Miracle-dz/UniFAR-FTUs huggingface dataset:
Heterogeneous CeO2 catalyst for the one-pot synthesis of organic carbamates from amines, CO2 and alcohols

Heterogeneous CeO2 catalyst can catalyze the one-pot synthesis of methyl benzylcarbamate from benzylamine, CO2 and methanol. The yield of methyl benzylcarbamate reached 92% at >99% benzylamine conversion and 92% benzylamine-based selectivity even in the absence of the dehydrating agents. The catalyst is reusable after the calcination at 873 K for 3 h. Various carbamates can be synthesized with good yield and high selectivity by the reaction of amines + CO2 + alcohols over CeO2. The main formation route of methyl benzylcarbamate is suggested to be the reaction of dimethyl carbonate or the precursor of dimethyl carbonate formation with benzylamine.
ParTejas

In this article, we present the design of a novel parallel architecture simulator called ParTejas. ParTejas is a timing simulation engine that gets its execution traces from instrumented binaries using a fast shared-memory-based mechanism. Subsequently, the waiting threads simulate the execution of multiple pipelines and an elaborate memory system with support for multilevel coherent caches. ParTejas is written in Java and primarily derives its speedups from the use of novel data structures. Specifically, it uses lock-free slot schedulers to design an entity called a parallel port that effectively models the contention at shared resources in the CPU and memory system. Parallel ports remove the need for fine-grained synchronization and allow each thread to use its local clock. Unlike conventional simulators that use barriers for synchronization at epoch boundaries, we use a sophisticated type of barrier, known as a phaser. A phaser allows threads to perform additional work without waiting for other threads to arrive at the barrier. Additionally, we use a host of Java-specific optimizations and use profiling to effectively schedule the threads. With all our optimizations, we demonstrate a speedup of 11.8× for a multi-issue in-order pipeline and 10.9× for an out-of-order pipeline with 64 threads, for a suite of seven Splash2 and Parsec benchmarks. The simulation error is limited to 2% to 4% as compared to strictly sequential simulation
Polyol Synthesis of Silver Nanowires: An Extensive Parametric Study

Silver nanowires have been synthesized by a polyol process. A detailed parametric study determining the relationship between final morphology of the products and temperature, injection rate, molar ratio of poly(vinylpyrrolidone) to silver nitrate, sodium chloride amount, and stirring rate is presented. The as-synthesized silver nanowires are analyzed by scanning electron microscopy (SEM), transmission electron microscopy (TEM) and X-ray diffraction (XRD). The dependency of nanowire morphology and aspect ratio on synthesis parameters is shown via SEM images. Furthermore, the nanowire diameter is found to decrease with stirring rate, poly(vinylpyrrolidone) to silver nitrate molar ratio, and temperature and to increase with injection rate. The lack of sodium chloride and its presence in excess amounts resulted in the formation of particles with different sizes in addition to nanowires. In addition, poly(vinylpyrrolidone) to silver nitrate molar ratio is found to affect the morphology of the resulting nanostr.
WORKING PAPER SERIES IMPERFECT COMPETITION , COMPENSATING DIFFERENTIALS AND RENT SHARING

The primary goal of our paper is to quantify the importance of imperfect competition in the U.S. labor market by estimating the size of rents earned by American firms and workers from ongoing employment relationships. To this end, we construct a matched employer-employee panel data set by combining the universe of U.S. business and worker tax records for the period 2001-2015. We describe several important features of the U.S. labor market, including the size of firm-specific wage premiums, the sorting of workers to firms, the production complementarities between high ability workers and productive firms, and the pass-through of firm and market shocks to workers' wages. Guided by these empirical results, we develop, identify and estimate an equilibrium model of the labor market with two-sided heterogeneity where workers view firms as imperfect substitutes because of heterogeneous preferences over non-wage job characteristics. The model allows us to draw inference about imperfect competition, compensating differentials and rent sharing. We also use the model to quantify the relevance of non-wage job characteristics and imperfect competition for inequality and tax policy, to assess the economic determinants of worker sorting, and to offer a unifying explanation of key empirical features of the U.S. labor market. Thibaut Lamadon Department of Economics University of Chicago 1126 East 59th Street Chicago, IL 60637 and NBER lamadon@uchicago.edu Magne Mogstad Department of Economics University of Chicago 1126 East 59th Street Chicago, IL 60637 and NBER magne.mogstad@gmail.com Bradley Setzler Department of Economics University of Chicago 1126 East 59th Street Chicago, IL 60637 bradley.setzler@gmail.com A data appendix is available at http://www.nber. org/data-appendix/w25954
Data Structures and Algorithms with Object-Oriented Design Patterns in Java

