Miracle-dz/UniFAR-FTUs huggingface dataset:
Integrated Rolling Stock Planning for Suburban Passenger Railways

(02/12/2018) Integrated Rolling Stock Planning for Suburban Passenger Railways One of the core issues for operators of passenger railways is providing sufficient number of seats for passengers while keeping operating costs at a minimum. The process a railway operator undertakes in order to achieve this is called rolling stock planning. Rolling stock planning deals with deciding how to utilise the fleet of available train units in space and time. In this thesis, rolling stock planning has been studied, using as case study DSB S-tog, the suburban passenger railway operator of the City of Copenhagen. At DSB S-tog, the rolling stock planning process is subdivided according to time horizon into two subprocesses. Firstly, there is the long-term circulation planning process, in which planning is conducted for anonymous, virtual train units months in advance. Secondly, there is the short-term train unit dispatching process, which covers the execution of the long term circulation plan. In the train unit dispatching process, the anonymous, virtual train units from the circulation planning process will have real, physical train units assigned to them. The train unit dispatching process has a short-term time horizon of days, hours and minutes and makes sure the actual, real-world train services are performed. Disruptions are also handled in this process. In the long term circulation planning phase of rolling stock planning, a large number of railway-specific requirements must be taken into account: The physical railway infrastructure must be adhered to, e.g., platform and depot track capacities, the rules of the train control system and the order in which train units may be parked so as not to obstruct each other’s movements; All trains services of the timetable must have a least one train unit assigned; Only the available rolling stock can be used in the plan; The plan should provide seating capacity according to the passenger demand and provide an even distribution of flexible space for bicycles etc.; Planned shunting operations in the depot should have sucient personnel on duty; Train units must undergo interior and exterior cleaning, surface foil application and winter preparedness treatment at regular time intervals; At regular service distance intervals, train units must undergo scheduled maintenance etc., and consumables must be refilled; Certain train services must have train units with additional train control system equipment installed, special passenger counting equipment installed and/or perform predefined exposure of commercials.
One-pot construction of three dimensional CoMoO4/Co3O4 hybrid nanostructures and their application in supercapacitors

A facile one-pot hydrothermal method was developed to synthesize a CoMoO4/Co3O4 hybrid nanostructure where CoMoO4 nanosheets were supported by a hierarchical framework assembled by Co3O4 nanorods. The morphology and structure of this three dimensional nanocomposite were characterized in detail and a rational growth mechanism was proposed based on them. The unique structural features of our CoMoO4/Co3O4 hierarchical nanohybrid allow for high specific surface and multiple faradaic redox reactions for electrode materials of supercapacitors. Consequently, a high specific capacitance (1062.5 F g−1 at the current density of 1 A g−1) and an excellent cyclic performance (90.38% of the initial capacitance retained after 2000 cycles at a current density of 20 A g−1) were obtained. In addition, an asymmetric supercapacitor with high energy density of 31.64 W h kg−1 was achieved at a power density of 7270 W kg−1. This work thus provides an excellent candidate for high-performance supercapacitor fabrication.
Temperature and pH effects on the kinetics of 2-aminophenol auto-oxidation in aqueous solution

The kinetics of the auto-oxidation of 2-aminophenol (OAP) to 2-amino-phenoxazin-3-one (APX) was followed in air-saturated aqueous solutions and the influence of temperature and pH on the auto-oxidation rate was studied. The kinetic analysis was based on a spectrophotometric method following the increase of the absorbance of APX. The process follows first order kinetics according to the rate law—d[OAP]/dt=k′[OAP]. The experimental data, within the pH range 4–9.85, were analyzed using both differential and incremental methods. The temperature variation of the overall rate constant was studied at pH=9.85 within the range 25–50°C and the corresponding activation energy was evaluated.
Estimating the local mean for Bayesian maximum entropy by generalized least squares and maximum likelihood, and an application to the spatial analysis of a censored soil variable

