gebhart/patrepeval huggingface dataset:
Quantitative Structure–Activity Relationships and Docking Studies of Calcitonin Gene‐Related Peptide Antagonists (2011)

Defining the role of calcitonin gene-related peptide in migraine pathogenesis could lead to the application of calcitonin gene-related peptide antagonists as novel migraine therapeutics. In this work, quantitative structure-activity relationship modeling of biological activities of a large range of calcitonin gene-related peptide antagonists was performed using a panel of physicochemical descriptors. The computational studies evaluated different variable selection techniques and demonstrated shuffling stepwise multiple linear regression to be superior over genetic algorithm-multiple linear regression. The linear quantitative structure-activity relationship model revealed better statistical parameters of cross-validation in comparison with the non-linear support vector regression technique. Implementing only five peptide descriptors into this linear quantitative structure-activity relationship model resulted in an extremely robust and highly predictive model with calibration, leave-one-out and leave-20-out validation R(2) of 0.9194, 0.9103, and 0.9214, respectively. We performed docking of the most potent calcitonin gene-related peptide antagonists with the calcitonin gene-related peptide receptor and demonstrated that peptide antagonists act by blocking access to the peptide-binding cleft. We also demonstrated the direct contact of residues 28-37 of the calcitonin gene-related peptide antagonists with the receptor. These results are in agreement with the conclusions drawn from the quantitative structure-activity relationship model, indicating that both electrostatic and steric factors should be taken into account when designing novel calcitonin gene-related peptide antagonists.
Ferromagnetic (LaSr)MnO<sub>3</sub> Films Deposited by RF Sputtering (1990)

We prepared polycrystalline films of perovskite-type lanthanum manganese oxide La 1- x Sr x MnO 3 (0≤ x ≤1) by RF diode sputtering, and investigated their structural, magnetic and magneto-optical properties. Crystalline films were easily grown during sputtering at relatively low substrate temperature (≥170°C). The films as crystallized in situ were poorer in crystallinity, and much smaller in saturation magnetization compared to bulk samples. By annealing the films in O 2 atmosphere above 900°C, the saturation magnetization increased and approached the values of bulk samples. Magnetization was aligned perpendicular to the film plane when the film with x =0.21 (which was sputter-deposited in mixed gas of Ar:O 2 =9:1 on a GGG substate at 500°C) was annealed in air at 800°C. Faraday rotation F and ellipticity X increased at higher photon ( h v ) energy range. F of the film annealed in O 2 atmosphere at 900°C formed a peak at h v =2.9 eV, reaching -2.6×10 4 deg/cm. X of the film reached -5.0×10 4 deg/cm at h v =3.1 eV. The lanthanum manganese oxide film is a candidate for magneto-optical recording media using Kerr effect at short wavelength.
Non-periodic direct radiating arrays for multiple beam space telecommunication missions (2008)

This work identifies the non-periodic array configurations for a space multibeam communication satellite which minimise the number of active chains while ensuring a proper control of both the sidelobe (SLL) and grating lobe (GL).
Development of a Molten-Salt Thermocline Thermal Storage System for Parabolic Trough Plants (2002)

Thermal storage improves the dispatchability and marketability of parabolic trough power plants allowing them to produce electricity on demand independent of solar collection. One such thermal storage system, a thermocline, uses a single tank containing a fluid with a thermal gradient running vertically through the tank, where hotter fluid (lower density) is at the top of the tank and colder fluid is at the base of the tank. The thermal gradient separates the two temperature potentials. A low-cost filler material provides the bulk of the thermal capacitance of the thermal storage, prevents convective mixing, and reduces the amount of fluid required. In this paper, development of a thermocline system that uses molten-nitrate salt as the heat transfer fluid is described and compared to a two-tank molten salt system. Results of isothermal and thermal cycling tests on candidate materials and salt safety tests are presented as well as results from a small pilot-scale (2.3 MWh) thermocline.
Synthesis of Polycarbonate‐Poly(methyl methacrylate) Copolymer via Sonochemical Polymerization of Methyl Methacrylate in Polycarbonate Solution (2007)

