Miracle-dz/UniFAR-FTUs huggingface dataset:
Reactions between water‐soluble organic acids and nitrates in atmospheric aerosols: Recycling of nitric acid and formation of organic salts

Atmospheric particles often include a complex mixture of nitrate and secondary organic materials accumulated within the same individual particles. Nitrate as an important inorganic component can be chemically formed in the atmosphere. For instance, formation of sodium nitrate (NaNO3) and calcium nitrate (Ca(NO3)2) occurs when nitrogen oxides and nitric acid (HNO3) react with sea salt and calcite, respectively. Organic acids contribute a significant fraction of photochemically formed secondary organics that can condense on the preexisting nitrate‐containing particles. Here we present a systematic microanalysis study on chemical composition of laboratory‐generated particles composed of water‐soluble organic acids and nitrates (i.e., NaNO3 and Ca(NO3)2) using computer‐controlled scanning electron microscopy with energy‐dispersive X‐ray microanalysis and Fourier transform infrared microspectroscopy. The results show that water‐soluble organic acids can react with nitrates and release gaseous HNO3 during the dehydration process. These reactions are attributed to acid displacement of nitrate with weak organic acids driven by the evaporation of HNO3 into gas phase because of its relatively high volatility. The reactions result in significant nitrate depletion and formation of organic salts in mixed organic acids/nitrate particles that, in turn, may affect their physical and chemical properties relevant to atmospheric environment and climate. Airborne nitrate concentrations are estimated by thermodynamic calculations corresponding to various nitrate depletions in selected organic acids of atmospheric relevance. The results indicate a potential mechanism of HNO3 recycling that may further affect concentrations of gas and condensed phase species in the atmosphere and the heterogeneous reaction chemistry between them.
Antimicrobial Effect of Cinnamon Essential Oil Against Escherichia Coli and Staphylococcus aureus

Background: Various studies have been conducted to determine the effects of essential oils and other natural antimicrobials on foodborne pathogens in culture media. Objectives: The present study aimed to determine the antibacterial effects of cinnamon essential oil, monolaurin, nisin, and ethylenediaminetetraacetic acid (EDTA) alone and in combination, in culture media. Materials and Methods: Cinnamon essential oil was analyzed by gas chromatography/mass spectrometry (GC/MS) and the major component was identified as cinnamaldehyde. Broth microdilution assay and agar disk diffusion method were used to evaluate the antibacterial effect of cinnamon essential oil, monolaurin, nisin, and EDTA alone and in combination against Staphylococcus aureus and Escherichia coli. Results: The MIC of cinnamon essential oil, monolaurin, nisin, and EDTA for S. aureus was 3125.00, > 500.00, > 125.00, and > 250.00 µg/ mL, respectively, while the MIC of the aforementioned materials for E. coli was 780.00, 31.25, 15.60, and 250.00 µg/mL. In the present study, S. aureus was found to be more sensitive than E. coli and monolaurin and nisin showed the lowest MIC for E. coli. Increased antimicrobial effect was observed when cinnamon essential oil was used in combination with nisin, monolaurin, and EDTA. Conclusions: The present study showed that cinnamon essential oil when used in combination with nisin, monolaurin or EDTA demonstrated stronger antimicrobial effect against foodborne pathogens than when used alone.
Characterization of HCV Protease Inhibitors : Inhibition and Interaction Studies with Applications for Drug Discovery

To develop efficient and reliable methods for prediction of serum protein binding of drug leads, the kinetic characteristics for the interactions between selected compounds and human serum albumin and α(1)-acid glycoprotein have been explored using a surface plasmon resonance biosensor. Conventional methods for quantification of interactions (i.e., using rate constants or affinities determined on the basis of a reasonable mechanistic model) were applicable for only a few of the compounds. The affinity of a primary interaction and the contribution of lower affinity secondary interactions could be estimated for some compounds, but the affinity of many compounds could not be quantified by either of these methods. To have a quantification method that could be used for all compounds, independent of affinity and complexity of interaction mechanisms, the concept of "binding efficiency," analogous to "catalytic efficiency" used for enzymes, was developed. It allowed the quantification of the binding of compounds interacting with weak affinity and for which saturation is not reached within a concentration range where the compound is soluble or when the influence of interactions with secondary sites makes interpretations difficult. In addition, compounds with large fractional binding can be identified by this strategy and simply quantified relative to reference compounds. This approach will enable ranking and identification of structure-activity relationships of compounds with respect to their serum protein binding profile.
Review of the Effectiveness of Cellulose- and Polysulfone-Based Vitamin E-Bonded Dialysis Membranes

