gebhart/patrepeval huggingface dataset:
Antimicrobial Hexaaquacopper(II) Complexes with Novel Polyiodide Chains (2021)

The non-toxic inorganic antimicrobial agents iodine (I<sub>2</sub>) and copper (Cu) are interesting alternatives for biocidal applications. Iodine is broad-spectrum antimicrobial agent but its use is overshadowed by compound instability, uncontrolled iodine release and short-term effectiveness. These disadvantages can be reduced by forming complex-stabilized, polymeric polyiodides. In a facile, in-vitro synthesis we prepared the copper-pentaiodide complex [Cu(H<sub>2</sub>O)<sub>6</sub>(12-crown-4)<sub>5</sub>]I<sub>6</sub> · 2I<sub>2</sub>, investigated its structure and antimicrobial properties. The chemical structure of the compound has been verified. We used agar well and disc-diffusion method assays against nine microbial reference strains in comparison to common antibiotics. The stable complex revealed excellent inhibition zones against <i>C. albicans WDCM 00054</i>, and strong antibacterial activities against several pathogens. [Cu(H<sub>2</sub>O)<sub>6</sub>(12-crown-4)<sub>5</sub>]I<sub>6</sub> · 2I<sub>2</sub> is a strong antimicrobial agent with an interesting crystal structure consisting of complexes located on an inversion center and surrounded by six 12-crown-4 molecules forming a cationic substructure. The six 12-crown-4 molecules form hydrogen bonds with the central Cu(H<sub>2</sub>O)<sub>6</sub>. The anionic substructure is a halogen bonded polymer which is formed by formal I<sub>5</sub><sup>-</sup> repetition units. The topology of this chain-type polyiodide is unique. The I<sub>5</sub><sup>-</sup> repetition units can be understood as a triodide anion connected to two iodine molecules.
Structure-Tunable Bidirectional Hybrid Nanowires via Multicompartment Cylinders (2009)

We present structure-tunable bidirectional inorganic-organic hybrid nanowires templated by soft multicompartment cylinders, possessing perfectly parallel compartments. The poly(2-vinylpyridine) compartments are used to bind nanoparticles via supramolecular coordination. The resulting hybrid nanowires are tunable in terms of the distribution of the inorganics in the corona. The two limiting cases are (a) perfectly aligned, parallel nanowires and (b) nanowires with one homogeneous corona. This approach demonstrates how advances in polymer architectures can be used to create novel hybrid materials of unprecedented complexity and very desirable architecture.
Transient annealing of selenium-implanted gallium arsenide using a graphite strip heater (1982)

A graphite strip heater has been used for transient annealing, at temperatures of 900–1140 °C, of GaAs wafers implanted at 300 °C with a 1×1015 cm−2 dose of 400-keV Se+ ions. The electrical activation of the implant produced by annealing at 1140 °C for 10 s yields a sheet resistivity of 25 Ω/⧠ and sheet carrier concentration of 1.8×1014 cm−2, compared with values of 35 Ω/⧠ and 1.1×1014 cm−2 obtained by conventional furnace annealing at 950 °C for 30 min.
Structural Studies on Human Erythrocyte Glycoproteins (1969)

Abstract Treatment of M- or N-active sialoglycopeptides, derived from human erythrocytes, with alkaline borohydride (0.1 m NaOH-0.4 m NaBH4, room temperature, 26 hours) released 25 to 30% of the carbohydrate as low molecular weight oligosaccharides. No difference was found in the composition of oligosaccharides obtained from M- or N-active erythrocytes. The most complex oligosaccharide (Component I) was a tetrasaccharide, N-acetylneuraminyl-(2 → 3)-β-d-galactopyranosyl-(1 → 3) [N-acetylneuraminyl-(2 → 6)]-d-N-acetylgalactosaminitol. In addition, the following compounds were identified: N-acetylneuraminyl-(2 → 3)-β-d-galactopyranosyl-(1 → 3)-d-N-acetylgalactosaminitol (Component II); N-acetylneuraminyl-(2 → 3)-β-d-galactitol (Component III); β-d-galactopyranosyl-(1 → 3)-d-N-acetylgalactosaminitol, together with free sialic acid, galactitol, N-acetylgalactosaminitol, 3-deoxy-d-glucitol, and the reduced Kuhn chromogen. It is concluded that the major, alkali-labile oligosaccharide of sialoglycopeptides is a tetrasaccharide and that other components are degradation products thereof.
Seasonal, Diurnal and Spatial Variations of Environmental Variables in Australian Livestock Buildings (2013)