Algorithm Analysis. Asymptotic Notation. Foundational Data Structures. Data Types and Abstraction. Stacks, Queues, and Deques. Ordered Lists and Sorted Lists. Hashing, Hash Tables, and Scatter Tables. Trees. Search Trees. Heaps and Priority Queues. Sets, Multisets, and Partitions. Garbage Collection. Algorithmic Patterns and Problem Solvers. Sorting Algorithms and Sorters. Graphs and Graph Algorithms. Appendices. Bibliography. Index.
The effectiveness of population-wide, rapid antigen test based screening in reducing SARS-CoV-2 infection prevalence in Slovakia

Non-pharmaceutical interventions have been extensively used worldwide to limit the transmission of SARS-CoV-2, but they also place an enormous social and economic burden on populations . We report the results of recent mass testing for SARS-CoV-2 in Slovakia where rapid antigen tests were used to screen the whole population and to isolate infectious cases together with their household members. Prevalence of detected infections decreased by 58% (95% CI: 57-58%) within one week in the 45 counties that were subject to two rounds of mass testing. Adjusting for geographical clustering and differences in attendance rates and the epidemiological situation at the time of the first round, this changed to 61% (95% CI: 50-70%). Adjusting for an estimated growth rate in infections of 4.4% (1.1-6.9%) per day in the week preceding the mass testing campaign and the corresponding expected growth in infection prevalence, the estimated decrease in prevalence compared to a scenario of unmitigated growth was 70% (67-73%). Using a microsimulation model we find that this decrease can not be explained solely by infection control measures that were introduced in the weeks preceding the intervention, but requires the additional impact of isolation as well as quarantine of household members of those testing positive during the mass testing campaign.
Identifying those at risk of reattendance at dischargefrom emergency departments using explainablemachine learning

Short-term reattendances to emergency departments are a key quality of care indicator. Identifying patients at increased risk of early reattendance can help reduce the number of patients with missed or undertreated illness or injury, and could support appropriate discharges with focused interventions. In this manuscript we present a retrospective, single-centre study where we create and evaluate a machine-learnt classifier trained to identify patients at risk of reattendance within 72 hours of discharge from an emergency department. On a patient hold-out test set, our highest performing classifier obtained an AUROC of 0.748 and an average precision of 0.250; demonstrating that machine-learning algorithms can be used to classify patients, with moderate performance, into low and high-risk groups for reattendance. In parallel to our predictive model we train an explanation model, capable of explaining predictions at an attendance level, which can be used to help inform the design of interventional strategies.
Cross‐linking agents for the protection of lyocell against fibrillation: synthesis, application and technical assessment of 2,4‐diacrylamidobenzenesulphonic acid

A novel, colourless, water soluble, anionic cross-linking agent, 2,4-diacrylamidobenzenesulphonic acid, has been synthesised, applied to lyocell by a pad-steam method and the wet abrasion resistance measured. The agent furnished cross-linked lyocell fibres with good wet abrasion resistance and stable lyocell-agent bonds to subsequent hot exhaust reactive dyeing conditions. Surprisingly, the fibre-agent bonds showed some instability to polyester dyeing conditions at pH 4 5 and 5.0. This is rationalised in terms of hydrolysis of the amide bond ortho to the sulphonic acid group via a neighbouring group participation mechanism.
Pore‐space CO2 dynamics in a deep, well‐aerated soil