reported positive effects on ERI and anemia management, provide convincing and clinically relevant evidence. Early findings also suggest a better control of inflammatory and oxidative stress parameters. Anticoagulation and IDH are other potentially relevant aspects in the clinical application of VitabranE. These results suggest that VitabranE has superior performance than other synthetic membranes. Further and more comprehensive trials are needed for detailed verification of these clinical outcomes. of in of in comprehensive state of the in each of the
Fundamentals of heat and mass transfer, 2nd edition

This text introduces the physical effects underlying heat and mass transfer phenomena and develops methodologies for solving a variety of real-world problems. It emphasizes the importance of conservation principles, particularly the first law of thermodynamics, in heat transfer analysis, and has been expanded to encompass principles and problems in mass transfer. Includes numerous examples and problems.
Influence of copper exposure on whole‐body sodium levels in larval fathead minnows (Pimephales promelas)

Because metals such as Cu inhibit ionoregulation, the increased energy requirement to counter passive diffusive losses in soft water may translate into increased sensitivity to metal exposure. We developed a method to determine whole‐body Na concentrations of larval fathead minnows (Pimephales promelas) as a physiological indicator of health. This method was used to characterize net rates of Na flux from fish exposed to Cu in the presence of varying levels of hardness and alkalinity. In extremely soft waters (hardness, ≤10 mg/L as CaCO3), larval fish experienced rates of net whole‐body Na loss greater than what has been observed in juvenile and adult fish when exposed to Cu at concentrations near the median lethal concentration. Elevating hardness (>10 mg/L as CaCO3), however, decreased the apparent kinetics of Na loss caused by Cu exposure, which suggests the process was related to uncompetitive inhibition of Cu by hardness cations. Although the percentage of Na loss associated with mortality in larval fish was similar to that in juvenile and adult fish (30% loss of exchangeable Na pool), larvae reached this level within 12 h of exposure, and it was not representative of the onset of mortality. These results suggested that ionoregulatory measures by themselves are not a conclusive metric for Cu regulation using larval fish. To account for increased sensitivity in low‐hardness waters in the development of biotic ligand models, the critical amount of Cu associated with the gill to cause mortality (i.e., the median lethal accumulation value) should be characterized more appropriately as a function of hardness below 20 mg/L as CaCO3.
Optimal tax modeling - The case of alcohol

This project focuses on modeling the optimal alcohol tax for the Czech Republic, based on microeconomic findings on consumer’s behavior. After stating the key statistical facts on alcohol consumption in the Czech Republic, problems of abusive alcohol consumption are identified and an estimate of costs arising from its consumption is calculated. From these costs we identify that part, which is external to the alcohol abuser (e.g. which affects the other members of society). Using the methodology by Anderson and Baumberg (2006), together with macroeconomic data on local alcohol production, we estimate the net external costs of alcohol consumption. The next step focuses on theoretical modeling of optimal alcohol tax for various alcoholic beverages, using an analogy to a method developed by Pogue and Sgotz (1989) and Saffer and Chaplupka (1994). Analyzing several scenarios, we get an insight view to the problem and we state the requirements on empirical data necessary for numerical calculation of optimal tax. Therefore in the next part, we analyze microeconomic behavior of alcohol consumers in the Czech Republic and estimate demand elasticities using AIDS (Almost Ideal Demand System) estimate on data from Household Budget Statistics by Czech Statistical Office. Then, using the results of microeconomic analysis we compare tax induced reduction in external abuse costs to the dead weigh loss to the consumer’s surplus. Taking various assumptions on “social optimality” and consumer behavior and given the elasticities of demand for alcohol, we will create various scenarios for modeling socially optimal taxation. Bibliografický záznam MIKOLÁŠEK, Jakub, 2009, Modelování optimálního zdanění alkoholu. Praha: Karlova Universita v Praze, Fakulta sociálních věd, Institut Ekonomických studií, 2009. 94 s. Vedoucí rigorózní práce: Prof. Karel Janda M.A., Dr., Ph. D.
Effects of Polyethers on the Chitosan-Pd (II) Gel Beads Catalysts Prepared by a Co-Precipitation Method

