Miracle-dz/UniFAR-FTUs huggingface dataset:
Enriching PSA Cycle for the Production of Nitrogen from Air

A novel 2-bed 4-step enriching pressure vacuum swing adsorption (PVSA) cycle was developed for the production of N2 from air, using an X-type zeolite, with the separation being equilibrium-driven. The four steps were low-pressure feed, countercurrent heavy product pressurization, countercurrent high-pressure heavy reflux, and cocurrent depressurization. The enriched heavy and light products (N2 and O2, respectively) were withdrawn from the system during the feed and heavy reflux steps, with both products being produced at the high pressure. In a series of 20 PVSA experiments, which were performed at a constant high-to-low-pressure ratio (π = 4.1), the effects of the feed and heavy product flow rates on the periodic state process performance were studied in terms of the O2 impurity, N2 recovery, N2 productivity, and feed throughput. The observed trends were as expected, with higher N2 recoveries (and corresponding N2 productivities) and O2 impurities generally being obtained at higher feed throughputs and .
A reliable and practical accelerated test method for predicting the long-term storage stabilities of aviation turbine fuels based on hydroperoxide formation

A reliable method is needed for predicting the long term storage stabilities of the military aviation turbine fuel reserves as well as for evaluating the effectiveness of antioxidants approved for these fuels. This paper addresses the successful development of such a method. The proposed test method entails measuring the hydroperoxide concentration formed after stressing at 100 o C and 345 kPa air overpressure for 24 h with the option to extend to 48 h should this be necessary. Application of the proposed test method to worldwide current production fuels attests to the sensitivity of the method in differentiating fuels with differing storage stabilities
Transfer in Reinforcement Learning with Successor Features and Generalised Policy Improvement

We propose a framework for transfer in reinforcement learning designed for the scenario where the reward function changes between tasks but the environment’s dynamics remain the same. Our approach rests on two key ideas: generalised policy improvement , a generalisation of dynamic programming’s policy improvement step that considers a set of policies rather than a single one, and successor features , a representation scheme that makes it possible to compute the value function of a policy under any reward function representable in a given form. Put together, the two ideas lead to a general transfer framework that integrates seamlessly within the reinforcement learning setting.
Temperature variation studies with Candida Antarctica Lipase B using single molecule recognition force microscopy

Atomic force microscopy (AFM) is an imaging technique that can provide high resolution images of a surface as well as information on a number of mechanical properties such as elasticity, deformation and adhesion. This final parameter can be exploited to measure the rupture force between two binding molecules in a procedure known as single molecule recognition force microscopy (SMRFM). One molecule is attached to the AFM tip and used to image the second molecule. This process has been applied to many areas including drug research, materials science and biochemistry. The main purpose of this work was to use SMRFM to investigate the enzyme Candida Antarctica Lipase B (CAL B) as it shows potential for cool water washing detergents. By eliminating the need for heating, energy can be saved which is imperative in the world today. A major challenge in SMRFM is the chemistry used to bind the molecules to the tip. Therefore the first step towards studying CAL B was to use the binding pair of avidin and biotin to recreate previous experiments and confirm that the selected chemistry was appropriate. These experiments reproduced similar forces for avidin and biotin as published results. The system was then applied to measure the rupture force between CAL B and the carboxylic ester ±-2-acetoxypropionic acid at room temperature. It was found that unbinding events could be successfully observed and that leaving the AFM tip to dwell on the substrate for 100 ms produced significantly more specific events. Next a cooling device that could reduce the temperature of the AFM environment was created. The temperature was varied between 29.3oC and 7.4oC. It was found that the binding probability of CAL B increases notably at the lowest temperatures to 0.1096 ± 0.002 which further strengthens the potential for CAL B as a component for cool water detergents.
Caractérisation électrique d’hétérostructures AlGaN/GaN pour des applications de puissance

