Miracle-dz/UniFAR-FTUs huggingface dataset:
The Chemistry of sulphur-containing functional groups

General and Theoretical Structural Chemistry Conformational Analysis of Cyclic Sulphides Thermochemistry NMR and ESR Mass Spectra Carbon Acidity Free Radical Reactions Pyrolysis of Organosulphur Compounds Electrochemistry Free Radicals in Photochemical Processes Syntheses and Uses of Isotopic Sulphur Compunds Metal Ion Catalyzed Reactions The Thiol-Disulphide Interchange Cyclic Sulphides Vinyl Sulphides Sulphonates as Nucleophiles High-Co-ordinated Sulphur Species Sulphur-Containing Ylides Biochemistry Organosulphur Ion Radicals Oxidation of Disulphides.
Ammonium Removal and Electricity Generation by Using Microbial Desalination Cells.

Microbial fuel cell (MFC) has become one of the energy-sustainable technologies for wastewater treatment purpose in the recent years. It combines wastewater treatment and electricity generation together so as to achieve energy balance. By inoculating microorganism in the anode chamber and filling catholyte in the cathode chamber, and also with the help of a proton exchange membrane (PEM) between them, the MFC can transfer protons and produce power. Microbial desalination cells (MDC) are based on MFC’s structure and can fulfill desalination function by the addition of a middle chamber and anion exchange membrane (AEM). This study focuses on ammonium removal and electricity generation in MDC system. Mainly two types of liquid were tested, a solution of Hjorthorn Salt and filtrated supernatant. The experiments were performed at Hammarby Sjostad research station and laboratory of Land and Water Resources department, Stockholm. It consists of a preparation stage, a MFC stage and a MDC stage. Until the end of MFC stage, biofilm in the anode chamber had been formed and matured. After that, solutions of different initial concentrations (1.5, 2.5, 5, 15 g/L) of Hjorthorn Salt and also filtrated supernatant have been tested. Ammonium removal degree can be obtained by measuring the initial concentration and cycle end concentration, while electricity generation ability can be calculated by voltage data which was continuously recorded by a multimeter. Results showed that this MDC system is suitable for ammonium removal in both of Hjorthorn Salt solutions and supernatant. The removal degrees in Hjorthorn Salt solution at desalination chamber were 53.1%, 52.7%, 60.34%, and 27.25% corresponding to initial NH4+ concentration of 340.7, 376, 376 and 2220 mg/L. The ammonium removal degrees in the supernatant were up to 53.4% and 43.7% under 21 and 71 hours operation, respectively. In power production aspect, MDC produced maximum voltage when potassium permanganate was used in the cathode chamber (217 mV). The power density in solutions of Hjorthorn Salt was relative low (46.73 - 86.61 mW/m3), but in the supernatant it showed a good performance, up to 227.7 and 190.8 mW/m3.
Satisfacao de Gerentes Conduz à Maturidade em Gestao de Projetos? Um Estudo de Caso no Serpro

This article is an evaluation system of project management software in SERPRO - Servico Federalde Processamento de Dados, based on the perception of 271 professionals working in eleven statesin the country, playing leading roles in software projects. The system of project managementsoftware of the SERPRO was evaluated from two dimensions: (a) the technological tool itself, and(b) organizational maturity in project management. For the evaluation tool, we used a construct of11 variables and an equal number of indicators. In assessing to evaluate the maturity, it was using adifferent construct with 7 variables and 21 related indicators. The intensity with which the subjectsmanifested on these two dimensions were measured on a Likert scale, ranging from 1 to 7. Theresults showed that both the computer system and the organizational maturity in projectmanagement were slightly higher than the average assessment of the scale, demonstrating that thereis room for improvement in those two dimensions. The stratification of the sample into two groups,the subjects most satisfied with the system and the subjects less satisfied, revealed that the firstassess the organizational maturity significantly more positive than the last. This difference wasconfirmed by the U proof of Mann-Whitney, leading to infer the possibility of some correlationbetween the individual's satisfaction with the tool and the potential contribution it can make toincrease the organizational maturity of the institution.
Safety analysis method for assessing the impacts of advanced driver assistance systems within the european large scale field test Eurofot