The effects of polyethers (polyethylene glycol-block-polypropylene glycol-block-polyethylene glycol copolymer (PEG-PPG-PEG) and polyethylene glycol (PEG)) on the chitosan (CS)-Pd (II) gel beads catalysts prepared by a co-precipitation method have been studied. The blending of the polyethers led to an acceleration effect of the sol–gel transition. Fourier transform infrared spectroscopy (FTIR) and scanning electron microscopy (SEM) results showed that most of the blended polyethers component was efficiently, selectively, dissolved by water, but, unexpectedly, no pore structure was obtained. It was found that the blending of the polyethers can promote better phase dispersion of the Pd species in the CS matrix. The extracted CS/PEG-PPG-PEG/Pd gel beads catalysts had higher catalytic performance than extracted CS/PEG/Pd or CS/Pd gel beads catalysts alone due to its better phase dispersion of Pd0 species and stronger intermolecular interactions.
Height-driven linear polarization of the surface emission from quantum dashes

The influence of the nanostructure height on the polarization of the surface emission was systematically investigated for In(Ga)As/InP quantum dashes. Polarization-resolved photoluminescence experiment was compared to theoretical considerations based on the multiband k·p theory and an analytical formula relating the polarization anisotropy to the nano-object geometry was derived. Substantial in-plane structure shape asymmetry induces a pronounced degree of linear polarization in surface emission, which depends strongly not only on the lateral aspect ratio but also on the nanostructure height. Additionally, strongly linearly polarized surface emission (up to 90%) was demonstrated for columnar quantum dashes by combining the in-plane elongation with a significantly increased height.
Softening hard wellwaters with Moringa oleifera seed extracts

A study into the use of Moringa oleifera seed extract in the softening of hard water has been carried out with samples from 17 hand‐dug wells in Kano metropolis, Nigeria. Of the 17 samples tested, 7 contained calcium and magnesium hardness while 10 contained calcium hardness only. The softening dose of Moringa oleifera varied from 700–2000 mg/l and the required dose increased with initial hardness of the samples. The level of softening was found to be directly proportional to the dose used; and water samples with both calcium and magnesium hardness required more Moringa oleifera than samples with only calcium hardness, to achieve the same level of softening. All samples had hardness reduced to ≤ 200 mg/l CaCO3, the highest desirable concentration of hardness in drinking water recommended by the WHO. The softening mechanism was postulated to be a combination of adsorption and precipitation of the soluble hardness causing ions to insoluble solids/flocs. The adsorption isotherm developed was linear and of th.
Bonding State of Silicon in Natural Ferrihydrites by X-Ray Photoelectron Spectroscopy.

The bonding state and distribution of Si in five natural samples and one synthetic sample of coprecipitated siliceous ferrihydrite have been studied by X-ray photoelectron spectroscopy (XPS). For the natural samples, values of the Si 2s peak binding energy indicate that three-dimensional polymerisation of SiO4 tetrahedra is, at most, only poorly developed. In contrast, the value for the synthetic coprecipitated sample suggests a significantly higher degree of three-dimensional SiO4 polymerisation. For all of the natural samples the Fe/Si atomic ratio determined by XPS is comparable to, or slightly larger than, the average bulk ratio, indicating that the Si in these samples is well dispersed throughout or that the outer layers of the ferrihydrite aggregates are slightly depleted in Si. For the synthetic sample the Fe/ Si XPS ratio is markedly smaller than the corresponding bulk ratio indicating surface precipitation of a Si-rich phase. Synthetic samples prepared by coprecipitation of Si and Fe may not be good models for natural siliceous ferrihydrites.
Structural and reduced-form modeling and forecasting with application to Armenia