Cette these s'inscrit dans le cadre du developpement de transistors de puissance HEMT a base de nitrure de gallium au CEA. Les HEMT AlGaN/GaN sont des composants tres prometteurs pour les applications d'electronique de puissance. Le but de cette these est d'etudier en detail le materiau AlGaN/GaN en amont de la fabrication de transistors. Cette these est organisee en quatre chapitres. Le premier chapitre introduit les concepts theoriques necessaires a la comprehension du fonctionnement des HEMT AlGaN/GaN. Les trois chapitres restant sont consacres a l'etude des proprietes electriques de l'empilement AlGaN/GaN: resistance de couche, resistance des contacts, mobilite et densite de porteurs. Dans le chapitre deux, a travers des mesures de la resistance de couche, il est demontre que des phenomenes de piegeage interviennent dans le materiau et que l'utilisation d'une source lumineuse permet une stabilisation de la mesure. Ensuite, a travers des structures avec des longueurs de contacts differentes, une etude detaillee des resistances de contact a ete effectuee. Pour cela, le modele TLM a ete utilise. Les resultats obtenus montre que du a la variation non lineaire des caracteristiques de nos contacts en fonction de leur longueur, un tel modele n'est pas adapte a l'etude des contacts fabriques au CEA. Dans le chapitre trois, une methode de mesure de la resistance de couche d'un empilement AlGaN/GaN sans fabrication de contacts a ete mise au point. Cette methode repose sur les travaux de Van Der Pauw concernant la mesure colineaire et permet la caracterisation precise et rapide de plaques entieres en sortie d'epitaxie. Enfin dans le dernier chapitre, une etude comparative des proprietes electriques de l'empilement AlGaN/GaN sous la grille et en dehors de la grille a ete effectuee. Premierement, on a procede a une etude statistique de la resistance de couche, de la mobilite et de la densite de porteurs. Il est demontre que la gravure du Si3N4 prealable au depot de la grille injecte des ions fluor dans l'empilement, causant des degradations des proprietes electriques. Ensuite, les phenomenes de diffusion de la mobilite ont ete caracterises a travers une etude detaillee de la mobilite en fonction de la densite de porteurs. Enfin, pour completer cette etude, une analyse en temperature des mesures de capacite et de la mobilite a ete effectuee.
Interface assembly synthesis of inorganic composite hollow spheres

A facile method with interface assembly was developed to prepare TiO2/CdS composite hollow microspheres. By changing reactant concentration, stirring rate, and temperature, the hollow microspheres could be controlled in diameter, shell thickness, and composition. The morphology, structure, composition, and photoluminescence (PL) property of the hollow spheres were investigated with SEM, TEM, X-ray diffraction, and spectroscopic techniques. In photoluminescence (PL) spectra, a strong PL band appeared in the bluish violet wavelength range.
Influence of skin tissue properties on the radial reference point for glucose measurement

A reference position where the diffuse reflectance light intensity is insensitive to the variation of glucose concentration exists in the radial detection space for glucose measurement in the scattering medium such as skin. The signal measured in this position could be used as an inside reference to evaluate the influence on spectrum caused by other interferential factors. The relationship between the position of radial reference point and the skin tissue property is studied in this paper. Three-layer skin models with different optical parameters are designed to get sample sets at 1200~1700nm. In these sets, μa, μs and g of dermis varies respectively, so does the depth of epidermis or dermis. The distribution rule of dispersion of diffuse reflectance light intensity in the radial space is confirmed with the glucose concentration changes. And the distribution property of the radial reference position in every sample set is obtained through Monte Carlo simulation. The result shows that the distance of radial reference position from light source is insensitive to the variation of absorption coefficient or the depth of dermis, but an increased scattering coefficient will shorten the distance; an increased anisotropy coefficient or depth of epidermis will lengthen it. On the basis of that, the optical probes with different structures are designed according to the skin tissue properties. So they could be used for the measurement of corresponding patients, which enhances the practicability of floating reference method greatly.
When Stable and Metastable HS States Meet in Spin‐Crossover Compounds

With the ultimate goal of rationally inducing overlap between the stable high spin state (HSSS) and the metastable high spin state (HSMS) generated by a rapid frozen effect, a series of [FexMn1-x(bpp)2](BF4)2 [bpp = 2,6-bis(pyrazol-3-yl)pyridine] complexes was prepared. For all the materials, the thermal spin crossover (SCO) properties were measured and the stability of the metastable HSMS state was probed through the determination of the T(TIESST) value associated with the Thermally-Induced Excited Spin-State Trapping effect. The overlap between the two systems was observed for x ≤ 0.90 and the consequences on the shape and the completeness of the SCO behavior were discussed.
Sorption of organic solvents into dense silicone membranes. Part 2.—Development of a new approach based on a clustering hypothesis for associated solvents