Abstract Methyl methacrylate (MMA) was polymerized in the presence of polycarbonate (PC) by ultrasonic irradiation‐initiated polymerization. The resulting products consisted of mixtures of homopolymers of poly(methyl methacrylate) (PMMA), PC and PC‐PMMA copolymer because of the homopolymerization of MMA itself and copolymerization with macroradicals of PC. Formation of the PC‐PMMA copolymer was confirmed by FTIR analysis of the reaction products after a proper extraction of free PMMA from the mixture. In order to verify the effectiveness of the PC‐PMMA copolymer as a compatibilizer for PC/styrene‐co‐ acrylonitrile (SAN) blend, 5 phr of PC‐PMMA was added during melt mixing of PC/SAN in a batch mixer. It was found from the investigation of morphology and rheological properties that interphase of SAN and PC was fortified by numerous ligaments of PC‐PMMA copolymer, which resulted in increase of melt viscosity and storage modulus of the blend.
Mammalian 60-kDa Stress Protein (Chaperonin Homolog). (1995)

Mammalian chaperonin homolog (HSP60) was purified from porcine livers cytosol using a tandem ATP-Sepharose column and Mono Q column chromatography. A partial amino acid sequence (96 amino acid residues) of this protein was determined and coincided with those of human HSP60 with 96.9% homology, which was deduced from the nucleotide sequence of the cDNA. The sequence of the NH2 termini of the purified protein (5 amino acid residues) coincided with the signal sequence of HSP60. These facts led to the identification of the 60-kDa liver protein with the chaperonin homolog. Dihydrofolate reductase was able to form a stable complex with the liver chaperonin homolog. The liver chaperonin homolog was detected by at least five spots around pI = 5.6 on two-dimensional gel electrophoresis. Immunoblotting studies using an antibody against chaperonin homolog showed that the chaperonin homolog was localized in the cytosol, mitochondrial, and nuclear fractions of porcine liver. The chaperonin homolog was localized both in the mitochondria and cytoplasm of rat kidneys at the electron microscopic level. The chaperonin homolog in the cytosol, but not in the other subcellular fractions, was cross-reacted with an antibody against the synthetic peptide corresponding to the signal peptide of HSP60 as well as the purified chaperonin homolog on immunoblotting. These results suggested that the functional chaperonin homolog in the cytosol may be transported into the mitochondria and the protein may be processed to mitochondrial HSP60 in the organella.
The field emission properties of high aspect ratio diamond nanocone arrays fabricated by focused ion beam milling (2005)

High aspect ratio diamond nanocone arrays are formed on freestanding diamond film by means of focused ion beam (FIB) milling technology and hot-filament chemical vapor deposition (HFCVD) method. The structure and phase purity of an individual diamond nanocone are characterized by scanning electron microscopy (SEM) and micro-Raman spectroscopy. The result indicatesthat the diamond cones with high aspect ratio and small tip apex radius can be obtained by optimizing the parameters ofFIB milling and diamond growth. The diamond nanocone arrays were also used to study the electron field emission propertiesand electric field shielding effect, finding high emission current density, low threshold and weak shielding effect, all attributable to the high field enhancement factor and suitable cone density of the diamond nanocone emitter.
New η-cycloheptatrienyl tungsten compounds and the intercalation of [M(η-C<sub>7</sub>H<sub>7</sub>)(η-C<sub>5</sub>H<sub>4</sub>Me)](M = Mo or W) into ZrS<sub>2</sub> (1993)

The compound [W(η-C7H7)(η-C7H9)]1 is formed in gram quantities by reduction of WCl6 with sodium amalgam in the presence of cycloheptatriene. The compound 1 with iodine in acetonitrile gives [W(η-C7H7)(MeCN)I2]2 and this reacts with PMe3 forming [W(η-C7H7)(PMe3)I2]. Oxidation of 1 with bromine in acetonitrile yields [W(η-C7H7)(MeCN)Br2] and with bromine in tetrahydrofuran followed by addition of PMe3 gives [W(η-C7H7)(PMe3)Br2]. Reduction of 2 with sodium amalgam in the presence of 1,2-bis(dimethylphosphino)ethane (dmpe) affords [W(η-C7H7)(dmpe)I]. Compound 2 also reacts with Na(C5H4R)(R = H or Me) and lithium indenide to give the mixed-sandwich compounds [W(η-C7H7)(η-C5H4R)](R = H or Me) and [W(η-C7H7)(η-C9H7)] respectively. The sandwich compounds [M(η-C7H7)(η-C5H4Me)](M = Mo or W) and ZrS2 form the intercalates {ZrS2[M(η-C7H7)(η-C5H4Me)]x}.
Recombinant interleukin-2 (rIL-2) improves immune response and host resistance to septic challenge in thermally injured mice. (1988)