Most studies implicitly consider soil carbon dioxide (CO2) efflux as the instantaneous soil respiration and thereby neglect possible changes in the amount of CO2 stored in the soil pore‐space. We measured the CO2 concentration profile of a well‐aerated soil continuously to evaluate the dynamics of the stored CO2 and to analyse the influence of environmental factors. For 25% of the observation period, changes in the amount of stored CO2 accounted for more than 15% of the soil‐CO2 efflux. The following factors were identified to interfere with steady‐state CO2 storage: (i) the fluctuating groundwater table altered the volume of the vadose zone, causing viscous airflow in air‐filled soil pores, (ii) atmospheric turbulence caused pressure‐pumping at the soil–atmosphere interface and (iii) intense rain greatly reduced the diffusivity of the uppermost soil layer. The friction velocity above the canopy was strongly correlated with fluctuations in the differential pressure between soil air and atmosphere, but no static pressure gradient could be detected because of the permeable nature of the soil. Unexpected short‐term declines in the soil CO2 concentration were observed during intense rainfall events. These declines were explained by the intensified CO2 saturation deficit of the infiltrating rainwater caused by the carbonate chemistry of the soil solution.
Using Raman Microscopy to Detect Leaks in Micromechanical Silicon Structures

We demonstrate the use of Raman microscopy for leak detection in hermetically sealed micromachined accelerometers. Leaks were indicated by the presence of a foreign gas, in this case oxygen, in the 70-μm-deep cavity enclosing the accelerometer between a silicon cap and a Pyrex® window. Confocal, nondiffraction-limited operation of the Raman microscope utilized the available pathlength in the sample while still rejecting most of the fluorescence from the Pyrex®. Raman peak intensities were accurately determined in the presence of noise by fitting the spectra to a function that modeled the unresolved Q-branch line shapes of oxygen and nitrogen.
A strong reduction in the density of near-interface traps at the SiO2∕4H‐SiC interface by sodium enhanced oxidation

This paper demonstrates how sodium enhanced oxidation of Si face 4H‐SiC results in removal of near-interface traps at the SiO2∕4H‐SiC interface. These detrimental traps have energy levels close to the SiC conduction band edge and are responsible for low electron inversion channel mobilities (1–10cm2∕Vs) in Si face 4H‐SiC metal-oxide-semiconductor field effect transistors. The presence of sodium during oxidation increases the oxidation rate and suppresses formation of these near-interface traps resulting in high inversion channel mobility of 150cm2∕Vs in such transistors. Sodium is incorporated by using carrier boats made of sintered alumina during oxidation or by deliberate sodium contamination of the oxide during the formation of the SiC∕SiO2 interface.
X-ray scattering profiles of some normal and malignant human breast tissues

The angular distribution of photons scattered by breast tissue samples (20 normal and 13 malignant) was measured in the interval of momentum transfer 0.02 A−1 ≤ x ≤ 0.62 A−1, using a powder diffractometer apparatus operating in reflection mode and equipped with a monochromator in the scattering beam. The x-ray tube had a Cu anode and added Ni filtration. Experimental data was corrected for all background sources, polarization, self-attenuation and geometric effect in order to provide the linear differential scattering coefficient µs (scattering profile) of each sample. Discriminant analysis was applied to these profiles in order to quantify the differences existing between normal and malignant tissues. In this analysis, each momentum transfer measured was considered as an independent variable, and the scores of each sample on a discriminant function were obtained. The classification method of decision tree induction was applied to these scores, which allowed tissue characterization. The classification results were validated and compared with histological sample classifications obtained by microscopic analyses. The results have shown that discriminant analysis was able to successfully identify differences between the scattering profiles from normal and malignant tissues. Also, classification results allowed the correct identification of 97% of the analyzed samples. These results suggest that the scattering profile may be an effective marker to be used in the diagnosis of breast cancer. Copyright © 2006 John Wiley & Sons, Ltd.
Comparison of TCE Transformation Abilities of Methane- and Propane-Utilizing Microorganisms