Within the large scale field operational test (FOT) "euroFOT" an impact assessment of advanced driver assistance systems (ADAS) is conducted. Altogether, about 1000 vehicles equipped with eight different ADAS technologies will take part in the field operational test. The focus of the analysis is an impact assessment on safety, traffic efficiency and environment. This paper will present the elaborated methodologies for conducting the safety impact assessment by means of the collected data from the field test. The safety analysis represents the most challenging part of the impact assessment, because no standardized methodologies exist. The objective of the safety analysis is to determine the change in accident risk, while driving with the ADAS functionality. Altogether two approaches have been defined for the safety impact analysis and adapted to the specific conditions in euroFOT, the event based analysis (EBA) and the aggregation based analysis (ABA). The EBA approach is applied for functions, which intend to reduce the frequency of particular time discrete events (e.g. number of unintended lane crossings). Whereas the ABA is applied for functions that change certain driver performance measures over time (e.g. distance behaviour). The necessary safety indicators cannot be determined directly from the objective data, but need to be derived by means of surrogate measures. This paper discusses the challenges for performing a safety analysis and the methodology defined within the euroFOT project to perform this analysis.
Development of a Model for the Kinetics and Mechanism of Nitrogenase

DEVELOPMENT OF A MODEL FOR THE KINETICS AND MECHANISM OF NITROGENASE Phillip E. Wilson Department of Chemistry and Biochemistry Doctor of Philosophy Nitrogenase has a central role in the global nitrogen cycle as the enzyme that catalyzes the reduction of atmospheric N2 to NH3. Fixed nitrogen is generally limiting in the environment and in agriculture, so nitrogenase has received much attention as an alternative to nitrogen fertilizers. Characterizing the mechanism of nitrogenase is the goal of this work. The molybdenum nitrogenase enzyme system is comprised of the MoFe protein and the Fe protein. Interactions between these proteins and nucleotides are crucial to catalysis. An important approach to characterize these interactions is to correlate the kinetics of nitrogenase catalysis to a mechanism based on the properties of the nitrogenase components. Ironically, the most successful kinetic model of nitrogenase was devised by R. N. F. Thorneley and D. J. Lowe (T&L) before any crystal structures of nitrogenase were solved. This work critiques the ability of the T&L model to predict nitrogenase catalysis accurately. Several defects in the model are described, but it is qualitatively correct. A literature review and critique leads to the rational design of a new kinetic model of nitrogenase catalysis. Because of its comprehensive scope and superior detail, this model has the potential to describe nitrogenase catalysis quantitatively. However, the development of this model is an ambitious project only begun in this work, step by step. Some of the areas of study include: an analysis of Fe protein reduction by dithionite; the characterization of a form of Fe protein reduced to the all-ferrous [4Fe-4S] state with a novel spin S = 0 state by the in vivo reductant flavodoxin; and a novel account of salt effects that weaken the nitrogenase complex to increase the rate of complex dissociation, the rate-limiting step in nitrogenase catalysis.
Obstructive sleep apnea and depression

Many studies discovered that obstructive sleep apnea (OSA) often accompanies depression. The progress of Correlational studies are limited because of the application of different techniques to identify both depressive symptoms and sleep breathing disorders, possible confounders,common symptoms in OSA and depression and so on. It is very important for improving the quality of life of the patients with both OSA and depression to diagnose and treat as early as possible. Key words: Obstructive sleep apnea; Depression
Spectroscopie linéaire et ultra-rapide de nanoparticules métalliques : de l’ensemble au nano-objet individuel