Impaired immune competence leading to decreased resistance to sepsis is a major cause of death in burn patients. We have previously shown that increased mortality from a septic challenge correlated with impaired splenocyte interleukin-2 (IL-2) production and response to T cell mitogens in mice subjected to a 25% surface area scald burn. We report now that the addition of recombinant (r) IL-2 (100 U/ml) in vitro to splenocytes from burned animals restored mitogen responses to normal. Burned mice intraperitoneally received 16,000 U of rIL-2 (selected on the basis of dose-response experiments) once daily in 0.5 ml 5% dextrose (5% D) on days 1 through 6 after thermal injury and were compared with burned mice treated with only 5% D. Both groups were subjected to cecal ligation and puncture 10 days after burn; 4 days later, there were no survivors in the 5% D group, whereas 45% of the rIL-2 group remained alive (p = 0.001; Gehan statistic). We found that rIL-2 treatment at the dose selected resulted in no apparent toxicity in burned mice. Finally, splenocytes from rIL-2-treated burned mice showed improved responses to T cell mitogens in vitro compared with 5% D-treated controls. We conclude that rIL-2 therapy may have a role in the restoration of immune competence after thermal injury.
Balancing Efficiency and Flexibility for DNN Acceleration via Temporal GPU-Systolic Array Integration (2020)

The research interest in specialized hardware accelerators for deep neural networks (DNN) spikes recently owing to their superior performance and efficiency. However, today's DNN accelerators primarily focus on accelerating specific "kernels" such as convolution and matrix multiplication, which are vital but only part of an end-to-end DNN-enabled application. Meaningful speedups over the entire application often require supporting computations that are, while massively parallel, ill-suited to DNN accelerators. Integrating a general-purpose processor such as a CPU or a GPU incurs significant data movement overhead and leads to resource under-utilization on the DNN accelerators. We propose Simultaneous Multi-mode Architecture (SMA), a novel architecture design and execution model that offers general-purpose programmability on DNN accelerators in order to accelerate end-to-end applications. The key to SMA is the temporal integration of the systolic execution model with the GPU-like SIMD execution model. The SMA exploits the common components shared between the systolic-array accelerator and the GPU, and provides lightweight reconfiguration capability to switch between the two modes in-situ. The SMA achieves up to 63% performance improvement while consuming 23% less energy than the baseline Volta architecture with TensorCore.
Population-based study of the surgical workload and economic impact of bowel obstruction caused by postoperative adhesions (2003)

Abstract Background Intestinal obstruction is the most severe consequence of adhesion formation. This study examined the annual surgical workload and costs of intestinal obstruction caused by postoperative intra-abdominal adhesions. Methods The study was a retrospective case-note review of patients hospitalized for intestinal obstruction caused by postoperative adhesions in a well defined geographical area. The surgical workload and direct costs of inpatient care were analysed. Results There were 138 admissions for postoperative adhesion-related intestinal obstruction during the study with a total of 1118 inpatient days. The median hospital stay was 4 (range 1–58) days among patients who had non-operative treatment and 11 (range 2–34) days for those who had surgery. Surgery was necessary in 40 patients (29·0 per cent). The mean operating time (time from skin incision to last stitch) and the mean time spent in the operating theatre were 79 and 141 min respectively. The cumulative operating time for the surgical group was 52 h 20 min and the cumulative theatre time was 93 h 44 min. The annual direct hospital cost for postoperative adhesional intestinal obstruction was £181 653 in the district studied and the estimated cost for the whole of Finland was £2 077 796. Conclusion This population-based study indicates that the workload and costs associated with bowel obstruction caused by postoperative adhesions are substantial.
Stable Rhodopsin/Arrestin Complex Leads to Retinal Degeneration in a Transgenic Mouse Model of Autosomal Dominant Retinitis Pigmentosa (2006)

