heart failure (1993)

Backround. Abnormalities in endothelium-dependent relaxation to acetylcholine have been reported in congestive heart failure (CHF). The purpose of this study was to determine whether there are abnormalities in flow-mediated large vessel relaxation in patients with chronic CHF. Methods and Results. The dilator response of the radial artery was measured by a new high precision A-mode ultrasound device in response to release of 10 minutes of forearm arterial occlusion (reactive hyperemic blood flow response, (HBF). Radial arterial blood velocity was measured simultaneously, and blood flow was calculated. In nine patients with chronic CHF, there was a small but insignificant reduction of peak RHFB (p=0.09) when compared with nine age-matched control subjects
Zur Struktur von Hypercratin, einem weiteren Alkaloid aus<i>Ruspolia hypercrateriformis</i>* (1983)

Besides the known pyrrolidine alkaloids ruspolinone ( 1), norruspolinone ( 2), and norruspoline ( 3) the "bispyrrolidine" alkaloid hypercratine was isolated from the roots of RUSPOLIA HYPERCRATERIFORMIS M. R. (Acanthaceae). After chemical and spectroscopic analysis of the new compound, structure 4 is suggested.
Photochemical Dechlorination of Water Supply for Fish Tanks, with Commercial Water Sterilizers (1974)

Commercial mercury-lamp water sterilizers can be used for removal of free chlorine in water supplies, by photochemical action. The efficiency of removal decreases with increasing pH, but is little affected by temperature. It is greatest at low initial chlorine concentration. Equipment with either low or high pressure mercury vapor lamps may be used. Removal of 90% of free chlorine can be effected at about 13.0 liters min −1 with a sterilizer using eight low pressure lamps of 40 W, or at 50 liters min −1 or more with two 1200-W sterilizers with high pressure lamps in tandem. Treated water appears to be harmless to fish.
An analysis of the charge structure of lightning discharges to ground (1979)

Sources of charge for the individual strokes of four multiple‐stroke flashes to ground have been determined, using measurements of the electrostatic field change obtained at eight locations on the ground beneath the storm. The resulting charge locations have been compared to 3‐cm radar measurements of precipitation structure in the storm. The field changes of individual strokes were found to be reasonably consistent with the lowering to ground of a localized or spherically symmetric charge in the cloud. The centers of charge for successive strokes of each flash developed over large horizontal distances within the cloud, up to 8 km, at more or less constant elevation between the −9° and −17°C environmental (clear air) temperature levels. Comparison with the radar measurements has shown that the discharges developed through the full horizontal extent of the precipitating region of the storm and appeared to be bounded within this extent. In one instance where cellular structure of the storm was apparent, the strokes selectively discharged regions where the precipitation echo was the strongest. Vertical extent of the stroke charge locations was small in comparison with the vertical extent of the storm. The field changes in the intervals between strokes have been found to exhibit many of the features which Malan and Schonland used to infer that ground flashes discharge a nearly vertical column of charge in the cloud. This and other evidence is used to show that their observations, which were made at a single station, could instead have been of horizontally developing discharges. The interstroke field changes have been analyzed using a point dipole model and found to correspond to predominantly horizontal charge motion that was closely associated with the ground stroke sources for the flashes. The interstroke activity served effectively to transport negative charge in the direction of earlier stroke volumes and often persisted in the vicinity of an earlier stroke volume, while subsequent strokes discharged more distant regions of the cloud. Long‐duration field changes that sometimes preceded the first stroke of a flash have been analyzed and found to correspond to a series of vertical and horizontal breakdown events within the cloud, prior to development of a leader to ground. These events were associated in part with the negative charge region that became the source of the first stroke and effectively transported negative charge away from the first stroke charge volume and from the charge volumes of subsequent strokes. Several continuing current discharges were found also to progress horizontally within the cloud and sustained currents in the range of 580 A to less than 50 A. The continuing current field changes were consistently better fitted by the monopole charge model than the field changes of discrete strokes within the same flash.
Tetracyclines. VII. Total synthesis of dl-terramycin (1968)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTTetracyclines. VII. Total synthesis of dl-terramycinHans Muxfeldt, Goetz Hardtmann, Faizulla Kathawala, Edwin Vedejs, and Jared B. MooberryCite this: J. Am. Chem. Soc. 1968, 90, 23, 6534–6536Publication Date (Print):November 1, 1968Publication History Published online1 May 2002Published inissue 1 November 1968https://pubs.acs.org/doi/10.1021/ja01025a063https://doi.org/10.1021/ja01025a063research-articleACS PublicationsRequest reuse permissionsArticle Views515Altmetric-Citations50LEARN 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
Analysis of amorphous (Fe<sub>0·7</sub>Ni<sub>0·3</sub>)<sub>3</sub>B alloy using resistivity measurements (1988)