En passant de l’etat massif a la nanoparticule les materiaux metalliques voient certaines de leurs caracteristiques modifiees de maniere notable comme par exemple les proprietes optiques avec l’apparition d’une resonance dans le spectre optique, la Resonance Plasmon de Surface Localisee (RPSL) responsable du changement de couleur des nanoparticules metalliques. Les proprietes vibrationnelles et thermiques de nanoparticules metalliques ont ete etudiees a l’aide d’une technique de Spectroscopie Femtoseconde. Nous avons montre qu’il etait possible d’exciter et de detecter optiquement des frequences de vibrations mecaniques dans le domaine terahertz pour des nanoparticules de platine composees de moins de cent atomes. D’autre part l’augmentation des effets dus aux interfaces a ete mis en evidence sur les proprietes thermiques de nanoparticules d’or et d’argent. La resistance thermique a l’interface, resistance de Kapitza, voit son role augmenter lors du transfert thermique a l’echelle nanometrique. Une correlation entre les valeurs mesurees et les impedances acoustiques des materiaux composants les interfaces a ete mise en evidence. Nous avons aussi montre qu’elle augmente quand la temperature diminue de 300K a 70K. Les proprietes optiques de nanoparticules non spheriques ont ete etudiees a l’aide de la Spectroscopie a Modulation Spatiale. Cette technique a permis de reperer puis de caracteriser des nano-bâtonnets d’or individuels. Nous avons montre que la largeur spectrale de la RPSL est fortement dependante de la geometrie des nanoparticules (diametre et longueur). Cette double dependance n’est pas predite par les modeles classiques ou quantique existants
Polarized spectroscopy of ordered systems : proceedings of the NATO Advanced Study Institute on New Developments in Polarized Spectroscopy of Ordered Systems, Rimini, Italy, October 11-23, 1987

Spectroscopic Applications of Molecular Alignment. - Applications of IR and UV-Visible Linear Dichroism. - Order Parameters and Orientational Distributions in Liquid Crystals. - Molecular Alignment - Origin, Methods of Measurement, and Theoretical Description. - Liquid Crystal - Linear Dichroism Stereochemical Applications of Electronic State Assignments. - Linear Dichroism and Induced Circular Dichroism for Studying Structure and Interactions of DNA. - Extending Linear Dichroism Measurements into the Vacuum Ultraviolet for Improved Information Content. - Polarisation Properties in Infrared and Raman for the Study of Molecular Dynamics of Chain Molecules. - New Techniques for Aligning Molecules: Migrative Orientation. - Reactivity Control in Liquid Crystalline Ordered Systems: Orientational Information by Linear Dichroism. - Polarization Modulation Spectroscopy. - Why Does Sinusoidally Modulated Polarization Introduce a Systematic Error in Linear Dichroism Measurements? Analytical and Instrumental Solutions. - Differential Polarization Imaging. - Differential Polarization Imaging: Theory and Applications. - Theory of Absorption and Circular Dichroism of Large Inhomogeneous Molecular Aggregates. - The Effect of Anisotropic Properties of Randomly Oriented Particles on Polarized Light: an Operational Calculus for Spatially Heterogeneous Distributions. - Optical Activity of Oriented Molecules. - Fluorescence Depolarization in Liquid Crystals. - Angle-Resolved Techniques in Studies of Organic Molecules in Ordered Systems Using Polarized Light. - Some Aspects of Excited-State Probe Emission Spectroscopy for Structure and Dynamics of Model and Biological Membranes.
A Handbook of Bioanalysis and Drug Metabolism

The Role of Drug Metabolism and Pharmacokinetics in Drug Discovery: Past, Present and Future The Importance of the Physiochemical Properties of Drugs to Drug Metabolism Sample Preparation High Performance Liquid Chromatography in Pharmaceutical Bioanalysis Quantitative Mass Spectronomy Immunoassay in Bioanalysis Phase I Metabolism Phase II Enzymes In vitro Techniques for Investigating Metabolism Drug-Drug Interactions: an in vitro Approach Clinical Impact of Drug-Drug Interactions Preclinical Pharmacokinetics Pharmacokinetic / Pharmacodynamic Modeling in Preclinical Drug Discovery Toxicokinetics Protein Binding in Plasma: A Case History of a Highly Protein Bound Drug Metabolite Identification by Spectroscopy Whole Body Autoradiography Radiolabeled Studies in Man Molecular Genetics
Research into the usefulness of ash from the co-combustion of lignite and biomass in mining technologies

Biomass is a kind of fuel that is more and more often used in the energy industry. It supplements coal and allows it to meet the requirements of producing “green” energy and limit CO2 or sulphur emissions. Research refers to the ash originated from the combustion of the lignite with and without the wood biomass in the CFB boiler. This article shows the results of research into physical-chemical properties of fly ash obtained from the combustion of the lignite with and without the wood biomass (wood pellet). The possibilities of the use of this ash include in suspension technologies widely used in coal mines.
EMISSIONS FROM TWO CNG FUELED BUSES