To identify the most practical and representative sampling locations for air quality and environmental variables inside intensive piggery buildings, the variation in the spatial, diurnal and seasonal concentration of major airborne pollutants, and related environmental parameters, were analysed over a 2.5-day period at several locations within different piggery buildings. Major airborne pollutants including, ammonia, carbon dioxide, and airborne particles were monitored along with environmental parameters of airspeed, temperature and humidity. To determine the air quality within each building, cyclone attachments were installed to measure particles of less than 5 mm along with a seven hole sampler attachment to measure inhalable airborne particles. An Osiris optical particle counter also monitored the concentrations of airborne particles. Ammonia and carbon dioxide were monitored using a multi-gas monitoring machine and airspeed was measured using a hot-wired anemometer. Interesting patterns in the concentration of carbon dioxide, dust and ammonia were observed over time and space. Carbon dioxide, airspeed and dust concentration demonstrated an obvious circadian pattern. The difference in the concentrations of ammonia and carbon dioxide was not statistically significant at alternative sampling locations inside each building. However, the gravimetric measurements indicated that the concentrations of inhalable particles were not uniform throughout the buildings and proved to be higher above the walkways. Ammonia and respirable particle concentrations were significantly higher in summer when compared to winter conditions. These results combined, identified the most appropriate sampling times and sampling places for reliable evaluation of air quality in intensive livestock buildings.
OPTIMAL ENERGY MANAGEMENT SYSTEM OF PLUG-IN HYBRID ELECTRIC VEHICLE (2009)

Plug-in Hybrid Electric Vehicles (PHEV) are new generation Hybrid Electric Vehicles (HEV) with larger battery capacity compared to Hybrid Electric Vehicles. They can store electrical energy from a domestic power supply and can drive the vehicle alone in Electric Vehicle (EV) mode. According to the U.S. Department of Transportation 80 % of the American driving public on average drives under 50 miles per day. A PHEV vehicle that can drive up to 50 miles by making maximum use of cheaper electrical energy from a domestic supply can significantly reduce the conventional fuel consumption. This may also help in improving the environment as PHEVs emit less harmful gases. However, the Energy Management System (EMS) of PHEVs would have to be very different from existing EMSs of HEVs. In this thesis, three different Energy Management Systems have been designed specifically for PHEVs using simulated study. For most of the EMS development mathematical vehicle models for powersplit drivetrain configuration are built and later on the results are tested on advanced vehicle modeling tools like ADVISOR or PSAT. The main objective of the study is to design EMSs to reduce fuel consumption by the vehicle. These EMSs are compared with existing EMSs which show overall improvement. x In this thesis the final EMS is designed in three intermediate steps. First, a simple rule based EMS was designed to improve the fuel economy for parametric study. Second, an optimized EMS was designed with the main objective to improve fuel economy of the vehicle. Here Particle Swarm Optimization (PSO) technique is used to obtain the optimum parameter values. This EMS has provided optimum parameters which result in optimum blended mode operation of the vehicle. Finally, to obtain optimum charge depletion and charge sustaining mode operation of the vehicle an advanced PSO EMS is designed which provides optimal results for the vehicle to operate in charge depletion and charge sustaining modes. Furthermore, to implement the developed advanced PSO EMS in real-time a possible real time implementation technique is designed using neural networks. This neural network implementation provides sub-optimal results as compared to advanced PSO EMS results but it can be implemented in real time in a vehicle. These EMSs can be used to obtain optimal results for the vehicle driving conditions such that fuel economy is improved. Moreover, the optimal designed EMS can also be implemented in real-time using the neural network procedure described.
hOR17-4 as a potential therapeutic target (2004)

More than a decade ago, the unexpected finding of olfactory receptor expression in human testicular tissue led to speculation about a potential role of these chemoreceptors in various aspects of mature sperm behavior, especially sperm chemotaxis. Recently, first evidence in favor of this hypothesis was provided by the identification of hOR17-4, a testicular olfactory receptor that mediates human sperm chemotaxis in various bioassays. A detailed characterization of the receptor's molecular receptive range as well as the first description of a potent receptor antagonist could provide the basis for future applications in fertility treatment with important consequences in procreation and/or contraception.
Thermodynamic Modeling of Multi-Staged Extraction Systems for Chiral Separations through Coupled Analysis of Species Equilibria and Mass Transfer (2013)

A flexible and comprehensive model for predicting and optimizing separations of racemates of amino acids and other chiral metabolites in liquid-liquid multi-staged extraction systems is presented. Enantiomer partition coefficients are computed along the extraction path using multiple chemical equilibria theory and measured equilibrium formation constants for every complex formed in the two phases. The large number of speciation reactions typically occurring in ligand-exchange extraction systems requires the development of a robust numerical algorithm, and we present a method to rapidly and accurately solve the large nonlinear set of governing equations. Model performance is assessed through comparison to data for continuous extraction of various racemates within a series of hollow-fiber membrane modules. For each extraction, a chiral-ligand exchange selector molecule is solubilized in the organic phase flowing countercurrent to the aqueous phase into which the racemate is loaded. Enantiomer eluent profiles predicted at different conditions are in very good agreement with experiment. Through its predictive power, the model provides a useful in silico platform for optimizing these complex separations, and model results demonstrating this capability are presented.
Execution Traces as a Powerful Data Representation for Intelligent Tutoring Systems for Programming (2016)

