gebhart/patrepeval huggingface dataset:
Exploration of a N-terminal disulfide bridge to improve the thermostability of a GH11 xylanase from <i>Aspergillus niger</i> (2016)

To improve the thermostability of xylanase XynZF-2 from Aspergillus niger XZ-3S, a disulfide bridge was introduced in the N-terminal domains by site-directed mutagenesis (V1C and E27C). Simultaneously, the active sites of XynZF-2 were predicted by bioinformatics software and verified by site-directed mutagenesis (E103D and E194D). The mutated active sites xynED- and the mutated disulfide bridge xynDC-encoding genes were constructed and expressed in Escherichia coli BL21 (DE3). Compared to the native xylanase, it was found that the residual activity of the mutated XynED was 0.17%. The optimum temperature of the variant XynDC was increased to 45°C from 40°C of XynZF-2. After treatment at 40°C for 60 min, the variant XynDC retained 66.77% of their original activity, while the XynZF-2 retained about 44.36% residual activity. t1/2(45°C) of the variant XynDC also increased from 7 min to 14 min. The results of the mutated xylanases indicated that the active center of XynZF-2 mainly consisted of two catalytic residues (Glu103 and Glu194), and the introduction of a disulfide bridge in the N-terminal domains can improve the thermostability of XynZF-2.
Potential thermoelectric material ${\mathrm{Cs}}_{2}[{\mathrm{PdCl}}_{4}]{{\rm{I}}}_{2}$: a first-principles study (2016)

The electronic structures and thermoelectric properties of are investigated by first-principles calculations and semiclassical Boltzmann transport theory. Both electron and phonon transport are considered to attain the figure of merit ZT. A modified Becke–Johnson exchange potential, including spin–orbit coupling (SOC), is employed to investigate the electron part of . It is found that SOC has an obvious effect on valence bands, producing huge spin–orbital splitting, which leads to a remarkable detrimental effect on the p-type power factor. However, SOC has negligible influence on conduction bands, so the n-type power factor hardly changes. The temperature dependence of lattice thermal conductivity by assuming an inverse temperature dependence is attained from a reported ultralow lattice thermal conductivity of 0.31 at room temperature. Calculating scattering time τ is challenging, but a hypothetical τ can be adopted to estimate thermoelectric conversion efficiency. The maximal figure of merit ZT is up to about 0.70 and 0.60 with scattering time τ = 10−14 s and τ = 10−15 s, respectively. These results convince us that may be an efficient thermoelectric material for real devices.
Idiopathic pulmonary fibrosis and pirfenidone (2010)

The last decade has seen important progress in the clinical investigation of idiopathic pulmonary fibrosis (IPF). Basic insights into mechanisms of fibroproliferation have been translated into novel investigational agents, networks of clinical centres capable of enrolling hundreds of patients in research studies have been developed, and multiple high-quality treatment trials have been successfully completed and published 1–5. These are all major accomplishments that unarguably move the field forward. But to patients and providers faced with this devastating diagnosis, there remain distressingly few management options, and no definitive therapy has yet been identified.

It is into this environment of hope and frustration that the latest clinical trial of pirfenidone arrives 6. It has been 11 years since a small trial of pirfenidone therapy in patients with IPF suggested a possible benefit 7, and substantial excitement surrounds the publication of these data. Do the results of Taniguchi et al. 6 justify the use of pirfenidone in patients with IPF? Ultimately, this is for the academic and regulatory communities to decide. This editorial aims to inform the discussion by summarising the results and limitations of this important trial.

275 subjects were blindly randomised to high-dose pirfenidone, low-dose pirfenidone or …
Modeling motivation for adaptive nonplayer characters in dynamic computer game worlds (2008)

Current computer games are being set in increasingly more complex and dynamic virtual environments. Massively multiplayer online games, for example, are played in persistent virtual worlds, which evolve and change as players create and personalize their own virtual property. In contrast, technologies for controlling the behavior of nonplayer characters that populate virtual game worlds are frequently limited to preprogrammed rules. Characters using fixed rule-sets lack the ability to adapt in time with their environment. Motivated reinforcement learning offers an alternative to character design that can achieve nonplayer characters that both evolve and adapt in dynamic environments. This article presents and evaluates two computational models of motivation for use in nonplayer characters in persistent computer game worlds. These models represent motivation as an ongoing search for novelty, interest, and competence. Two metrics are introduced to evaluate the adaptability of characters controlled by motivated reinforcement learning agents using different models of motivation. These metrics characterize the behavior of nonplayer characters in terms of the variety and complexity of learned behaviors. An empirical evaluation of characters in simulated game scenarios shows that characters motivated by the search for competence are more adaptable in dynamic environments than those motivated by interest and novelty alone.
Modeling water diffusion anisotropy within fixed newborn primate brain using Bayesian probability theory (2005)