The MTC Laboratory has emission tested two CNG (Compressed Natural Gas) fueled Volvo buses. The buses were equipped with oxidation catalysts. The NOx emission was extremely low, 0,5 h/k Wh, at tests according to A30 Regulation (ECE R49), which is a steady state test. At the transient Braunschweig cycle tests the NOx emission was 2,5 g/km, which is low compared to 6 g/km for ethanol fueled vehicles. At the steady state tests the lambda value was higher (1,5 at idling and 1.7 at the loaded steps) than the lambda value given by the manufacturer (1,2-1,5). The CO emission was low, as was the emission of particulate matter. The total HC emission was measured and calculated as diesel emissions and as methane. The HC emission was low, but varying, at steady state tests. At Braunschweig cycle tests the HC emission varied from 1,8-6,7 g/km for one of the buses. The other one was more stable with 1 g/km HC emission. Most of the HC was methane. The catalyst was not as efficient converting methane as converting CO. The varying HC emissions indicate that the lambda limit for good drivability was close. One of the buses was tested regarding unregulated emissions (alkenes, aldehydes, polycyclic aromatic hydrocarbons (PAH) and biological tests, Ames' test and TCDD receptor binding test). The emission of alkenes and aldehydes was low. The PAH emission was low, that is at the same level as from new vehicles fueled with environmental class 1 diesel fuel. Ames' test showed a very low mutagenic activity. TCDD receptor binding test showed an activity at the same level as with diesel fuel of environmental class 1. The PAH emission was dominated by semivolatile phenanthrene and pyrene. The source of the pyrene and the phenanthrene emission is not clear. (A)
Mise en vitesse d'un projectile mince par impulsion laser en mode de plasma confiné ; étude de matériaux pour l'optimisation des performances de l'interaction

Cette etude concerne l'acceleration de feuilles minces par interaction laser/matiere en milieu confine. L'objectif est d'ameliorer le rendement hydrodynamique entre l'energie cinetique du projectile cree et l'energie photonique a l'origine de l'interaction. L'etude est realisee pour un projectile en aluminium d'une epaisseur de 7 m avec un laser nd : yag fonctionnant a 1,06 m de longueur d'onde sur une gamme de fluences comprises entre 10 et 50 j/cm#2. Pour generer un projectile calibre a 7 m et augmenter l'efficacite du dispositif, une configuration de cible tricouche confinee par une fenetre en silice est retenue. Des etudes preliminaires ayant fixe la deuxieme couche, dite ecran thermique, a 0,5 m d'alumine, l'ensemble de ce travail consiste a determiner la nature et l'epaisseur optimales du materiau de la premiere couche, generant le plasma. L'examen des mecanismes d'interaction et de leurs parametres physiques a permis, dans la premiere partie de cette etude, de selectionner une dizaine de materiaux. Les cibles correspondantes sont caracterisees par leur reflectivite, leur densite et leur epaisseur, et les vitesses de projectiles sont obtenues experimentalement par l'interferometrie doppler laser. Grace a leur tres faible reflectivite en phase solide, les semi-conducteurs et le carbone presentent les meilleurs resultats. Les rendements atteints sont proches de 0,5, soit une amelioration de pres de 50% des performances par rapport a des cibles monocouches d'aluminium.
Many Labs 5: Registered Replication of Crosby, Monin, and Richardson (2008)

Crosby, Monin, and Richardson (2008) found that hearing an offensive remark caused subjects (N = 25) to look longer at a potentially offended person, but only if that person could hear the remark. On the basis of this result, they argued that people use social referencing to assess the offensiveness. However, in a direct replication in the Reproducibility Project: Psychology, the result for Crosby et al.’s key effect was not significant. In the current project, we tested whether the size of the social-referencing effect might be increased by a peer-reviewed and preregistered protocol manipulation in which some participants were given context to understand why the remark was potentially offensive. Three labs in Europe and the United States (N = 283) took part. The protocol manipulation did not affect the size of the social-referencing effect. However, we did replicate the original effect reported by Crosby et al., albeit with a much smaller effect size. We discuss these results in the context of ongoing debates about how replication attempts should treat statistical power and contextual sensitivity.
The Radiochemistry of Nuclear Power Plants with Light Water Reactors