The thesis deals with structural and reduced-form modeling and forecasting of key macroeconomic variables (real growth of GDP, inflation, exchange rate, and policy interest rate). The central part of the thesis (Chapters 2-4) consists of three chapters. Chapter 2 considers the structural DSGE model and its forecasting possibilities. Chapter 3 considers the dynamic factor model (DFM) and its forecasting possibilities. Finally, Chapter 4 compares these two popular forecasting approaches, and describes which modeling approach gives more accurate and reliable forecasting results.
Principles of Adsorption and Adsorption Processes

List of Symbols. Microporous Adsorbents. Physical Adsorption and the Characterization of Porous Adsorbents. Thermodynamics of Adsorption. Correlation, Analysis, and Prediction of Adsorption Equilibria. Diffusion in Porous Media. Kinetics of Sorption in Batch Systems. Flow Through Packed Beds. Dynamics of Adsorption Columns: Single--Transition Systems. Dynamics of Adsorption Columns: Multiple Transition Systems. Chromatographic Separation Processes. Adsorption Separation Processes: I. Cyclic Batch Systems. Adsorption Separation Processes: II. Continous Counter Current Systems. Appendixes. Index.
The mechanism of racemisation of 5-substituted hydantoins in aqueous solution

This thesis describes our studies of the racemisation of substituted hydantoins and is divided in six chapters. Chapter 1 presents the concepts of chirality and racemisation and its implications in drug development. The literature on the stereolability of 5-substituted hydantoins is summarised. Chapter 2 describes detailed kinetic and mechanistic studies of the racemisation of (5)-5-benzylhydantoin and (5)-3-iV-methyl-5-benzylhydantoin, aimed at establishing the mechanistic aspects of racemisation of these molecules. Kinetics of H/D exchange and racemisation, kinetic isotope effects, and solvent kinetic isotope effects all favour the SeI mechanism of racemisation as opposed to the Se2 process proposed by others. Chapter 3 discusses the effects of structural modifications on the stereolability of a series of model 5-substituted hydantoins with improved water solubility as compared to (iS)-5-benzylhydantoin and (5)-3-A-methyl-5-benzylhydantoin. Hydantoins containing a protonated amino or an ammonium group showed increased stereolability. This finding was attributed to intramolecular facilitation of racemisation by the positive charge. The primary and solvent kinetic isotope effects on the racemisation of two model 5-substituted hydantoins were determined and again supported an SeI mechanism of racemisation. Chapter 4 deals with solvent effects on racemisation and H/D exchange of a series of 5-benzylhydantoins. DMSO added to phosphate buffers showed a marked rate-increasing effect for all of the substrates under study. Co-added 2-propanol and dioxane showed a rate-decreasing effect on neutral hydantoins and a rate-increasing effect on a cationic hydantoin. Solvent effects on the basicity of anionic catalysts and phenomena of preferential solvation were proposed as important factors affecting the rate constants in mixed media. Chapter 5 reports the preliminary results of exploratory experiments aimed at assessing potentials and limitations of VCD and IR spectroscopy for kinetic and mechanistic studies of racemisation. Finally, Chapter 6 summarises our findings and presents recommendation for future work.
Extinction and Scattering Properties of Soot Emitted from Buoyant Turbulent Diffusion Flames. Appendix D