The Bayesian maximum entropy (BME) method is a valuable tool, with rigorous theoretical underpinnings, with which to predict with soft (imprecise) data. The methodology uses a general knowledge base to derive a joint prior distribution of the data and the prediction by the criterion of maximum entropy; the hard (precise) and soft data are then processed using this prior distribution to yield a posterior distribution that provides the BME prediction. The general knowledge base commonly consists of the mean and covariance functions, which may be extracted from the data. The common method for extracting the mean function from the data is a generalized least squares (GLS) approach. However, when the soft data take the form of intervals of plausible values, this method can result in errors in the BME predictions. This paper suggests a maximum likelihood (ML) method for fitting the local mean. The two methods are compared in terms of their predictions, firstly on simulated random fields and then on a case study to predict the depth of soil using some censored data. The results show that the ML method can result in more accurate BME predictions; the degree of improvement over the GLS method depends on the parameters of the spatial covariance model.
Surface Modification of Small Particle TiO2 Colloids with Cysteine for Enhanced Photochemical Reduction: An EPR Study†

Surface complexation of colloidal titanium dioxide nanoparticles (40−60 A) with cysteine was investigated by electron paramagnetic resonance (EPR) and infrared (diffuse reflectance infrared Fourier transform−DRIFT) spectroscopies. Cysteine was found to bind strongly to the TiO2 surface, resulting in formation of new trapping sites where photogenerated electrons and holes are localized. Illumination of cysteine-modified TiO2 at 77 K resulted in formation of cysteine radicals with the unpaired electron localized on the carboxyl group. Upon warming to 150 K, these radicals are transformed into sulfur-centered radicals as observed by EPR spectroscopy. We have demonstrated the existence of two surface Ti(III) centers on cysteine-modified TiO2 particles having different extents of tetragonal distortion of the octahedral crystal field. Upon addition of lead ions, a new complex of cysteine that bridges surface titanium atoms and lead ions was detected by IR spectroscopy. Illumination of lead/cysteine-modified TiO.
Amperometric Urea Biosensor Using Aminated Glassy Carbon Electrode Covered with Urease Immobilized Carbon Sheet, Based on the Electrode Oxidation of Carbamic Acid

A large oxidation current can be observed when ammonium carbamate aqueous solution is electrolyzed using a glassy carbon electrode (GCE) at a potential exceeding 1.0 V vs. Ag/AgCl and amino groups are introduced at the surface of the GCE. Aminated GCE exhibits the electrocatalytic activity of the oxidation of ammonium carbamate that is produced from urea as an intermediate product of urease reaction, and a distinct oxidation current is observed when the aminated GCE is used to oxidize the urea in the urease solution. A novel amperometric determination method to detect urea has been developed. This method is based on the electrooxidation of carbamic acid produced during urease reactions. Urease is immobilized to polymaleimidostyrene (PMS) coated on the insulated amorphous carbon sheet set on the aminated GCE surface. A good linear relationship is observed between urea concentration and the electrolytic current of the urease-immobilized electrode in the concentration range from 0.5 mM to 21.0 mM. The proposed urea biosensor has an effective merit in that the interference resulting from ammonia and pH change caused by the urease reaction can be eliminated, differing from conventional urea biosensors.
Electrochemically reduced graphene oxide multilayer films as metal-free electrocatalysts for oxygen reduction

In this work we report on functional multilayer films containing electrochemically reduced graphene oxide (ERGO) by the alternating layer-by-layer (LBL) assembly of negatively charged graphene oxide (GO) and positively charged poly (diallyldimethylammonium chloride) (PDDA) in combination with an electrochemical reduction procedure. As a metal-free catalyst, the resulting [PDDA@ERGO] multilayer film possesses a remarkable electro-catalytic activity toward the oxygen reduction reaction (ORR) with superior methanol tolerance in alkaline media. Further research indicates that the unusual catalytic activity of the prepared hybrid films arises from synergetic chemical coupling effects between PDDA and ERGO. Importantly, the [PDDA@ERGO] multilayer film as a metal free oxygen reduction catalyst reported here is easy to build up with the advantages of fine control of the film thickness, being energy effective, fast and green without using dangerous and corrosive substances.
Synthesis of fullerenes