Over 100 rhodopsin mutation alleles have been associated with autosomal dominant retinitis pigmentosa (ADRP). These mutations appear to cause photoreceptor cell death through diverse molecular mechanisms. We show that K296E, a rhodopsin mutation associated with ADRP, forms a stable complex with arrestin that is toxic to mouse rod photoreceptors. This cell death pathway appears to be conserved from flies to mammals. A genetics approach to eliminate arrestin unmasked the constitutive activity of K296E and caused photoreceptor cell death through a transducin-dependent mechanism that is similar to light damage. Expressing K296E in the arrestin/transducin double knock-out background prevented transducin signaling and led to substantially improved retinal morphology but did not fully prevent cell death caused by K296E. The adverse effect of K296E in the arrestin/transducin knock-out background can be mimicked by constant exposure to low light. Furthermore, we found that arrestin binding causes K296E to mislocalize to the wrong cellular compartment. Accumulation of stable rhodopsin/arrestin complex in the inner segment may be an important mechanism for triggering the cell death pathway in the mammalian photoreceptor cell.
Development of an Active Cancel System for Cylindrical Magnetic Shields (2003)

We have improved the low-frequency axial shielding factor (ASF) of the open-ended cylindrical magnetic shield by incorporating the active canceling system to it. The amplitude and the phase of the incoming magnetic field to the shield were measured along the axis of the cylinder, and along lines on the inner and the outer surface of the cylinder in the frequency range 2 - 50 Hz. A simple feed-forward active canceling system has been developed, which consists of three canceling ring coils and a single monitoring flux-gate magnetometer. The magnetometer was located at a position on the outer surface of the magnetic cylinder, where the canceling magnetic field does not interfere to the magnetometer. The ASF achieved with active cancel was as high as 3000 at 2 Hz, 855 at 10 Hz and 113 at 50 Hz. These high ASFs can only be obtained with a longer magnetic cylinder if the active cancel is not employed.
ITO‐Free, Small‐Molecule Organic Solar Cells on Spray‐Coated Copper‐Nanowire‐Based Transparent Electrodes (2013)

The great potential of solution‐processed metal nanowire networks utilized as a transparent electrode has attracted much attention in the last years. Typically, silver nanowires are applied, although their replacement by more abundant and cheaper materials is of interest. Here, a hydrazine‐free synthesis route for high aspect ratio copper nanowires is used to prepare conductive networks showing an enhanced electrode performance. The network deposition is done with a scalable spray‐coating process on glass and on polymer foils. By a pressing or an annealing step, highly conductive transparent electrodes are obtained, and they reveal transmittance‐resistance values similar to indium tin oxide (ITO) and networks made of silver nanowires. The application potential of the copper nanowire electrodes is demonstrated by integrating them into an evaporated small‐molecule organic solar cell with 3% efficiency.
A Longitudinal Description of Heart Rate Variability in 28—34-Week-Old Preterm Infants (2009)

The purpose of this study was to longitudinally describe changes in heart rate variability (HRV) from 28 to 34 weeks postmenstrual age (PMA). A convenience sample of 31 low-risk preterm infants participated. HRV was quantified using a spectral analysis of heart periods and recorded during seven weekly test sessions from an electrocardiogram (ECG) signal. The total range of frequency components (0.04-2.0 Hz), high-frequency (HF) components (0.30-1.3 Hz), and ratio of low-to-high frequency (LF/HF) components (0.04-0.20/ 0.30-1.3 Hz) were measured. A mixed general linear model analysis revealed no significant change over weekly test sessions for the total, the high, and the ratio of LF/HF components. A significant interaction effect was, however, noted in the HF components for test session x gender (df = 1; F = 4.85; p = .030). With increasing age, the HF components for females increased or displayed a pattern of HRV indicative of a more mature autonomic nervous system (ANS). Study findings warrant further investigation of the impact of gender on normative descriptions of HRV.
A generalized processor sharing approach to flow control in integrated services networks: the single-node case (1993)