The first intelligent tutoring systems for computer programming have been proposed more than 30 years ago, mostly focusing on well defined programming tasks e.g. in the context of logic programming. Recent systems also teach complex programs, where explicit modelling of every possible program and mistake is no longer possible. Such systems are based on data-driven approaches, which focus on the syntax of a program or consider the output for example cases.\nHowever, the system's understanding of student programs could be enriched by a deeper focus on the actual execution of a program. This requires a suitable data representation which encodes information of programming style as well as its functionality in a suitable way, thus offering entry points for automated feedback generation.\n\nIn this contribution we propose a representation of computer programs via execution traces for example input and demonstrate the power of this representation in three key challenges for intelligent tutoring systems: identifying the underlying solution strategy, identifying erroneous solutions and locating the errors in erroneous programs for feedback display.
Ectopic prostatic tissue: histogenesis and histopathological characteristics (2011)

Ectopic prostatic tissue is occasionally encountered in the lower urinary tract, most commonly in the bladder and urethra of males. Ectopic prostatic tissue has histological and immunohistochemical characteristics that are indistinguishable from those of normal prostatic tissue, and most likely represents the persistence of embryonic structures.
SNR characterization in distributed acoustic sensing (2016)

In this paper we study the SNR associated with acoustic detection in Rayleigh-based Distributed Acoustic Sensing (DAS) systems. The study is focused on phase sensitive DAS due to its superiority in terms of linearity and sensitivity. Since DAS is based on coherent interference of backscattered light from multiple scatterers it is prone to signal fading. When left unresolved, the issue of signal fading renders the associated SNR randomly dependent on position and time. Hence, its proper measurement and characterization requires statistical tools. Here such tools are introduced and a methodology for finding the mean SNR and its distribution is implemented in both experiment and simulation. It is shown that the distribution of the DAS-SNR can be obtained from the distribution of backscattered power in OTDR and the mean DAS-SNR is proportional to the energy of the interrogation pulse.
Protein molecular modeling shows residue T599 is critical to wild-type function of POLG and description of a novel variant associated with the SANDO phenotype (2018)

Sensory ataxic neuropathy with dysarthria and ophthalmoparesis (SANDO) is a rare phenotype resulting from pathogenic variants of mitochondrial DNA polymerase gamma (<i>POLG</i>). We modeled a novel <i>POLG</i> variant, T599P, that causes the SANDO phenotype and another variant at the same residue, p.T599E, to observe their effect on protein function and confirm the pathogenicity of T599P. Through neoteric molecular modeling techniques, we show that changes at the T599 residue position introduce extra rigidity into the surrounding helix-loop-helix, which places steric pressure on nearby nucleotides. We also provide a clinical description of the T599P variant, which was found in a 42-year-old female proband. The proband presented a 1-year history of progressive gait instability, dysarthria and foot numbness. Her neurologic examination revealed ataxic dysarthria, restricted eye movements, head and palatal tremors, reduced lower limb reflexes, distal multimodal sensory loss and a wide, unsteady ataxic gait. Electromyography studies indicated a sensory neuropathy. Whole-exome sequencing was pursued after tests for infectious, inflammatory and paraneoplastic causes were negative.
The Structures of Sinapic Acid Esters and Their Metabolism in Cotyledons of Raphanus sativus (1980)

Five sinapic acid esters were isolated from cotyledons of Raphanus sativus and have been iden­tified with the aid of electron impact (El)-, field desorption (FD)-mass spectrometry and NMR spectroscopy: 6,3′-disinapoylsucrose, sinapoylcholine (sinapine), 6-sinapoylglucoraphenine, 1-si- napoylglucose, and sinapoylmalate. Three of these derivatives are metabolically related in the se­quence sinapoylcholine →1 -sinapoylglucose →sinapoylmalate.
Suzuki-Miyaura Cross-Coupling of Unprotected, Nitrogen-Rich Heterocycles: Substrate Scope and Mechanistic Investigation (2013)

The Suzuki-Miyaura cross-coupling of unprotected, nitrogen-rich heterocycles using precatalysts P1 or P2 is reported. The procedure allows for the reaction of variously substituted indazole, benzimidazole, pyrazole, indole, oxindole and azaindole halides under mild conditions in good to excellent yields. Additionally, the mechanism behind the inhibitory effect of unprotected azoles on Pd-catalyzed cross-coupling reactions is described based on evidence gained through experimental, crystallographic, and theoretical investigations.
Tire model TMeasy (2007)