We present a review of the methods most frequently used for the synthesis of fullerenes and the changes that these methods have experienced since 1985 when Kroto and co-workers discovered C60. We also analyze the most important models that explain the mechanism of the formation of fullerenes in carbon soot, as well as the new methodologies that lead to the rational chemical synthesis of fullerenes and of fullerene fragments as precursors. Copyright © 2013 John Wiley & Sons, Ltd.
In Situ Electrokinetic Removal of Salts from Greenhouse Soil Using Iron Electrode

An electrokinetic (EK) field study was performed on a pilot scale (2.2 × 3.3 × 0.3 m3, W × L × D) in a greenhouse by using Fe electrodes and bentonite backfill. When a constant voltage gradient was applied, the current intensity was affected by electrode position, and the soil temperature increased with the current intensity. After the EK treatment, the soil pH was little changed and the cations were hardly removed because of the ion exchange in the bentonite. However, the anions were mostly removed by electromigration, resulting in the reduction of the soil electrical conductivity. The field study demonstrated that in situ EK process is feasible for the remediation of greenhouse soils. In addition, the improvement of EK system and the role of bentonite backfill were discussed.
THE ADSORPTION OF GASES ON PLANE SURFACES OF GLASS, MICA AND PLATINUM.

solutions investigated, the absorption index diminishing approximately 1% for a zyxwvutsrqponmlkjihgfedcbaZYXWVUTSRQPONMLKJIHGFEDCBA rise in temperature of one degree. 6. In liquid ammonia rough measurements of concentration showed the absorption index to be proportional to the total concentration of metal. 7. In methylamine the absorption index, at the wave length of the band maximum is also proportional to the total concentration of metal. At shorter wave lengths, however, deviations were observed, the absorption increasing more rapidly with concentration than Beers’ law would demand. The ratio of the absorption index at zyxwvutsrqponmlkjihgfedcbaZYXWVUTSRQPONMLKJIHGFEDCBA 650pp to that a t 53opp increases not only with increasing concentration of the metal but also with increasing concentration of the reaction product of the metal with methylamine, and probably also with increasing temperature. 8. These observations can be accounted for by the following hypotheses: The color in all cases is due to electrons combined with the solvent. In ammonia the dissociation of the metal into electrons is nearly complete, and the concentration of electrons uncombine4 with solvent is negligible compared with that of the solvated electrons. In other words, the solvation of the electrons is nearly complete. In methylamine, on the other hand, the concentration of un-ionized metal is no longer negligible and is responsible for the increased absorption a t the shorter wave lengths. The solvation of the electrons in methylamine is incomplete and diminishes as the temperature is increased.
Determination of Phenolic Antioxidants in Amazonian Medicinal Plants by HPLC with Pulsed Amperometric Detection

A wide range of chromatographic methods for the analysis of phenolic compounds in medicinal plants has been published over the years. However, no chromatographic methods with pulsed amperometric detection using a gold electrode have been described to analyze phenolic acids and flavonoids. Moreover, there is a lack of information regarding a modified mobile phase with β-cyclodextrin to determine these compounds in plants by RP-HPLC. For this reason, the present study developed and validated an HPLC–PAD method to determine 12 phenolic compounds in medicinal plants from Amazonia. The isocratic mobile phase was constituted by sodium phosphate 50 m mol L−1, methanol 30% (v/v), and β-cyclodextrin 1 m mol L−1 at pH 2.0. The method demonstrated low detection and quantification limits and robustness. The accuracy ranged from 82–114% for chlorogenic acid and rutin, respectively. Six species of medicinal plants from Amazonia used for medicinal and nutritional purposes were characterized and showed the presence of at least one of the phenolic compounds in the study.
Nonadditive three-body dipoles of inert gas trimers and H2⋯H2⋯H2: Long-range effects in far infrared absorption and triple vibrational transitions