Abstract In this paper results of a study on the crystallization behaviour of the amorphous (Fe0·7 Ni0·3)3B alloy by electrical resistivity measurement at a uniformly increasing temperature are presented. Results are also presented of measurements of phase-transition temperatures after crystallization.
Reductive dehalogenation of alkyl halides with lithium aluminum hydride. Reappraisal of the scope of the reaction (1972)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTReductive dehalogenation of alkyl halides with lithium aluminum hydride. Reappraisal of the scope of the reactionC. W. Jefford, D. Kirkpatrick, and F. DelayCite this: J. Am. Chem. Soc. 1972, 94, 25, 8905–8907Publication Date (Print):December 1, 1972Publication History Published online1 May 2002Published inissue 1 December 1972https://pubs.acs.org/doi/10.1021/ja00780a044https://doi.org/10.1021/ja00780a044research-articleACS PublicationsRequest reuse permissionsArticle Views811Altmetric-Citations57LEARN 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
Milnacipran: a selective serotonin and norepinephrine dual reuptake inhibitor for the management of fibromyalgia (2010)

Milnacipran, a serotonin and norepinephrfrine reuptake inhibitor with preferential inhibition of norepinephrine reuptake over serotonin, is approved in the United States for the management of fibromyalgia. Owing to its effects on norepinephrine and serotonin, as well as its lack of activity at other receptor systems, it was hypothesized that milnacipran would provide improvements in pain and other fibromyalgia symptoms without some of the unpleasant side effects associated with other medications historically used for treating fibromyalgia. The clinical safety and efficacy of milnacipran 100 and 200 mg/day in individuals with fibromyalgia has been investigated in four large, randomized, double-blind, placebo-controlled studies and three long-term extension studies. The clinical studies used composite responder analyses to identify the proportion of individual patients reporting simultaneous and clinically significant improvements in pain, global status, and physical function, in addition to assessing improvement in various symptom domains such as fatigue and dyscognition. In the clinical studies, patients receiving milnacipran reported significant improvements in pain and other symptoms for up to 15 months of treatment. Most adverse events were mild to moderate in severity and were related to the intrinsic pharmacologic properties of the drug. Long-term exposure to milnacipran did not result in any new safety concerns. As with other serotonin and norepinephrine reuptake inhibitors, increases in heart rate and blood pressure have been observed in some patients with milnacipran treatment.
Effects of surface topography, ph and salt on the adsorption of polydisperse polyethylenimine onto pulp fibers (1996)

Abstract The adsorption of polyelectrolytes on pulp fibers is complicated by the complex surface topography of the fibers, which are porous and fibrillated. The porosity and fibrillation determine to a large degree the internal and external surface area of the fibers accessible for polymer or polyelectrolyte adsorption. Other complications in practical applications are that the polyelectrolytes used are usually polydisperse and the ionic strength and pH are not always well controlled, all of which affect the adsorption. From a comparison of the adsorption behavior of polydisperse polyethylenimine (PEI) onto smooth glass fibers with than on pulp fibers under well‐controlled conditions, a consistent model for PEI adsorption onto pulp fibers can be deduced. At low salt concentrations, PEI molecules are quasi‐irreversibly adsorbed. The high molecular weight fraction can be modeled as rigid spheres that deposit on the accessible surface, maintaining their shape. Low molecular weight fractions cover the spaces between the large molecules and also penetrate into the pores. The increase of PEI adsorption with pH is ascribed to a decrease in size of a PEI molecule with increasing pH. This results in a larger number of molecules that can be accommodated on the external surface and a larger fraction penetrating deeper into the porous structure as well. In the presence of salt (around 0.1 M), a dynamic equilibrium between adsorption and desorption is established.
Metal Oxide Varistor Burn-in. (1986)

Varistor degradation from unipolar transient pulsing is described. Metal-Oxide varistors (MOVs) subjected to a single high-energy transient displayed an increase in standby current and a decrease in clamping voltage. The amount of degradation was dependent on the polarity of the measurement relative to the polarity of the pulsing, as well as the energy rating of the device. After one pulse, the clamping voltage is lower when measured at the port opposite to the pulsing than when measured at the same port which was pulsed. Polarization of permanent electric dipoles in the insulating intergranular matrix and the filling of traps at the metal oxide grain boundaries are discussed as possible mechanisms for the degradation. (Author)