The problem of allocating network resources to the users of an integrated services network is investigated in the context of rate-based flow control. The network is assumed to be a virtual circuit, connection-based packet network. It is shown that the use of generalized processor sharing (GPS), when combined with leaky bucket admission control, allows the network to make a wide range of worst-case performance guarantees on throughput and delay. The scheme is flexible in that different users may be given widely different performance guarantees and is efficient in that each of the servers is work conserving. The authors present a practical packet-by-packet service discipline, PGPS that closely approximates GPS. This allows them to relate results for GPS to the packet-by-packet scheme in a precise manner. The performance of a single-server GPS system is analyzed exactly from the standpoint of worst-case packet delay and burstiness when the sources are constrained by leaky buckets. The worst-case session backlogs are also determined.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">></ETX>
Characteristics of harmonic indexes of the arterial blood pressure waveform in polycystic ovary syndrome (2014)

The results of the present study suggest that harmonic-analysis indexes of the BPWs could provide information about the arterial pulse transmission (by monitoring Cn) and cardiovascular regulatory activities (by monitoring CVn). These findings could aid the development of an easy-to-perform, noninvasive, and continuous monitoring technique to improve the detection of PCOS-induced hemodynamic changes.
Self-assembled GaAs antiwires in In0.53Ga0.47As matrix on (100) InP substrates (2002)

The growth of GaAs antiwires in the In0.53Ga0.47As matrix on InP substrate has been investigated. The periodic, wire-like structure was obtained when a proper amount of GaAs was deposited. The grown antiwires have a height about 1.2–2.0 nm and a period about 23 nm. Using an In0.53Ga0.47As/In0.52Al0.48As modulation-doped structure, the effect of the GaAs antiwires on the two-dimensional electron gas mobility was investigated. For the sample with antiwires near the two-dimensional channel, a significant anisotropy in low temperature mobility was observed.
A New Test of the Three-Moment Capital Asset Pricing Model (1989)

This paper tests the Kraus-Litzenberger (1976) three-moment capital asset pricing model using Hansen's (1982) generalized method-of-moments (GMM). The GMM approach does not impose strong distributional assumptions on the asset returns. This is an interest? ing issue since there is no obvious multivariate distribution for returns that also exhibits co-skewness. Using monthly stock returns to test the model, there is some evidence that systematic skewness is priced.
An explicit RC-circuit delay approximation based on the first three moments of the impulse response (1996)

Due to its simplicity, the ubiquitous Elmore delay, or first moment of the impulse response, has been an extremely popular delay metric for analyzing RC trees and meshes. Its inaccuracy has been noted however and it has been demonstrated that higher order moments can be mapped to dominant pole approximations (e.g. AWE) in the general case. The first three moments can be mapped to a two pole approximation, but stability is an issue and even a stable model results in a transcendental equation that must be iteratively evaluated to determine the delay. We describe an explicit delay approximation based on the first three moments of the impulse response. We begin with the development of a provably stable two pole transfer function/impedance model based on the first three moments (about s=0) of the impulse response. Then, since the model form is known, we evaluate the delay (any waveform percentage point) in terms of an analytical approximation that is consistently within a fraction of 1 percent of the exact solution for this model. The result is an accurate, explicit delay expression that will be an effective metric for high speed interconnect circuit models.
Oxidation of Cycloalkanes in a Radiofrequency Plasma (1991)

Abstract Cyclopentane, cyclohexane, cycloheptane, and cyclooctane were reacted in a radiofrequency plasma containing oxygen to give mixtures of the corresponding cycloalkanones and cycloalkanols. Tetralin was also oxidized to 1-tetralone and 1-tetralol. Based on the effects of reaction variables on the oxidation rate, the reaction scheme involving the autoxidation of cycloalkyl radicals was proposed.
Kinetics and mechanism of dehydrochlorination of <i>N</i>-aryl-<i>C</i>-ethoxycarbonylformohydrazidoyl chlorides (1986)

The kinetics of triethylamine (TEA) catalyzed deydrochlorination of a series of N-aryl-C-ethoxycarbonylformohydrazidoyl chlorides 1a–m have been studied under pseudo-first-order conditions in 4:1 (v/v) dioxane–water solution at 30 °C. For all compounds studied, the kinetics followed the rate law: k obs = k 2 (TEA). The values of the overall second-order rate constants for the studied compounds were correlated by the equation: log k 2 = 0.533σ − -0.218. The results are compatible with a mechanism involving a fast reversible deprotonation step leading to the anion of 1, followed by rate-determining step involving the loss of the chloride ion from the anion. The reaction constants of these two steps were estimated to be 0.845 and −0.312, respectively.