The difficulties encountered in fitting sorption isotherms of associated liquids (alcohols, ketones) in polydimethylsiloxane (PDMS) by Flory–Huggins and related theories have been reported in a previous work; cluster formation, expected to explain these deviations, has been examined according to various approaches already reported to take into account such a phenomenon (polycondensation in an inert matrix, dimer formation). Given the poor results obtained by these approaches, a new equation, based on elementary affinity constants between polymer and sorbed solvent species in a lattice graph has been tested. Results obtained by fitting the resulting two-parameter equation to alcohol–PDMS results show the ability of the proposed equation to fit precisely the isotherms. Furthermore, pictures of the polymer–solvent lattice can be easily obtained by this approach, by computer simulation. Generalizations of the novel approach to other polymer solvent systems as well as to multicomponent systems are discussed. Diffusion studies on the basis of this heterogeneous matrix picture could possibly be undertaken later.
Comparative Studies on Dehydrogenative Polymerization of Coniferyl Alcohol by Laccases and Peroxidases. Part 1. Preliminary Results

Laccase from Rhus vernicifera Stokes oxidized coniferyl alcohol (1) very slowly in acetone-Water (1 : 1, v/v) in the presence of molecular oxygen. At the reaction time of 144hrs, about 20 mol% of pinoresinol (2), 25 mol % of dehydrodiconiferyl alcohol (3), and 2 mol % of guaiacylglycerol-β-coniferyl ether (4) were produced, but no dehydrogenative polymer (DHP). Laccases from Coriolus versicolor and Pycnoporus coccineus oxidized the substrate faster than Rhus laccase. At the reaction time of 1.5 hrs, Coriolus laccase oxidized the substrate, producing all three dimers and a trace amount of DHP, and Pycnoporus laccase producing dimers 2 and 3 but no DHP. At the reaction time of 12 hrs, Coriolus laccase oxidized the substrate, producing all three dimers and a small amount of DHP, and Pycnoporus laccase producing only DHP but no dimers. Peroxidase type I and II from horseradish (Armoracia rusticana) oxidized the substrate even faster than the laccases in acetone-water (1 :4, v/v) in the presence of hydrogen peroxide, producing DHP predominately at the reaction time of 5 hrs. Tree-laccases may differ from fungal laccases in the oxidation rate and reaction mechanisms. This is probably due to differences in the nature and molecular mass of these glycoproteins, as well as the ligand binding mode of type 2 and type 3 copper sites. During the oxidation by the laccases and peroxidases, the substrate and polymeric products could also undergo biodegradation. The possible role of laccase in biosynthesis of lignin is discussed.
Potential hair growth of crude extract from Hibiscus rosa-sinensis Linn

The Hibiscus rosa-sinensis Linn. (HRS), the national flower of Malaysia, is famous for its use in various traditional medicine. However, its usage as an activating agent has not received much attention it deserved. Therefore, this study was directed towards the use of HRS for hair growth as a substitute for the present commercially available drug. In this work, petroleum ether was used to extract both leaves and flowers of HRS. Its potential for hair growth was evaluated in vivo. One percent crude extract of leaves and flowers of HRS in liquid paraffin was applied topically over the shaved rats of Dawley Sprague. The rats were monitored and assessed for growth of hair for 42 days. The results for the study were divided into two parts namely the hair length was determined in vivo and the histology study of the shaved area of rats. From this study, it was concluded that the leaf extract exhibited more potential for hair growth compared to the flower component. This finding is promising and serves as a potential substitute for the usage of HRS extract in hair growth treatment. In addition, being a natural product further adds its benefit as compared to synthetic chemicals which may cause harmful side effects to the consumers.
GASEOUS PROTEIN CATIONS ARE AMPHOTERIC