Subsurface microorganisms from McClellan Air Force Base (AFB) were grown in batch aquifer microcosms on methane, propane, and butane to evaluate the potential for aerobic trichloroethylene (TCE) cometabolism. Microorganisms stimulated on all three substrates indicated the existence of a subsurface microbial community capable of utilizing alkanes as growth substrates. Initial growth substrate utilization lag periods of 2 weeks for methane and 3 weeks for propane and butane were observed. Methane- and propane-utilizers were active toward TCE cometabolism, whereas butane-utilizers showed no ability to transform TCE. Gradually increasing TCE concentrations were effectively transformed with uniform additions of methane and propane for up to 1 year. TCE was transformed most rapidly during active methane utilization, and continued at a slower rate for approximately 1 week after methane was consumed. Propane microcosms maintained first-order TCE transformation for up to 4 weeks after propane was consumed. The mic.
Mathematical Analysis of a Series of 4-Acetylamino-2-(3,5-dimethylpyrazol-1-yl)-6-pyridylpyrimidines: A Simple Way to Relate Quantum Similarity to Local Chemical Reactivity Using the Gaussian Orbitals Localized Theory

Molecular Quantum Similarity (MQS) descriptors and Density Functional Theory (DFT) based reactivity descriptors were studied for a series of 4-Acetylamino-2-(3,5-dimethylpyrazol-1-yl)-6-pyridylpyrimidines compounds used for Parkinson’s disease (PD) treatment. The quantification of the steric and electronic effects was shown through scales of quantitative convergence; such scales allow us to establish a methodology to quantify the similarity from the local chemical reactivity (Fukui Functions) point of view. This procedure provides new considerations in the local reactivity of the Adenosine receptor antagonists in a disease of difficult control as PD. In addition, we present new considerations to the localized bonding theory and show a new methodology for quantum similarity on the Fukui Functions. Considering that the Fukui functions under a condensation scheme may have ambiguities in the (DFT) context.
Increasing feedback seeking in public contexts : It takes two (or more) to tango

Two studies examined the effects of the feedback-seeking context on the feedback-seeking process. Previous research has suggested that the publicness of the feedback-seeking context influences the degree to which individuals seek performance feedback (S. J. Ashford & G. B. Northcraft, 1992; P. E. Levy, M. D. Albright, B. D. Cawley, & J. R. Williams, 1995). The current 2 studies extend the feedback-seeking model outlined by P. E. Levy et al. (1995) by examining the influence that contextual manipulations (i.e., source supportiveness and peer reactions) have on feedback seeking in the public context. Overall results suggest that the frequency of feedback seeking can be increased substantially in a public setting if the supportiveness of source and peer reactions are positive.
Effect of Microwave-Vacuum Drying on the Carotenoids Retention of Carrot Slices and Chlorophyll Retention of Chinese Chive Leaves

Abstract Microwave-vacuum drying, and combined microwave-vacuum with air or vacuum drying were investigated as potential methods for drying green and high-carotenoid vegetables of Chinese chive leaves and carrot slices. The samples were dried by microwave-vacuum until the moisture content reached about 20% (wet basis), and then by conventional air drying at the temperature of 45–50°C or conventional vacuum drying at the temperature of 55–60°C or by continued microwave-vacuum drying at lower power level to final moisture content about 6% (wet basis). The carotenoid retention of carrot slices and chlorophyll retention of Chinese chive leaves, dried by these methods, was evaluated and compared with those dried by freeze-drying and conventional hot-air drying. The comparison showed that the carotenoid retention of carrot slices and chlorophyll retention of chive leaves, dried by the current methods, was very close to or even as much as those dried by freeze-drying and much better than those dried by conventional hot-air. Blanching was not necessary when using microwave-vacuum drying or combined microwave-vacuum with conventional hot-air drying or vacuum drying, because the activity of enzymes which were responsible for the degradation of color was greatly reduced with extremely rapid decreasing of moisture, and because oxygen was absent in microwave-vacuum drying.
Comparison of methods to determine the anthropogenic CO2 invasion into the Atlantic Ocean