In this text, radioactivity and the chemical reactions of radionuclons within the different areas of a nuclear power plant are discussed. The text concentrates on commercially-operated light water reactors which currently represent the greatest faction of the world's nuclear power capacity. In 1994, the total electricity production of such plants corresponded to approximately 17 per cent of the global production. Part A of the text is devoted to a short description of the design of different types of plants in current operation, focusing mainly on those aspects of the plants that are relevant for radionuclide chemistry and behaviour. In Part B, radiochemistry in the primary systems of the plant during normal operation state is discussed. Part C addresses accident conditions, which are different in essential ways as regards to radionuclide chemistry, from normal operating conditions.
Utilisation d’un score de qualité de traduction pour le résumé multi-document cross-lingue (Using translation quality scores for cross-language multi-document summarization)

Le résumé automatique cross-lingue consiste à générer un résumé rédigé dans une langue différente de celle utilisée dans les documents sources. Dans cet article, nous proposons une approche de résumé automatique multi-document, basée sur une représentation par graphe, qui prend en compte des scores de qualité de traduction lors du processus de sélection des phrases. Nous évaluons notre méthode sur un sous-ensemble manuellement traduit des données utilisées lors de la campagne d’évaluation internationale DUC 2004. Les résultats expérimentaux indiquent que notre approche permet d’améliorer la lisibilité des résumés générés, sans pour autant dégrader leur informativité.
Simulation of two-phase flow with varying surface tension.

This thesis is a study on the effects of varying surface tension along an interface separating two fluids. Varying surface tension leads to tangential forces along the interface. This is often called the Marangoni effect. These forces are discussed in detail, and two test cases are considered to analyse the Marangoni effect, and to verify the present implementation. The first test studies steady-state two-phase flow where the fluids are separated with plane interfaces and the flow is driven by a linear surface-tension gradient. The second case is an analysis of the initial forces on a two-dimensional droplet due to a linear surface-tension gradient. The tests indicate that the present implementation is capable of simulating two-phase flow with a given surface-tension gradient. The underlying model is a two-phase flow model for Newtonian fluids with constant viscosity and density. The two-phase model is based on the Navier-Stokes equations coupled with a singular surface force, which together with the difference in fluid properties induces discontinuities across the interface. The Navier-Stokes equations are solved using a projection method, and a combination of the level-set method for capturing the interface and the ghost-fluid method (GFM) for handling the interface discontinuities. The thesis also discusses the effect of surfactants on an interface. The presence of surfactants reduces the local surface tension, and a non-uniform surfactant distribution results in varying surface tension and the Marangoni effect. A surfactant model is reviewed, where an equation of state couples the surface tension to the surfactant concentration and a transport equation is used to solve the surfactant mass-conservation.
Fluid and solute transport in the airspaces of the lungs

Ultrastructure of the distal pulmonary epithelium, Eveline E. Schneeberger and Robert D. Lynch mechanical forces in fluid transport between alveoli and pulmonary interstitium, H.K. Chang et al role of the pulmonary epithelium in governing fluid and solute transport in the lung, Richard M. Effros fluid and electrolyte transport in the isolated lung, G. Basset et al active transport of Na(+) across epithelial monolayers, Gary R. Cott mechanisms of pH homeostasis in alveolar epithelium, Richard L. Lubman and Edward D. Crandall ion channels in lower respiratory tract cells, Elizabeth R. Jacobs and Thomas E. DeCoursey mechanisms of active Na(+) transport across freshly isolated and cultured adult alveolar type II pneumocytes, Sadis Matalon et al specialized alveolar epithelial transport processes, Kwang-Jin Kim and Edward D. Crandall alveolar liquid and protein clearance - in vivo studies, Michael A. Matthay et al fluid secretion and absorption in the foetus, Richard E. Olver absorption of liquid from the lungs at birth, Richard D. Bland and Dale L. Chapman electrolyte concentrations in the epithelial lining fluid, Dennis W. Nielson protein permeability abnormalities in the preterm lung, Alan H. Jobe and Machiko Ikegami movement of fluid and particles between the airspaces and pulmonary interstitium, Robert L. Conhaim nonselective solute transport across the pulmonary epithelium, O. Douglas Wangensteen radioaerosol studies of the pulmonary epithelium, Gerard J. Huchon permeability of and transport by amphibian lung, John T. Gatzy species differences in regulation of sodium transport, Barbara E. Goodman and William F. Waltz.