Miracle-dz/UniFAR-FTUs huggingface dataset:
Refinement of the Thermodynamic Properties of Ruthenium Dioxide and Osmium Dioxide

The standard Gibbs energies of formation of RuO2 and OsO2 at high temperature have been determined with high precision, using a novel apparatus that incorporates a buffer electrode between the reference and working electrodes, The buffer electrode absorbs the electrochemical flux of oxygen through the solid electrolyte from the electrode with higher oxygen chemical potential to the electrode with lower oxygen potential, The buffer electrode prevents polarization of the measuring electrode and ensures accurate data, The standard Gibbs energies of formation (Delta(f)G degrees) of RuO2, in the temperature range of 900-1500 K, and OsO2, in the range of 900-1200 K, can be represented by the equations Delta(f)G degrees(RuO2)(J/mol) = -324 720 + 354.21T - 23.490T In T Delta(f)G degrees(OsO2)(J/mol) = -304 740 + 318.80T - 18.444T In T where the temperature T is given in Kelvin and the deviation of the measurement is +/- 80 J/mol, The high-temperature heat ;capacities of RuO2 and OsO2 are measured using differential scanning calorimetry. The information for both the low- and high-temperature heat rapacity of RuO2 is coupled with the Delta(f)G degrees data obtained in this study to evaluate the standard enthalpy of formation of RuO2 at 298.15 K (Delta(f)H degrees(298.15K)). The low-temperature heat capacity of OsO2 has not been measured: therefore, the standard enthalpy and entropy of formation of OsO2 at 298.15 K (Delta(f)H degrees(298.15K) and S degrees(298.15K), respectively) are derived simultaneously through an optimization procedure from the high-temperature heat capacity and the Gibbs energy of formation. Both Delta fH degrees(298.15K) and S degrees(298.15K) are treated as variables in the optimization routine, For RuO2, the standard enthalpy of formation at 298.15 K is Delta fH degrees(298.15K) (RuO2) -313.52 +/- 0.08 kJ/mol, and that for OsO2 is Delta(f)H degrees(298.15K) (OSO2) = -295.96 +/- 0.08 kJ/mol. The standard entropy of OsO2 at 298.15 K that has been obtained from the optimization is given as S degrees(298.15K) (OsO2) = 49.8 +/- 0.2 J (mol K)(-1).
Membrane Fouling in Membrane Bioreactors for Wastewater Treatment

Membrane bioreactors (MBRs), in which membranes are applied to biological wastewater treatment for biomass separation, provide many advantages over conventional treatment. However, membrane fouling in MBRs restricts their widespread application because it reduces productivity and increases maintenance and operating costs. Recently much research and development has taken place to investigate, model, and control membrane fouling processes. However, unified and well-structured theories on membrane fouling are not currently available because of the complexity of the biomass matrix, which is highly heterogeneous and includes living microorganisms. Membrane fouling in MBR systems can be reversible (i.e., removable by physical washing) or irreversible (removable by chemical cleaning only), and can take place on the membrane surface or into the membrane pores. Although establishing a general model to describe membrane fouling in such a process is made extremely difficult by the inherent heterogeneity of the syste.
The spectrum of DO2 near 60 GHz and the structure of the hydroperoxyl radical

Spectra for the lowest rotational transition in DO2, N=1←0, have been observed near 60 GHz. These data have been used to calculate the sum of the rotational constants B+C for DO2=60 467.7±3 MHz. This result was combined with other measurements on HO2 to compute a structure for the hydroperoxyl radical: r (H–O) =0.977×10−10 m, r (O–O) =1.335×10−10 m, and <H–O–O=104.1°. Also we have found for DO2 that (ebb+ecc)/2=−191±3 MHz for elements of the electron–spin rotation tensor and a value of −4.2±1.5 MHz for the Fermi contact interaction parameter σ.
Phosphorus in soils and its transfer to water: from fine‐scale soil processes to models and solutions in landscapes and catchments