A comparison of different methods for estimating the anthropogenic CO 2 burden in the Atlantic Ocean is performed using referenced, high quality total dissolved inorganic carbon (DIC) data. The dataset is from two cruises through the center of the basin between 62°N and 43°S in 1991 and 1993. The specific anthropogenic input is determined utilizing empirical procedures as described in Gruber et al. (1996) and Chen and Millero (1979) to correct for remineralization and to estimate preanthropogenic endmembers. These estimates are compared with output of the Princeton ocean biogeochemical model and the NCAR ocean model. The results show that the specific inventories of anthropogenic carbon agree to within 20% but with different storage and uptake patterns. The empirical estimates differ because of assumptions about mixing and winter outcrop endmembers. The same remineralization quotients (Redfield ratios) were used for each method. Varying these constants within the range of literature values causes changes in specific inventories of similar magnitude as the differences observed with different methodologies. Comparison of anthropogenic CO 2 uptake and chlorofluorocarbon ages suggests that the anthropogenic CO 2 penetration in the North Atlantic is too shallow following the procedure according to Gruber et al. (1996), and too deep using those of Chen and Millero (1979). The results support these previous observations in that the uptake of CO 2 in the North Atlantic is disproportionate to its surface area. This is caused by a combination of deep water formation and deep winter mixed layers. DOI: 10.1034/j.1600-0889.1999. 00027.x
Classical conditioning of environmental cues to cigarette smoking.

Smoking-related cues tend to produce urges and cardiac responses in smokers. This reactivity has been assumed to reflect prior classical conditioning. However, little direct evidence exists supporting the notion that environmental cues can be classically conditioned to cigarette smoking. In this study, 8 smokers received 22 daily trials during which 2 cue complexes (comprising visual, olfactory, and auditory stimuli) were paired with smoking (CS+ trials) and not smoking (CS- trials). Reactivity to the environmental cues, as measured by self-report of urge and pulse rate, increased across CS+ trials, diverging from responses in the CS- trials. Reactivity was stronger among light smokers and those who verbalized awareness of smoking contingencies. Findings indicate that environmental cues can be classically conditioned to smoking.
Methane Decomposition on La2O3-Promoted Raney-Type Fe Catalysts

The catalytic decomposition of methane into hydrogen and carbon was studied on La2O3-promoted Raney-type Fe catalysts. Promoted catalysts were synthesized by in situ thermal treatment of physical mixtures of Raney Fe and La2O3. The catalysts were characterized by particle size measurement, Brunauer−Emmett−Teller method (BET), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and scanning electron microscopy (SEM). La2O3 acts as a textural promoter. XPS reveals charge transfer from La2O3 to Fe. Promoted Raney Fe catalyst with an optimum loading of La2O3 exhibited good performance in methane decomposition.
The Measurement of Structural Characteristics of Barley for Shochu Using Single‐Kernel Characterization System 4100 Crush‐Response Profiles

J. Inst. Brew. 111(2), 181–189, 2005 The selection of grain that is optimum for barley Shochu is not straightforward. Usually malting barley is used, but not all malting barley samples perform well in Shochu production. In addition there is a genotype × environment effect, so that a given variety may perform satisfactorily in one environment but not another. Therefore a method for testing samples for Shochu is required. This group has previously reported on the evaluation of barley for Shochu production using the Single Kernel Characterization System (SKCS) and demonstrated a significant correlation between the SKCS Hardness Index and pearling performance. The Hardness Index values are multivariate statistical predictions derived from an incremental change analysis of the crush-response profiles. In the present study, a detailed analysis was performed of the averaged SKCS Crush-Response Profiles of barley, obtained when measuring the SKCS Hardness Index. It was concluded that the morphological differences between averaged barley SKCS Crush-Response Profiles appear to allow barley varieties to be classified into four distinct classes. In addition, the elastic response to the crushing on the SKCS device of the aleurone layers of barley kernels yields a useful predictor of pearling quality /performance.