An active area of research involves optimally modeling brain diffusion MRI data for various applications. In this study Bayesian analysis procedures were used to evaluate three models applied to phase-sensitive diffusion MRI data obtained from formalin-fixed perinatal primate brain tissue: conventional diffusion tensor imaging (DTI), a cumulant expansion, and a family of modified DTI expressions. In the latter two cases the optimum expression was selected from the model family for each voxel in the image. The ability of each model to represent the data was evaluated by comparing the magnitude of the residuals to the thermal noise. Consistent with previous findings from other laboratories, the DTI model poorly represented the experimental data. In contrast, the cumulant expansion and modified DTI expressions were both capable of modeling the data to within the noise using six to eight adjustable parameters per voxel. In these cases the model selection results provided a valuable form of image contrast. The successful modeling procedures differ from the conventional DTI model in that they allow the MRI signal to decay to a positive offset. Intuitively, the positive offset can be thought of as spins that are sufficiently restricted to appear immobile over the sampled range of b-values.
Geostatistics: Modeling Spatial Uncertainty (2000)

Preliminaries. Structural Analysis. Kriging. Intrinsic Model of Order k. Multivariate Methods. Nonlinear Methods. Conditional Simulations. Scale Effects and Inverse Problems. Appendix. References. Index.
Two methods for the measurement of antenna efficiency (1975)

Two methods for measuring antenna efficiency are described. The two methods, referred to as the Wheeler method and the <tex xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">Q</tex> method, are used to find the efficiency of electrically small multiturn loop antennas. The principal advantage of both methods is that they can be quickly and easily applied. Further, both methods relate the antenna efficiency to the input impedance rather than a far-field pattern integration. Thus, the methods are applicable at VHF and frequencies below where the design of an antenna range or anechoic chamber becomes increasingly difficult and expensive.
Breast cancer evaluation by fluorescent dot detection using combined mathematical morphology and multifractal techniques (2011)

Mathematical morphology and multifractal approach are used for colored dot detection and counting in FISH images. Initial results derived on clinical cases are promising. Note that the overlapping of colored dots, particularly red/orange dots, needs additional improvements in post-processing.
A preliminary study of desipramine in the treatment of cocaine abuse in methadone maintenance patients. (1987)

Intravenous cocaine use is a major problem in methadone maintenance programs. In this pilot study of 16 cocaine-abusing methadone maintenance patients, 8 received desipramine and 8 received no medication other than methadone. During an 8-week open trial the desipramine patients reported significantly less cocaine craving and had less cocaine use than the other patients.
Design, Fabrication, and Testing of a Membrane Piezoelectric Tactile Sensor with Four Sensing Elements (2007)

We presented design, fabrication, and testing of a novel membrane tactile sensing system with only four sensing elements. By using membrane stress combined with triangulation approach, it was possible to overcome the problems such as cross-talk between sensing elements, fragility, and complexity. The fabrication of the sensing elements performed using photolithographic and etching techniques. Position, orientation, and magnitude of applied loads through various flat shaped probes can be determined, by using only four sensing elements.
Extensions of a performance index and detection of static friction in process control loops (1998)

Extensions of a performance index and detection of static friction in process control loops
Iron–sulfur clusters in ionic polymers on electrodes (1993)