P. M. HAYGARTH, A. DELGADO, W. J. CHARDON, M. I. LITAOR, F. GIL-SOTRES & J. TORRENT Lancaster Environment Centre, Lancaster University, Lancaster, UK, Department of Agroforestry Sciences, University of Seville, Seville, Spain, Alterra, Wageningen UR, Wageningen, The Netherlands, MIGAL Laboratory and Tel Hai College, Upper Galilee, Israel, Soil Science Department, Campus Vida, Santiago de Compostela University, Santiago de Compostela, Spain, and Departamento de Agronom ıa, Universidad de C ordoba, Edificio C4, Campus de Rabanales, C ordoba, Spain
Biodegradable Polyesters for Tissue Engineering

Paper describes basic characteristics of synthesis and properties of aliphatic polyesters used for tissue engineering. Described is also synthesis of polyester containing block copolymers suitable for surface modification. Described are methods used for scaffold fabrication with required porosity. In particular, presented are methods according to which scaffolds are made from prefabricated polyester micro- and nanoparticles.
Adaptation of Ukrainian legislation on drug trafficking control to the European Union legislation (separate aspects)

Certain aspects of the adaptation of regulatory legal acts of Ukraine in the field of drug trafficking control to EU legislation were studied. The basis of this study uses an interdisciplinary approach using comparative legal, dialectical and systemic methods. Emphasis is placed on the fact that the world community does not have a unanimous opinion on legal issues and areas of the modern drug control regime that would meet the needs of the social and legal society and the current state of the drug situation in the countries of the world, and health problems. It was established that the adaptation of the regulatory legal acts of Ukraine in the field of drug trafficking control, the fight against their use and treatment of drug addiction of patients should be based on the implementation of public health programs. n its areas, should include the prevention of disease, prolonging life and improving the health and well-being of the entire population, including drug-addicted patients, for whom the state has an inherent responsibility. Ukraine participates in Council of Europe conventions which establish common standards for this organization and the European Union, it is important for the legal regulation of drug control in the health field, but some norms of national legislation require consistency with the norms of UN Conventions, and it is important to use positive legislative experience of selected countries of the European Union. It is proposed to amend the regulatory legal acts that will improve legal ways to protect people's rights to health protection.
Reducing Fat Content of Brazilian Traditional Preparations Does Not Alter Food Acceptance: Development of a Model for Fat Reduction That Conciliates Health and Culture

Typical treatment for obesity and/or other chronic degenerative diseases should always include a dietetic approach. Diet success depends on several individual aspects, such as patient's personal motivation and attitudes; unfortunately, dietary planning does not always take into account the patient's cultural habits, which minimizes the impact of the nutritional intervention. The objective of the present study was to analyze and reduce the fat content of 10 representative recipes from Brazilian regional gastronomy, maintaining their acceptability and developing a standard protocol that could be used for improving nutritional content of any type of fat-rich traditional preparation. The recipes selected were tapioca flan (pudim de tapioca) and banana pie (torta de banana) from the northern region; hominy porridge (mungunzá) and corn cake (bolo de milho verde) from the northeast region; goianian pie (empadão goiano) and cassava cake (mané pelado) from the central west region; tropeiro beans (feijão tropeiro) and spiced chicken with rice (galinhada) from the southeast region; and carreteiro rice (arroz carreteiro) and ground corn with pork ribs (quirera lapiana) from the southern region. The preparations were submitted to a chemical composition analysis for humidity, protein, ashes, and total lipid content according to official methods of the Association of Analytical Chemists (AOAC, 1998) in duplicate. After the average nutrient content was determined, sensorial analysis was performed in order to investigate the acceptance rate of each preparation. The results were analyzed according to the hedonic scale of 7 points considering good acceptance those rates higher than 70%. Additionally, for statistical analysis the test F was applied, determining whether the samples were accepted significantly different to a level of 95% confidence. Some recipes had main ingredients with characteristically high lipid content, thus, in order to keep the regional characteristics of the preparation, those ingredients were not changed. Also, according to sensorial analysis, although there were some differences between the standard and modified samples, the recipes obtained similar acceptance rates (p > 0.05), except for carreteiro rice and banana pie recipes. In the case of the carreteiro rice, the acceptance of the modified recipe was greater than the standard and for the banana pie the inverse occurred, although the final acceptance of the modified recipe was greater than 70%. The results show that it is possible to conciliate healthy food and alimentary culture, once the adequate preparation technique is used, in particular those concerning the nutritional composition of the main ingredients (respecting the recipe characterization) and healthier methods of cooking. Moreover, those techniques can be applied for any regional/typical recipes in order to facilitate the patient's adherence to the prescribed diet plans or even for major actions concerning public health matters.
Photoisomerization of Norbornadiene to Quadricyclane Using Transition Metal Doped TiO2