Extinction and scattering properties at wavelengths of 250-5200 nm were studied for soot emitted from buoyant turbulent diffusion flames in the long residence time regime where soot properties are independent of position in the overfire region and characteristic flame residence times. Flames burning in still air and fueled with gas (acetylene, ethylene, propane, and propylene) and liquid (benzene, toluene, cyclohexane, and n-heptane) hydrocarbon fuels were considered. Measured scattering patterns and ratios of total scattering/absorption cross sections were in good agreement with predictions based on the Rayleigh-Debye-Gans (RDG) scattering approximation in the visible. Measured depolarization ratios were roughly correlated by primary particle size parameter, suggesting potential for completing RDG methodology needed to make soot scattering predictions as well as providing a nonintrusive way to measure primary soot particle diameters. Measurements of dimensionless extinction coefficients were in good agreement with earlier measurements for similar soot populations and were independent of fuel type and wavelength except for reduced values as the near ultraviolet was approached. The ratios of the scattering/absorption refractive index functions were independent of fuel type within experimental uncertainties and were in good agreement with earlier measurements. The refractive index junction for absorption was similarly independent of fuel type but was larger than earlier reflectometry measurements in the infrared. Ratios of total scattering/absorption cross sections were relatively large in the visible and near infrared, with maximum values as large as 0.9 and with values as large as 0.2 at 2000 nm, suggesting greater potential for scattering from soot particles to affect flame radiation properties than previously thought.
Measurement of The Temperature Dependence of Radiation Induced Conductivity in Polymeric Dielectrics

This study measures Radiation Induced Conductivity (RIC) in five insulating polymeric materials over temperatures ranging from ~110 K to ~350 K: polyimide (PI or Kapton HNTM and Kapton ETM), polytetraflouroethylene (PTFE or TeflonTM), ethylene-tetraflouroethylene (ETFE or TefzelTM), and Low Density Polyethylene (LDPE). RIC occurs when incident ionizing radiation deposits energy and excites electrons into the conduction band of insulators. Conductivity was measured when a voltage was applied across vacuum-baked, thin film polymer samples in a parallel plate geometry. RIC was calculated as the difference in sample conductivity under no incident radiation and under an incident ~4 MeV electron beam at low incident dose rates of 0.01 rad/sec to 10 rad/sec. The steady-state RIC was found to agree well with the standard power law relation, σ RIC (D) = k RIC (T) DA(T) between conductivity, o RIC and adsorbed dose rate, D. Both the proportionality constant, k RIC , and the power, A, were found to be temperature-dependent above ~250 K, with behavior consistent with photoconductivity models developed for localized trap states in disordered semiconductors. Below ~250 K, k RIC and A exhibited little change in any of the materials.
Soil organic phosphorus fractions in response to long-term fertilization with composted manures under rice–wheat cropping system

ABSTRACT Present investigation evaluates the effect of organic fertilization (OF), integrated nutrient management (INM) practice, and recommended dose of chemical fertilization (CF) on changes in soil organic phosphorus (P) and its fractions under rice (Oryza sativa L.)–wheat (Triticum aestivum L.) cropping system. The 4-year experiment (2009–2013), under split-plot design, showed that OF did not increase the total P or total organic P content of soil under either of the test crops. However, OF maintained the higher level of labile organic P and moderately labile organic P in soil under wheat the moderately stable organic P and highly stable organic P was highest in paddy soil under CF practices (11.34 and 7.77 μg g−1, respectively) followed by wheat. The P concentration in organically grown rice or wheat grain was increased significantly compared with their CF counterparts. The productivity economics for rice and wheat crops showed INM fertilization to be more economical than OF.
Mossbauer effect study of Fe3Sn2

The intermetallic compound Fe3Sn2 has been studied by Mossbauer spectroscopy and magnetisation measurements. This compound is ferromagnetic from approximately 220K to Tc=657K. In this temperature range, the spin directions are close to or parallel to the c axis while at low temperature they are perpendicular to it. The mean magnetic moment is 2.1 mu B per iron atom at 4K. The spread in the 57Fe hyperfine fields is due to anisotropic contributions while the spread in the spin directions at low temperature is related to a weak basal plane anisotropy energy. The transferred fields at the 119Sn nucleus agree with the model deduced from 57Fe Mossbauer spectroscopy.