Iron–sulfur clusters have been incorporated in cationic polymers at electrode surfaces; the methodology for the assembly of such structures, and their characterisation by reflectance Fourier-transform (FT) IR, EPR and electrochemical techniques, is given. The stoichiometries of the cluster-electrode assemblies are self regulated by the necessity to maintain charge neutrality during redox cycling. Thus the assembly produced by the incorporation of [Fe4S4(SPh)4]2– in [C4H4N(CH2)3NMe3]+3[BF4]– polymer (C4H4N = pyrrol-1-yl) adopts a composition close to [C4H4N(CH2)3NMe3]+3[Fe4S4(SPh)4]2–[BF4]–. Electron-transfer and ligand-exchange reactions of polymer-bound clusters have been studied. Electrostatic (ion-pairing) effects are shown to modulate redox potentials and thus E°′ values for [Fe4S4(SPh)4]2–/3– and other couples are generally shifted to potentials positive of those observed in solution. Chronocoulometric measurements show that apparent diffusion coefficients (Dapp) for the one-electron reduction of [Fe4S4(SCH2Ph)4]2– and [Fe4S4(SPh)4]2– are about an order of magnitude greater than that for the reduction of the corresponding trianionic cubanes. This appears to be a consequence of different mechanisms of charge propagation within the polymer films: electron hopping enhances Dapp for the 2-/3- couples whereas for the 3-/4- process, a physical diffusional mechanism probably dominates, with Dapp close to the value for pure diffusion. As estimated by assumption of the simple Dahms-ruff model, the rate constant kex for the electron self exchange reaction between [Fe4S4(SCH2Ph)4]2– and [Fe4S4(SCH2Ph)4]3– within the cationic film, is relatively high at ca. 103 dm3 mol–1 s–1. This is turn suggests that polymer-confirmed clusters operating at the 2-/3- level might well be effective mediators for electron transfer to (co-trapped) substrate reducing sites.
Dietary <scp>l</scp> -Arginine Reduces the Progression of Atherosclerosis in Cholesterol-Fed Rabbits (1997)

Dietary L-arginine improves NO-dependent vasodilator function in cholesterol-fed rabbits and completely blocks the progression of plaques via restoration of NO synthase substrate availability and reduction of vascular oxidative stress. Lovastatin treatment has a weaker inhibitory effect on the progression of atherosclerosis and no effect on vascular NO elaboration, which may be due to its stimulatory effect on vascular superoxide radical generation.
Chinese herbs: a clinical review of Astragalus, Ligusticum, and Schizandrae. (1998)

Although Astragalus, Ligusticum and Schizandrae have a long history of medicinal use within the traditional Chinese system, only recently has the West begun to understand their pharmacological possibilities and clinical applications. Astragalus has demonstrated a wide range of immunopotentiating effects and has proven efficacious as an adjunct cancer therapy. Ligusticum, and its active components, have been investigated for enhancement of the immune system, treatment of ischemic disorders, and as an anti-inflammatory. Clinically, the hepato-protective and antioxidant actions of Schizandrae have proven beneficial in the treatment of chronic viral hepatitis.
An Implantable Blood Pressure and Flow Transmitter (1973)

A miniature totally implantable FM/FM telemetry system has been developed to simultaneously measure blood pressure and blood flow, thus providing an appreciation of the hemodynamics of the circulation to the entire body or to a particular organ. Developed for work with animal subjects, the telemetry system's transmission time is controlled by an RF signal that permits an operating life of several months.
Radioimmunoassay of Estradiol-17β Without Chromatography (1974)

Several radioimmunoassays for the estimation of estradiol-17β in serum have been reported. For the generation of antisera, the majority of these methods have used steroids conjugated to a carrier protein through sites on the A or D rings. The resulting antisera have shown considerable cross reactivity with related steroids necessitating the use of various chromatographic separation steps prior to the actual radioimmunoassay. The use of haptens in which the carrier protein was conjugated to a steroid molecule through carbon 6 on the B ring (1,2,3) has resulted in the production of highly specific antisera. Conjugation of the protein molecule to other positions which leave the A and D rings available for recognition by antibody should also result in the generation of antibodies with enhanced specificity. In this report, an antiserum was prepared to a conjugate of an 11β-hemisuccinate derivative of estradiol-17β to bovine serum albumin. The resulting antiserum appeared to be specific for 17β-estradiol and was sensitive to substitutions on the A, B and D rings. With the use-of this antiserum, it has been possible to develop a sensitive, accurate and specific radioimmunoassay for the estimation of estradiol-17β in sera from humans. This antiserum was sufficiently specific to allow the use of a simple benzene extract of serum without subsequent chromatography. The use of iodinated E2-β-11α-TME as labeled tracer further simplified the procedure by allowing the use of gamma ray spectrometry, rather than liquid scintillation counting with its attendant expense and inconvenience.
Management of varicella exposure in a neonatal intensive care unit (1989)