Metal(V, Fe, Ce, Cu, Cr)-doped TiO2 were synthesized for the photoisomerization of norbornadiene. Characterizations indicate that V and Fe are located in the substitutional sites of TiO2, Ce ions dispersed in the interstitial sites, while Cr and Cu aggregated on the surface. The order of activity is Fe−TiO2 > V−TiO2 > Cr−TiO2 > Ce−TiO2 > TiO2 > Cu−TiO2, suggesting the local structure and type of dopant are crucial. Materials with various V and Fe content were further studied. Fe ions are well dispersed in TiO2 lattice even at high metal content, whereas many separated V2O5 phases are formed. The activity of V−TiO2 changes with V content and the optimal Ti/V ratio is 15, but the activity of Fe−TiO2 is independent of the metal content. Attributed to the high dispersion, Fe−TiO2 is much more active than V−TiO2. The photoreactivity is correlated with the surface lattice oxygen, and a mechanism is proposed to explain the photoisomerization and role of Fe dopant.
Water in Natural Mantle Minerals II: Olivine, Garnet and Accessory Minerals

Hydrogen traces change the physical properties of mantle minerals to an extent that is far out of proportion to its low concentration. These properties include mechanical strength, melting behavior, diffusion rate, electrical conductivity, viscosity and rheology. Besides minerals of the pyroxene group (as discussed by Skogby 2006, this volume), the close-packed mineral structures of olivine, garnet and some accessory minerals offer important storage sites for hydrogen traces in the Earth’s mantle. However, the water content stored in olivine and mantle garnet is quite low compared to that in pyroxenes. Based on chemical considerations, but also on information obtained from infrared (IR) data, Martin and Donnay (1972) proposed the existence of hydroxyl in nominally anhydrous minerals (NAMS) occurring in the upper mantle, especially in pyroxene and olivine. The review articles of Bell and Rossman (1992a), Skogby (1999), and Ingrin and Skogby (2000) reveal a wide range of water contents for mantle-derived pyroxenes, olivines and garnets, which are derived from IR spectroscopic data. Fourier transform infrared (FTIR) spectroscopy provides an extremely sensitive method for detecting trace hydrogen bonded to oxygen in the structures of various NAMS (Beran 1999; Beran and Libowitzky 2003; Libowitzky and Beran 2004). As this method is not self-calibrating, attempts have been made to calibrate the IR spectra with independent absolute methods. These methods include hydrogen manometry and measurement of thermally released water in an electrolytic cell or by Karl Fischer titration. 1H Magic-Angle-Spinning Nuclear Magnetic Resonance (MAS NMR), Secondary Ion Mass Spectrometry (SIMS) and Nuclear Reaction Analysis (NRA) are encouraging but experimentally demanding and expensive methods (as discussed by Rossman 2006, this volume). To overcome these problems, approximations such as that proposed by Paterson (1982) and refined by Libowitzky and Rossman (1997), attempt to provide a way to deal with …
Modeling perceived externalization of a static, lateral sound image

Perceived externalization is a relevant feature to create an immersive acoustic environment with headphone reproduction. In the present study, listener-specific acoustic transfer characteristics for an azimuth angle of 90° were modified to investigate the role of monaural spectral cues, interaural level differences (ILDs), and temporal fluctuations of ILDs on perceived externalization in anechoic and reverberant environments. Listeners’ ratings suggested that each acoustic cue was important for perceived externalization. If only one correct acoustic cue remained in the ear signals, the sound image could not be perceived as fully externalized. Reverberation did reduce but not eliminate the influences of monaural spectral and ILD cues on perceived externalization. Additionally, the spectral details of the ipsilateral ear signal were more important for perceived externalization than those in the contralateral ear signal. A computational model was proposed to quantify those relationships and predict externalization ratings by comparing the acoustic cues extracted from the target (modified) and template (non-processed) binaural signals after several auditory processing steps. The accuracy of predicted externalization ratings was higher than 90% under all experimental conditions.
Über die Synthese von Quercetin‐3‐glykosiden, II. Synthese des Ombuosids und eine rationelle Synthese von Rutin