Nonadditive, three-body dipoles are detected experimentally in far-infrared absorption by inert gas mixtures and in triple transitions, the absorption of a single photon by three molecules, each of which becomes vibrationally excited. In this work, we use perturbation theory to derive the nonadditive, three-body dipole of molecules A, B, and C of arbitrary symmetry, interacting at long range. Our results include linear induction, hyperpolarization, dispersion, and concerted induction–dispersion effects, with direct overlap damping. We derive exact, new equations for the dispersion and induction–dispersion dipoles, in terms of the polarizabilities and hyperpolarizabilities of A, B, and C, integrated over imaginary frequencies. With these, we obtain accurate numerical results for the dipoles of inert gas trimers and trimers containing H2, isotropically averaged over the orientations of the molecular axis. For application to heavier systems, we develop a new constant-ratio approximation, relating three-body .
Formic Acid Oxidation at Pt/H2O Interface from Periodic DFT Calculations Integrated with a Continuum Solvation Model

As an important class of catalytic reactions, the reaction at solid/liquid interfaces is less understood at the atomic level. From a theoretical point of view, the difficulty lies at the simultaneous consideration of the extended solid surface and the dynamic liquid environment. In taking the oxidation of formic acid (HCOOH → CO2 + H2) at the Pt(111)/H2O interface as the model system that has great potentials in direct fuel cells applications, this work combines density functional theory (DFT) slab calculations with a continuum solvation model to simulate the reactions at the metal/H2O interface for the first time. The solvation effect is treated by including (i) a few explicit water molecules as the core solvation shell and (ii) an implicit continuum solvation model to take into account the long-range electrostatic interaction from water solution. We show that formic acid can be directly oxidized to CO2 only in the presence of preadsorbed formate. Although the formate itself can not be oxidized to CO2 at.
Information processing organization of a biological neural network

Reservoir computing has been recently proposed as a paradigm of how the brain processes time-dependent complex information. It relies on a recurrent core of neurons, known as the reservoir, that receives and encodes complex inputs in a highdimensional phase space. Encoding takes place by combining the incoming input signal with the existing state of the network, which depends on past inputs. This provides this computational paradigm with its ability to process a temporally varying environment. While this concept was proposed a few years ago as a potential mechanism of information processing by the brain, and in spite of the overwhelming evidence of recurrent connectivity found in the brain, it has been difficult to validate this hypothesis given the extreme structural complexity of the mammalian brain. The aim of this thesis is to study how information is propagated within a biological neural network, using the connectome of C. elegans as a model system. This study may help to characterize possible biological network architectures such as Reservoir Computing that explain cognitive behaviors such as thermotaxis. This paradigm could help in the understanding of how a basic nervous system works, for further inferences in higher complex systems.
Electronic and Ionic Reactions at Atmospheric Gases

Abstract : Collisions involving charge transfer and charged rearrangement between some of the positive ions and neutral molecules present in the earth's upper atmosphere have been investigated in a crossed beam experiment at energies within the range 2 to 200 eV. The charged reaction products are identified in a mass spectrometer, and absolute cross sections for their production are obtained. Interpolation between these values and those obtained at thermal energy in afterglow experiments provides information on the variation of the cross sections with energy in the intervening energy interval. The influence of excited ions is examined in some detail. Ionization of N2 and H2 just above threshold has been investigated using monoenergetic electrons obtained with a 127-deg electrostatic energy selector. In both cases there was evidence of ionization occurring by autoionization as well as direct ionization. The agreement between our electron impact results and those obtained by photoionization for the autoionization processes is compared. In the case of H2, we have interpreted the structure in the second-derivative electron impact spectrum to be due to the rotational states of H2 and H2(+) taking part in the ionization process. (Author)
Method for Measuring the Degree of Maceration of Fermented Soybean