We describe the management of an exposure to varicella in a neonatal intensive care unit. Thirty-seven hospital staff members with negative histories of varicella were tested by enzyme-linked immunosorbent assay for antibody to varicella zoster; all were seropositive. None were restricted from clinical duties, were given varicella-zoster immune globulin, or developed disease. Although only 1 of 38 cord serum samples from normal term infants was seronegative, 10 of 22 neonatal intensive care unit infants were seronegative. The high rate of seronegativity among these patients was related to chronological age older than 2 months and to multiple transfusions of packed red blood cells. This probably reflects natural catabolism of maternal antibody and loss of antibody in serum removed from these infants for diagnostic tests. Infants lacking antibody were given varicella-zoster immune globulin. Antibody levels following administration of varicella-zoster immune globulin were directly related to the dose administered. (<i>JAMA</i>. 1989;261:1782-1784)
Managing neuropathic pain. (2007)

Pain may be the most common reason patients seek treatment from physicians. When persistent and unrelieved, pain can frustrate both the person suffering with this condition and the physician trying to alleviate it. Relief from such discomfort may be particularly difficult to achieve and fraught with misconceptions. Treatment usually requires trials of physical, pharmacologic, and surgical interventions to achieve resolution. In cases that remain insoluble, patients must accept partial relief and seek adaptive strategies. Sources of persistent pain may be nociceptive or neuropathic. Both utilize the same nerve pathways for transmission, but significant physiologic differences exist in mechanisms through which these painful stimuli are biologically processed and resolved. Nociceptive pain resulting from a known or obvious source (eg, trauma, cancer metastasis, ischemia, arthritis) is often easy to identify. Neuropathic pain, however, may occur in the absence of an identifiable precipitating cause. Physicians must remain alert to differences in presentation and course of neuropathic pain syndromes, some of which may be subtle or unusual.
Adhesive Properties of a Symbiotic Bacterium from a Wood-Boring Marine Shipworm (1990)

Adhesive properties of a cellulolytic, nitrogen-fixing bacterium isolated from a marine shipworm by Waterbury et al. (J. B. Waterbury, C. B. Calloway, and R. D. Turner, Science 221:1401-1403, 1983) are described. S-labeled cells of the shipworm bacterium bound preferentially to Whatman no. 1 cellulose filter paper, compared with its binding to other cellulose substrata or substrata lacking cellulose. The ability of the bacteria to bind to Whatman no. 1 filter paper was significantly reduced by glutaraldehyde or heat treatment of cells. Pretreatment of cells with azide, valinomycin, gramicidin-D, bis-hexafluoroacetylacetone (1799), or carbonyl cyanide-p-trifluoromethoxyphenylhydrazone inhibited adhesion activity. Cells pretreated with pronase or trypsin also exhibited reduced binding activity, but chymotrypsin and peptidase had no effect on adhesion activity. Cellodextrins and methyl cellulose 15 inhibited the adhesion of shipworm bacteria to filter paper, whereas glucose, cellobiose, and soluble carboxymethyl cellulose had no significant effect. The divalent cation chelators EDTA and EGTA [ethylene glycol-bis(beta-aminoethyl ether)-N,N,N'N'-tetraacetic acid] had little or no effect on adhesive properties of shipworm bacteria. Also, preabsorbing the substratum with extracellular endoglucanase isolated from the shipworm bacterium or 1% bovine serum albumin had no apparent effect on bacterial binding. Low concentrations (0.01%) of sodium dodecyl sulfate solubilized a fraction from whole cells, which appeared to be involved in cellular binding activity. After removal of sodium dodecyl sulfate, several proteins in this fraction associated with intact cells. These cells exhibited up to 50% enhanced binding to filter paper in comparison to cells which had not been exposed to the sodium dodecyl sulfate-solubilized fraction.
Preparation and Characterization of Optically Active Schiff Base-Oxovanadium(IV) and -Oxovanadium(V) Complexes and Catalytic Properties of These Complexes on Asymmetric Oxidation of Sulfides into Sulfoxides with Organic Hydroperoxides (1990)