Nach einer verbesserten Methode wurde durch Umsetzung von 7.4′-Dibenzyl-quercetin mit Acetobromrutinose Quercetin-3-β-rutinosid (Rutin) in 54 proz. Ausbeute synthetisiert. Analog wurde aus 7.4′-Dimethyl-quercetin (Ombuin) das aus Phytolacca dioica isolierte Ombuin-3-β-rutinosid (Ombuosid) dargestellt und damit seine Struktur endgultig bewiesen.
Evaluation of toxicity and biodegradability for cholinium-based deep eutectic solvents

This study presented the toxicological and biodegradable assessment of different cholinium-based deep eutectic solvents (DESs). They were formed from choline chloride (ChCl) and N,N-diethyl ethanol ammonium chloride (EAC) as salts and four hydrogen bond donors, namely ethylene glycol (EG), glycerol (Gly), urea (U), malonic acid (MA), in addition to a metal salt, i.e. zinc chloride (ZnCl2), and a hydrated metal salt, i.e. zinc nitrate hexahydrate (ZnN). The toxicity towards Aspergillus niger of pure and aqueous DESs was evaluated by observing the inhibition zone using an agar well diffusion assay, and the minimum inhibition concentration (MIC) using a broth dilution assay, respectively. The MIC values of the DESs varied from 1 to 650 mg mL−1, whereas the inhibition zones changed according to the DES dose amount. Another test for acute toxicity was performed by evaluating the lethal concentration at 50% (LC50) of the same DESs on Cyprinus carpio fish. The LC50 of DESs ranged from practically harmless (e.g. ChCl : EG-DESaq) to highly toxic (e.g. EAC : ZnCl2-DESaq). The toxicity profile of the DESs depended on their concentration, type of individual components, and interaction with living organisms. Moreover, the DESs recorded higher toxicity compared to their individual components on fungi. However, lower toxicity was found for the DESs tested on Cyprinus carpio. Types I (organic salts and metal salt) and II (organic salt and hydrate metal salt) eutectics exhibited significantly higher toxicity than type III (organic salts and HBD). This was due to the presence of the innate toxicity of the metal salts. The biodegradability was appraised by a closed bottle test in which all the DESs were found to be readily biodegradable. To the best of our knowledge, there are no previous studies reported regarding the toxicity of cholinium-based DESs on freshwater fish or fungi and the biodegradability of EAC-based DESs. Therefore, this investigation can be used as a benchmark for future development of DESs.
Passivation of crystalline silicon using silicon nitride

The extraordinary capacity of plasma-enhanced chemical-vapour-deposited (PECVD) silicon nitride (SiN) to passivate the surface of crystalline silicon wafers and, in the case of multicrystalline silicon, improve the bulk material by hydrogenation has attracted a great deal of research and development. This review summarizes the state of the art of surface passivation by PECVD SiN, together with the present understanding of the physical mechanisms that underlie it. The impact of SiN on ultimate solar cell performance is discussed and an optimization of SiN passivated n/sup +/ emitters is presented. Finally, the experimental evidence of SiN-induced hydrogenation of mc-Si is discussed and areas for further work are suggested.
An electrochemical sensor for paracetamol based on an electropolymerized molecularly imprinted o-phenylenediamine film on a multi-walled carbon nanotube modified glassy carbon electrode

An electrochemical sensor combining a molecularly imprinted technique and an electropolymerization method is developed in this work. A molecularly imprinted polymer film was fabricated by electropolymerizing o-phenylenediamine in the presence of paracetamol after depositing carboxyl functionalized multi-walled carbon nanotubes onto a glassy carbon electrode surface. The template can be quickly removed in 50% ethanol. The molecularly imprinted sensor was tested in the presence or absence of paracetamol by cyclic voltammetry and linear sweep voltammetry to characterize the constructed sensor. The molecularly imprinted polymer based sensor displayed an excellent recognition capacity toward paracetamol compared with other structurally similar molecules. Additionally, the linear sweep voltammetry peak current was linear to the concentration of the analyte in the range of 2.0 × 10−7 to 4.0 × 10−5 mol L−1, with a detection limit of 5.0 × 10−8 mol L−1. The prepared sensor also showed stable repeatability and regeneration capacity. The sensor was applied to the determination of paracetamol in real samples successfully, with the recoveries ranging from 94% to 105%.
Isolation, structure, chemistry, and photochemistry of cis-bis(2,2′-bipyridyl)carbonylchlororuthenium(II) perchlorate