The force-deformation curve of bulk soybean fermented with Rhizopus could be described by the equation, F=C(Δe)n. The degree of maceration of fermented soybean (a measure of softness) was estimated by the n-value of the power of the equation and depended on the Rhizopus strain used. Of the Rhizopus strains tested, R. oligosporus TISTR3001 (well known as a dominant tempeh processing species) and Rhizopus sp. LKN (isolated from a tempeh starter) gave high degrees of maceration corresponding to n=1.3 (initial value of 1.8) and 1.6 (initial value of 1.8) respectively, for 60 h of fermentation of raw soybeans at 30°C. On the other hand, the R. oligosporus TISTR3001 and Rhizopus sp. LKN for sterilized soybeans decreased to n-values of 1.5 from initial value of 1.7 and to 1.3 from initial value of 1.7, respectively, for 60 h of fermentation at 30°C. n-Values less than 1.5 were considered to indicate a considerably high degrees of maceration.
Cage effect in the dissociation of van der Waals complexes RgI2 (Rg=Ar, Kr, Xe): A quasiclassical trajectory study

The dissociation dynamics of the RgI2 (Rg=Ar,Kr,Xe) van der Waals complexes have been studied using three‐dimensional quasiclassical trajectories. Specifically, the unimolecular dissociation of RgI2(B 3π) with initial I2 vibrational excitation above the Rg+I+I dissociation limit of the B 3π state was studied. In addition to complete dissociation to atoms, iodine ‘‘recombination’’ was observed to be a major reaction channel. This result is interpreted as a cage‐like effect due to the inert gas atom, which also carries away a large fraction of the energy when the complex dissociates to form I2. The reaction mechanism leading to the formation of molecular products has been found to involve both direct and long‐lived, complex trajectories. Dissociation of the complex RgI2 is favored by near collinear orientations. The decomposition kinetics of the complex are found to be complex and non‐RRKM in character. A four‐step reaction mechanism involving an explicit intramolecular energy transfer step is proposed to explain the calculated time dependence of the product concentrations. The calculated product vibrational distributions are in qualitative agreement with the experimental results.
Polyaniline nanotubes: conditions of formation

The courses of aniline oxidation with ammonium peroxydisulfate in aqueous solutions of strong (sulfuric) and in weak (acetic) acids, followed by temperature and acidity changes, are different. In solutions of sulfuric acid, granular polyaniline (PANI) was produced; in solutions of acetic acid, PANI nanotubes were obtained. The external diameter of the nanotubes was 100–300 nm, the internal cavity 20–100 nm, and the length extended to several micrometres. The morphology of PANI, granular or tubular, depends on the acidity conditions during the reaction rather than on the chemical nature of the acid. PANI nanotubes were also produced when aniline was oxidized in the absence of any acid. The bulk conductivity of PANI prepared in solutions of acetic acid was 0.08–0.27 S cm−1, depending on the acid concentration. Protonated PANI prepared in sulfuric and acetic acids were deprotonated with ammonium hydroxide to obtain PANI bases and the ammonium salt of the protonating acid. FTIR spectroscopy showed the differences in the molecular structure of the PANI bases. Irrespective of whether the polymerization was performed in solutions of sulfuric or acetic acid, PANI had hydrogen sulfate counter-ions only. The PANI morphology is thus not controlled by the nature of counter-ions. The acidity of the reaction medium determines the protonation of monomer, oligomer and polymer species. The chemistry of aniline oxidation is likely to be affected especially by the protonation of an intermediate in the pernigraniline form. It is proposed that, in the course of aniline oxidation, pH-dependent self-assembly of aniline oligomers predetermines the final PANI morphology. Copyright © 2005 Society of Chemical Industry
Evaluation of potential reserves of production for melting synthetic iron

У статті описано застосування інтелектуальної методології дослідження великих систем (ІМДВС) для обробки експериментальних даних серійних промислових плавок синтетичного чавуну і синтезу на основі отриманих результатів оптимального хімічного складу чавуну з заданим комплексом механічних властивостей