Singly- and multiply-protonated ubiquitin molecules are found to react with iodide anions, and certain other anions, by attachment of the anion, in competition with proton transfer to the anion. The resulting adduct ions are relatively weakly bound and dissociate upon collisional activation by loss of the neutral acid derived from the anion. Adduct ions that behave similarly can also be formed via ion/molecule reactions involving the neutral acid. The ion/molecule reaction phenomenology, however, stands in contrast with that expected based on the reaction site(s) being charged. Reaction rates increase inversely with charge state and the total number of neutral molecules that add to the protein cations increases inversely with cation charge. These observations are inconsistent with the formation of proton-bound clusters but are fully consistent with the formation of ion pairs or dipole/dipole bonding involving the neutral acid and neutral basic sites in the protein. The ion/ion reactions can be interpreted.
MACROCYCLES. 12. RING-OPENING POLYCONDENSATIONS OF TIN-CONTAINING MACROCYCLES WITH BIS(THIOARYLESTER)S

2,2-Dibutyl-2-stanna-1,3-dioxepane (DSDOP) was polycondensed with bis(4-chlorothiophenyl) suberat under various reaction conditions, but only moderate molecular weights (Mn ≈ 10000) were obtained. The MALDI-TOF mass spectrosmetry revealed the formation of cyclic oligo- and polyesters in addition to linear species having OH, CO2H, and unreacted 4-chlorothiophenyl ester endgroups. Furthermore, ϵ-Caprolactone (ϵ-CL) was polymerized with DSDOP as the initiator at monomer/initiator (M/I) ratios of 20 and 50. The resulting tin-containing macrocyclic polylactones were reacted with sebacic acid bis(4-thiocresyl)ester at three different temperatures and with different reaction times. Analogous polycondensations were conducted with suberic acid bis(4-chlorothiophenyl) ester. The presence of thioarylester endgroups in the isolated polyesters was checked by 1H NMR spectroscopy. The highest conversions were found at long reaction times (24 or 72 hours), or after the addition of pyridine and N,N-dimethylaminopyridine as catalysts. Despite high conversions, the number average molecular weights (Mn's) did not exceed values around 20000. Even in the samples having the highest molecular weights, unreacted 4-chlorothiophenylester endgroups were detected by GPC measurements evaluated with a UV-detector. It is concluded that both factors, cyclization and incomplete conversion, contribute to the limitation of the chain growth.
Focusing Particles with Diameters of 1 to 10 Microns into Beams at Atmospheric Pressure

We report on an ambient-pressure aerodynamic lens for particles in the 1–10 μ m diameter range, operating at a flow rate of about 1 lpm, that greatly increases the particle number density downstream of the lens. Intended for use with optical monitors, the lens's low pressure drop (10–30 Torr) minimizes pumping requirements and thus power consumption. Numerical modeling indicates that the orifice particle Stokes number and the ratio of orifice diameter to tube diameter are the critical determinants of lens performance. The gas Reynolds number (on the order of 1000, two orders of magnitude greater than typical lens systems used in aerosol mass spectrometers) has only a weak effect on both beam diameter and particle transmission efficiency. Model results, validated by light scattering experiments, indicate that a lens with a final tube with inner diameter 1.65 mm and a single orifice of 0.75 mm diameter can produce beam diameters of far less than 0.10 mm. The effective working distance of the system, ∼ 1 cm downstream of the orifice, is limited by transition to turbulence in the jet downstream of the orifice. This also limits the lens design to a single orifice. Calculated and measured transmission efficiencies range from unity for particles smaller than 3 μ m to ∼ 40% for 10 μ m particles. Simultaneous achievement of both a narrow beam and excellent transmission efficiency is limited to about a three-fold range in particle size, so no single lens of this design can simultaneously encompass the entire 1–10 μ m particle size design range.
Mechanisms of EPR Hyperfine Coupling in Transition Metal Complexes

A detailed quantum chemical analysis of the underlying principles of hyperfine coupling in 3d transition metal complexes has been carried out. The explicit evaluation of one- and two-electron integrals for some atomic systems has been used to understand the spin polarization of the core shells. While spin polarization enhances the exchange interaction of the 2s and 2p shells with the singly occupied orbitals, the opposite spin polarization of the 3s and 3p shells arises from the required orthogonality to the 2s and 2p shells, respectively. Core-shell spin polarization in molecules is found to be proportional to the spin population in the valence 3d orbitals but to depend little on other details of bonding. In contrast, the spin polarization of the valence shell depends crucially on the overlap between the singly occupied and certain doubly occupied valence orbitals. Large overlap leads to pronounced spin polarization of these orbitals and, among other things, likely to spin contamination when using UHF wa.
Mean field curvature corrections to the surface tension