This paper describes the semi-physical tire model TMeasy for vehicle dynamics and handling analyses, as it was applied in the ‘low frequency tire models’ section of the research programme tire model performance test (TMPT). Despite more or less weak testing input data, the effort for the application of TMeasy remains limited due to its consequent ‘easy to use’ orientation. One particular feature of TMeasy is the wide physical meaning of its smart parameter set, which allows to sustain the identification process even under uncertain conditions. After a general introduction, the modelling concept of TMeasy is compactly described in this paper. Taking the standard tire interface (STI) to multibody simulation system (MBS) software into account, the way to apply TMeasy is briefly shown. This includes three selected examples of application. The final comments of the authors on TMPT describe the experiences and earnings received during the participation in that programme.
Abstract system-level models for early performance and power exploration (2012)

With increasing complexity of today's embedded systems, research has focused on developing fast, yet accurate high-level and executable models of complete platforms. These models address the need for hardware/software co-simulation of the entire system at early stages of the design. Traditional models tend to be either slow or inaccurate. In this paper, we present ingredients for a class of abstract, high-level platform models that enable fast yet accurate performance and power simulation of application execution on heterogeneous multi-core/-processor architectures. Models are based on host-compiled simulation of the application code, which is instrumented with timing and power information. Back-annotated source code is further augmented with abstract OS and processor models that are integrated into standard co-simulation backplanes. The efficiency of the modeling platform has been evaluated by applying an industrial-strength benchmark, demonstrating the feasibility and benefits of such models for rapid, early exploration of the power, performance and cost design space. Results show that an accurate Pareto set of solutions can be obtained in a fraction of the time needed with traditional simulation and modeling approaches.
Single-Dose Pharmacokinetics of Indinavir and the Effect of Food (1998)

Indinavir sulfate is a human immunodeficiency virus type 1 (HIV-1) protease inhibitor indicated for treatment of HIV infection and AIDS in adults. The purpose of this report is to summarize single-dose studies which characterized the pharmacokinetics of the drug and the effect of food in healthy volunteers. Indinavir concentrations in plasma and urine were obtained by high-pressure liquid chromatography and UV detection assay methods. The results indicate that indinavir was rapidly absorbed in the fasting state, with the time to the maximum concentration in plasma occurring at approximately 0.8 h for all doses studied. Over the 40- to 1,000-mg dose range studied, concentrations in plasma and urinary excretion of unchanged drug increased greater than dose proportionally. The nonlinear pharmacokinetics were attributed to the dose-dependent oxidative metabolism of first-pass metabolism as well as to metabolism in the systemic circulation. Renal clearance slightly exceeded the glomerular filtration rate, suggesting a net tubular secretion component. At high concentrations in plasma, tubular secretion appeared to be lowered because there was a trend for a decreased renal clearance. Administration of 400 mg of indinavir sulfate following a high-fat breakfast resulted in a blunted and decreased absorption (areas under the concentration-time curves [AUCs], 6.86 microM.h in the fasted state versus 1.54 microM.h in the fed state; n = 10). However, two types of low-fat meals were found to have no significant effect on the absorption of 800 mg of indinavir sulfate (AUCs, 23.15 microM.h in the fasted state versus 22.71 and 21.36 microM.h, respectively, in the fed state; n = 11). Immediately following dosing, the concentrations of indinavir in urine often exceeded its intrinsic solubility. To reduce the risk of nephrolithiasis, it is recommended that indinavir sulfate be administered with water.
New Dawn? Stabilization in Western Europe After Locarno (2005)

The Locarno settlements were initialled on 16 October and signed in a quiet ceremony in London on 1 December. They consisted of a mutual guarantee of the western frontiers of Germany and the demilitarized Rhineland by the five European powers. France and Germany, and Belgium and Germany agreed not to attack or invade or make war against each other except as a result of a decision of the League or as the consequence of a violation of the Rhineland guarantee. The countries pledged themselves to accept arbitration in cases of unresolved disputes. Alleged breaches of the treaty would be brought before the League, ‘flagrant violations’ would result in immediate action by the guarantors, Britain and Italy, without recourse to the League.
High conversion polymerization. VI. Detailed examination of the kinetic model (1980)

Abstract A previously developed model which has been used to describe the kinetic behavior of free radical polymerization in the region of the gel effect is here subjected to a detailed quantitative examination. It is shown, using data for the polymerization of methyl methacrylate, that the quasi‐steady‐state assumption is valid during the gel effect, and that the model provides a good description of the chain lengths and concentrations of different species present in the reaction. The postulate that primary radical termination becomes important as the gel effect advances is tested and found to be true.