The molecular structure and chemical and photochemical reactions of [Ru(bpy)2(CO)Cl]+ClO4–, which has been isolated from the reaction of ruthenium trichloride and 2,2′-bipyridyl(bpy) in dimethylformamide, are described.
Modern approaches to the preparation of "palladium on charcoal" catalysts

The methods of preparation of deposited palladium catalysts on carbon carriers are discussed. The characteristics of the structures of porous carbon materials, the methods for the regulation of their structural and physicochemical characteristics, the methods for the deposition of palladium on a carbon carrier, and individual stages of a catalyst preparation process are examined. The bibliography includes 74 references.
Raman and infrared spectroscopic study of the molybdate‐containing uranyl mineral calcurmolite

Raman and infrared spectra of calcurmolite were recorded and interpreted from the uranium and molybdenum polyhedra, water molecules and hydroxyls point of view. U-O bond lengths in uranyl and Mo-O bond lengths in MoO6 octahedra were calculated and O-H…O bond lengths were inferred from the spectra. The mineral calcurmolite is characterised by bands assigned to the vibrations of the UO2 units. These units provide intense Raman bands at 930, 900 and 868 and 823 cm-1. These bands are attributed to the antisymmetric and symmetric stretching modes of the UO2 units respectively. Raman bands at 794, 700, 644, 378 and 354 cm-1 are attributed to vibrations of the MoO4 units. The bands at 693 and 668 cm-1 are attributed to antisymmetric and symmetric Ag modes of terminal MO2 units. Similar bands are observed at 797 and 773 cm-1 for koechlinite and 798 and 775 cm-1 for lindgrenite. It is probable that some of the bands in the low wavenumber region are attributable to the bending modes of MO2 units.
Band offsets, Schottky barrier heights, and their effects on electronic devices

The authors review the band line-ups and band offsets between semiconductors, dielectrics, and metals, including the theory, experimental data, and the chemical trends. Band offsets have been critical in the choice of high dielectric constant oxides to be used in advanced metal oxide semiconductor field effect transistors. It turns out that band offsets are also critical in the theory of doping limits, design of transparent conducting oxides, organic semiconductors, and electrodes to use in light emitting devices, photovoltaic cells, and photochemical cells. It is shown how band line-ups can be understood in terms of charge neutrality levels. These are also related to states due to interstitial hydrogen.
Plant Extraction with Aqueous Two‐Phase Systems

The extraction of phytochemicals from plants and their downstream processing is often associated with solvents, which are problematical with respect to health, safety, and environment. An alternative approach is the extraction with aqueous two-phase systems, which offers a benign environment for complex molecular structures. Particularly nonionic surfactants like, e.g., Genapol® X-080 and Tween® 65 in high concentrations in water can be used to form aqueous two-phase systems. Sage (Salvia triloba) is used as a model plant, since it contains a relatively high concentration of the two triterpenes oleanolic acid (OA) and ursolic acid (UA), which are interesting due to their wide range of biological effects. Kinetic experiments have shown that an extractive isolation of triterpene acids using such mesophase systems is possible.
An ionic aqueous pseudocapacitor system: electroactive ions in both a salt electrode and redox electrolyte

We designed a new type of ionic pseudocapacitor system with excellent contributions from ionic-state redox mediators, including a redox couple [Fe(CN)6]3−/[Fe(CN)6]4− in the electrolyte and redox cations in highly electroactive colloid electrodes. The highest pseudocapacitance value of 12 658 mF cm−2 was obtained, which is a 7-fold increase in the specific capacitance of the CoCl2 electrode for K3Fe(CN)6 in a KOH alkaline electrolyte at a current density of 20 mA cm−2 and at a potential interval of 0.55 V. The currently designed supercapacitor systems show a versatile strategy to design high-performance supercapacitors with CoCl2, CuCl2, NiCl2, and FeCl3 electrodes.