Expressions for the surface tension σ, Tolman length δ, and for the rigidity constants k and k of a curved liquid-vapor interface in mean field approximation are presented. The local free energy comes from the Carnahan-Starling equation of state in mean field, and the usual square gradient term is replaced with a more general, integral nonlocal term. The surface tension and the Tolman length are calculated numerically, and the behavior as the critical temperature is approached is discussed; this behavior is compared with results from a molecular dynamics simulation. Two appendices are included; the first presents derivations of alternative expressions for σ and δ, and the second gives an analytical calculation of the value of δ at the critical point. The Tolman length is found to be negative and approximately 0.2 molecular diameters in magnitude for all temperatures investigated. It is also found to approach a constant value of −0.20263 molecular diameters at the critical point, in agreement with previou.
Defects and Cation Diffusion in Magnetite (I)

Using radioactive tracer Fe-59 and measuring rest activities after sectioning, the tracer diffusivities of Fe in almost single crystalline magnetite Fe3-ΔO4 have been measured as a function of temperature and oxygen partial pressure. The measured curves log DFe*/log pO2 all exhibit a minimum in the temperature range between 900°C and 1400°C in the homogeneity range of the magnetite. At sufficiently high oxygen partial pressures the slope ϱ log DFe*/log pO2 is 2/3: at sufficiently low partial pressures it is —2/3. This allows to conclude that stoichiometric Fe3O4 has a Frenkel disorder in the cationic sublattice, while at high oxygen potentials iron ion vacancies are responsible for the cation deficit. Their electrical charge is balanced by threevalent iron ions. Mit Hilfe radioaktiver Tracer Fe-59 und einer Restaktivitatsmesmethode wurden die Tracerdiffusionskoeffizienten in nahezu einkristallinem Magnetit Fe3-ΔO4 als Funktion von Temperatur und Sauerstoffpartialdruck ermittelt. Die Kurven log DFe*/log pO2 enthalten zwischen 900 °C und 1400°C im Existenzbereich des Magnetits alle ein Minimum. Bei hohen Sauerstoffpartialdrucken betragt die Steigung ϱ log DFe*/log pO2 2/3, bei niedrigen Sauerstoffpartialdrucken — 2/3. Hieraus ist zu schliesen, das stochiometrischer Magnetit eine Frenkelfehlordnung der Eisenionen als thermische Fehlordnung besitzt. wahrend bei hohen Sauerstoffpotentialen Eisenionenleerstellen fur das Kationendefizit verantwortlich sind. Ihre Ladung wird durch dreiwertige Eisenionen kompensiert.
Argumentation is key: a keyword-based study of arguments in online discourse

Argument mining – the automatic identification and classification of arguments – has attracted growing interest in natural language processing and computational discourse analysis (Cabrio, Tonelli, & Villata, 2013; Janier & Saint-Dizier, 2018). However, authentic texts are challenging due to non-traditional forms of argumentation and implicitness: while they are often persuasive, they usually do not follow the structure of premise and conclusion from traditional formal logics. We propose a corpus linguistic approach to the comparative cross-genre study of argumentation.
Effects of tetrahedral isomorphic substitution on the IR spectra of synthetic fluorine micas

Abstract Effects of tetrahedral isomorphic substitution on the IR spectra of fluorine micas were demonstrated by comparing the spectrum of taeniolite KMg2Li(Si4O10)F2 with those of the substituted analogues, in which Ga, Al, B or Ge substituted for Si in tetrahedral sites. The e1 1 bands move towards lower frequencies as the content of substituted cation in tetrahedral site increases, whereas The a1 1 and a1 2 bands moves towards higher frequencies. Linear relationships were found between a1 2 the band frequency and the extent of tetrahedral substitutions. The magnitude of shifts per molar substitution for the a1 2 bands is dependent on the species of substituted cation and decreases in the order Ga > Al > Ge > B, showing an intimate correlation with the field strength z1·z2/r2 M–O of the substituted cations. This implies that the polarizing power of the substituted cations has a pronounced effect on the Si-O stretching vibrations.