Abstract Oxovanadium(V) complexes, VVO (Schiff base)Y (Y=ClO4, Cl, NO3), with quadridentate Schiff base ligands derived from optically active 1,2-diamines and salicylaldehyde or its derivatives were prepared by oxidizing the corresponding VIVO (Schiff base) with CeIV in acetonitrile followed by the addition of HY. The complexes were characterized by their 1H NMR, IR, UV-Vis, and circular dichroism spectra, and electrochemistry. Reversible reduction potentials (V5+/V4+) obtained by cyclic voltammetry for a series of oxovanadium(V) complexes with Schiff base ligands derived from 5-substituted salicylaldehydes showed a linear dependence on the Hammett parameter. Both the vanadium(IV) and the vanadium(V) complexes catalyze asymmetric oxidation of sulfides into the corresponding sulfoxides with organic hydroperoxides. The oxovanadium(IV) complex catalysts gave much better asymmetric induction than the oxovanadium(V) complex catalysts and in most cases the enantiomeric excess (ee) ranged between 20 and 40%. In the reaction of VIVO (Schiff base) with an organic hydroperoxide the complex is finally converted into the oxovanadium(V) species, and a dark brown intermediate is suggested to be the catalytically active species.
Ultrafine manganese dioxidenanowire network for high-performance supercapacitors (2010)

Ultrafine MnO(2) nanowires with sub-10 nm diameters have been synthesized by a simple process of hydrothermal treatment with subsequent calcinations to form networks that exhibit an enhanced specific capacitance (279 F g(-1) at 1 A g(-1)), high rate capability (54.5% retention at 20 A g(-1)) and good cycling stability (1.7% loss after 1000 cycles).
Early morning hyperglycaemia "dawn phenomenon" in non-insulin dependent diabetes mellitus (NIDDM): effects of cortisol suppression by metyrapone. (1990)

To assess the effect of metyrapone on the early morning plasma glucose (PG) rise, seven NIDDM patients were studied from 2400 to 0900 h on two separate occasions one week apart. During the control study nights, patients received conventional therapy only (diet plus sulphonylurea) whereas on treatment nights, patients received in addition 30 mg/kg metyrapone orally at 2400 h. The plasma glucose (PG) levels from 0530 to 0900 h were significantly higher during the control night than the corresponding values following metyrapone. The control mean PG concentrations increased continuously from a nadir 8.4 +/- 1.1 mmol/l at 0400 h to a maximum of 9.4 +/- 1.1 mmol/l at 0800 h (p less than 0.01). In contrast following metyrapone administration a continuous decline in the PG concentration was noted from 2400 to 0800 h. The plasma glucose levels fell from 9.0 +/- 1.2 at 0400 h to 7.7 +/- 1.0 mmol/l at 0800 h (p less than 0.05). The mean overnight cortisol levels were 167.2 +/- 13.2 and 55.9 +/- 6.4 nmol/l (p less than 0.001) during the control and treatment studies, respectively. The cortisol levels were significantly higher during the control study at all time points from 0400 to 0900 h. No significant changes in insulin, C-peptide, glucagon, GH or catecholamine levels were observed between the two study periods. We conclude that the physiologic early morning rise in plasma cortisol possibly contributes to the pathogenesis of the dawn phenomenon in NIDDM patients.
Analysis of First-Derivative Based QRS Detection Algorithms (2008)

Accurate QRS detection is an important first step for the analysis of heart rate variability. Algorithms based on the differentiated ECG are computationally efficient and hence ideal for real-time analysis of large datasets. Here, we analyze traditional first-derivative based squaring function (Hamilton-Tompkins) and Hilbert transform-based methods for QRS detection and their modifications with improved detection thresholds. On a standard ECG dataset, the Hamilton-Tompkins algorithm had the highest detection accuracy (99.68% sensitivity, 99.63% positive predictivity) but also the largest time error. The modified Hamilton-Tompkins algorithm as well as the Hilbert transform-based algorithms had comparable, though slightly lower, accuracy; yet these automated algorithms present an advantage for real-time applications by avoiding human intervention in threshold determination. The high accuracy of the Hilbert transform-based method compared to detection with the second derivative of the ECG is ascribable to its inherently uniform magnitude spectrum. For all algorithms, detection errors occurred mainly in beats with decreased signal slope, such as wide arrhythmic beats or attenuated beats. For best performance, a combination of the squaring function and Hilbert transform-based algorithms can be applied such that differences in detection will point to abnormalities in the signal that can be further analyzed.